0104
  -ISIS-  06170510212D

 14 14  0  0  0  0  0  0  0  0999 V2000
    4.3694   -1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3682   -2.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0831   -2.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7995   -2.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7966   -1.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0813   -1.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534   -2.7476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5083   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2208   -1.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9333   -1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -2.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292   -0.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6458   -1.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3583   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  1  0  0  0
  5  6  2  0  0  0  0
 10 12  2  0  0  0  0
  6  1  1  0  0  0  0
 10 13  1  0  0  0  0
  1  2  2  0  0  0  0
 13 14  1  0  0  0  0
A   11
NH2HCl
M  END
$$$$
0105
  -ISIS-  06170510212D

 14 14  0  0  0  0  0  0  0  0999 V2000
    4.2111   -2.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2099   -3.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9247   -4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6412   -3.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6383   -2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9229   -2.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951   -4.0559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625   -2.8083    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7750   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0583   -3.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7708   -1.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875   -2.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2000   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  6  0  0  0
  5  6  2  0  0  0  0
 10 12  2  0  0  0  0
  6  1  1  0  0  0  0
 10 13  1  0  0  0  0
  1  2  2  0  0  0  0
 13 14  1  0  0  0  0
A   11
NH2HCl
M  END
$$$$
0106
  -ISIS-  06170510222D

 21 21  0  0  0  0  0  0  0  0999 V2000
    4.2111   -2.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2099   -3.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9247   -4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6412   -3.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6383   -2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9229   -2.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951   -4.0559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625   -2.8083    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7750   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -3.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7708   -1.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875   -2.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2000   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9040   -3.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6174   -3.1781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9004   -4.4168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6142   -4.8380    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6087   -5.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3273   -4.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3301   -5.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  1  0  0  0
 11 15  1  0  0  0  0
  5  6  2  0  0  0  0
 10 12  2  0  0  0  0
  6  1  1  0  0  0  0
 10 13  1  0  0  0  0
  1  2  2  0  0  0  0
 13 14  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
 15 16  2  0  0  0  0
  5  8  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  8  9  1  0  0  0  0
 18 19  1  0  0  0  0
  4  5  1  0  0  0  0
 18 20  1  0  0  0  0
  9 10  1  0  0  0  0
 18 21  1  0  0  0  0
G   15 11
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7  15  16  17  18  19  20  21
M  SBL   1  1   3
M  SMT   1 boc
M  SBV   1   3   -0.8400    0.0000
M  END
$$$$
0107
  -ISIS-  06170510222D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.7111   -2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7099   -3.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4247   -3.7735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1412   -3.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1383   -2.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4229   -2.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9951   -3.7726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5625   -2.5250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2750   -2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5583   -3.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2708   -1.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9875   -2.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7000   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3833   -3.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7929   -2.6393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7985   -4.0705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6273   -4.0741    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0386   -4.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0386   -3.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4514   -4.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  6  0  0  0
  5  6  2  0  0  0  0
 10 12  2  0  0  0  0
  6  1  1  0  0  0  0
 10 13  1  0  0  0  0
  1  2  2  0  0  0  0
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
 15 16  2  0  0  0  0
  5  8  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  8  9  1  0  0  0  0
 18 19  1  0  0  0  0
  4  5  1  0  0  0  0
 18 20  1  0  0  0  0
  9 10  1  0  0  0  0
 18 21  1  0  0  0  0
G   15 11
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7  15  16  17  18  19  20  21
M  SBL   1  1   9
M  SMT   1 boc
M  SBV   1   9   -0.8300    0.0000
M  END
$$$$
0108
  -ISIS-  06170510222D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -1.7431    0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7443   -0.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1336   -0.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5130   -0.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5159    0.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1354    0.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3632   -0.8559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    0.2250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3292    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -0.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    0.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7849    0.1257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7898   -1.1176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5098   -1.1207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8671   -1.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8671   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2257   -1.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  1  0  0  0
  5  6  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
  6  1  1  0  0  0  0
  1  2  2  0  0  0  0
 13 14  2  0  0  0  0
  2  7  1  0  0  0  0
 13 15  1  0  0  0  0
  3  4  2  0  0  0  0
 15 16  1  0  0  0  0
  5  8  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  8  9  1  0  0  0  0
 16 19  1  0  0  0  0
G   13 11
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7  13  14  15  16  17  18  19
M  SBL   1  1   7
M  SMT   1 boc
M  SBV   1   7   -0.7100    0.0000
M  END
$$$$
0109
  -ISIS-  06170513082D

 15 14  0  0  0  0  0  0  0  0999 V2000
    0.4652   -0.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1007   -0.8144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6749   -0.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4652    0.1731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0311   -0.8144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6749    0.1731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2407   -0.8144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6011   -0.4810    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9302   -1.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2719    0.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1669   -0.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8108   -0.4810    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1399   -1.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3766   -0.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4816    0.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  2  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 10  1  0  0  0  0
  5  8  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 14  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
$$$$
0110
  -ISIS-  06170510232D

 19 19  0  0  0  0  0  0  0  0999 V2000
    4.2111   -2.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2099   -3.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9247   -4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6412   -3.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6383   -2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9229   -2.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951   -4.0559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625   -2.8083    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7750   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0583   -3.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6000   -2.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8833   -3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2929   -2.9226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2985   -4.3539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1273   -4.3575    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.5386   -5.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5386   -3.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9514   -4.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  6  0  0  0
  5  6  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
  6  1  1  0  0  0  0
  1  2  2  0  0  0  0
 13 14  2  0  0  0  0
  2  7  1  0  0  0  0
 13 15  1  0  0  0  0
  3  4  2  0  0  0  0
 15 16  1  0  0  0  0
  5  8  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  8  9  1  0  0  0  0
 16 19  1  0  0  0  0
G   13 11
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7  13  14  15  16  17  18  19
M  SBL   1  1   7
M  SMT   1 boc
M  SBV   1   7   -0.8300    0.0000
M  END
$$$$
0111
  -ISIS-  06170510232D

 20 20  0  0  0  0  0  0  0  0999 V2000
    4.2111   -2.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2099   -3.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9247   -4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6412   -3.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6383   -2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9229   -2.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951   -4.0559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625   -2.8083    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7750   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0583   -3.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7708   -1.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875   -2.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8833   -3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2929   -2.9226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2985   -4.3539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1273   -4.3575    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.5386   -5.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5386   -3.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9514   -4.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  1  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  1  0  0  0
  5  6  2  0  0  0  0
 10 12  2  0  0  0  0
  6  1  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
  1  2  2  0  0  0  0
  2  7  1  0  0  0  0
 14 15  2  0  0  0  0
  3  4  2  0  0  0  0
 14 16  1  0  0  0  0
  5  8  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  8  9  1  0  0  0  0
 17 19  1  0  0  0  0
  4  5  1  0  0  0  0
 17 20  1  0  0  0  0
G   14 11
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7  14  15  16  17  18  19  20
M  SBL   1  1   8
M  SMT   1 boc
M  SBV   1   8   -0.8300    0.0000
M  END
$$$$
0112
  -ISIS-  06170510232D

 20 20  0  0  0  0  0  0  0  0999 V2000
    4.2111   -2.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2099   -3.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9247   -4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6412   -3.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6383   -2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9229   -2.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951   -4.0559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625   -2.8083    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7750   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0583   -3.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7708   -1.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875   -2.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8833   -3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2929   -2.9226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2985   -4.3539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1273   -4.3575    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.5386   -5.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5386   -3.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9514   -4.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  1  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  6  0  0  0
  5  6  2  0  0  0  0
 10 12  2  0  0  0  0
  6  1  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
  1  2  2  0  0  0  0
  2  7  1  0  0  0  0
 14 15  2  0  0  0  0
  3  4  2  0  0  0  0
 14 16  1  0  0  0  0
  5  8  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  8  9  1  0  0  0  0
 17 19  1  0  0  0  0
  4  5  1  0  0  0  0
 17 20  1  0  0  0  0
G   14 11
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7  14  15  16  17  18  19  20
M  SBL   1  1   8
M  SMT   1 boc
M  SBV   1   8   -0.8300    0.0000
M  END
$$$$
0113
  -ISIS-  06170510272D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -3.5306    0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5318   -0.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9378   -0.9402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3422   -0.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3450    0.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9396    0.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1257   -0.9393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7542    0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    0.0958    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5667    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    1.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    0.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  1  0  0  0
  5  6  2  0  0  0  0
 10 12  2  0  0  0  0
  6  1  1  0  0  0  0
 10 13  1  0  0  0  0
  1  2  2  0  0  0  0
 11 14  1  0  0  0  0
A   14
Cbz
M  END
$$$$
0114
  -ISIS-  06170510282D

 14 14  0  0  0  0  0  0  0  0999 V2000
    4.2111   -2.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2099   -3.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9247   -4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6412   -3.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6383   -2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9229   -2.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951   -4.0559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625   -2.8083    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7750   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0583   -3.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7708   -1.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875   -2.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8833   -3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  6  0  0  0
  5  6  2  0  0  0  0
 10 12  2  0  0  0  0
  6  1  1  0  0  0  0
 10 13  1  0  0  0  0
  1  2  2  0  0  0  0
 11 14  1  0  0  0  0
A   14
Cbz
M  END
$$$$
0115
  -ISIS-  06170510242D

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.2694   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2682   -3.7398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0789   -4.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8870   -3.7394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8841   -2.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0771   -2.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4618   -4.2018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4958   -2.7917    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3042   -2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917   -3.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2958   -1.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1083   -2.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9125   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250   -3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  1  0  0  0
  5  6  2  0  0  0  0
 10 12  2  0  0  0  0
  6  1  1  0  0  0  0
 10 13  1  0  0  0  0
  1  2  2  0  0  0  0
 13 14  1  0  0  0  0
  2  7  1  0  0  0  0
 11 15  1  0  0  0  0
A   15
Cbz
M  END
$$$$
0116
  -ISIS-  06170510242D

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.9486   -3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9474   -3.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5206   -4.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0953   -3.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0925   -3.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5188   -2.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3743   -4.1268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625   -2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2333   -3.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8042   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2292   -3.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -2.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750   -3.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9458   -2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  6  0  0  0
  5  6  2  0  0  0  0
 10 12  2  0  0  0  0
  6  1  1  0  0  0  0
 10 13  1  0  0  0  0
  1  2  2  0  0  0  0
 13 14  1  0  0  0  0
  2  7  1  0  0  0  0
 11 15  1  0  0  0  0
A   15
Cbz
M  END
$$$$
0117
  -ISIS-  06170510252D

 14 14  0  0  0  0  0  0  0  0999 V2000
    4.2111   -2.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2099   -3.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9247   -4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6412   -3.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6383   -2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9229   -2.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951   -4.0559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625   -2.8083    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7750   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0583   -3.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7708   -1.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875   -2.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  1  0  0  0
  5  6  2  0  0  0  0
 10 12  2  0  0  0  0
  6  1  1  0  0  0  0
 10 13  1  0  0  0  0
  1  2  2  0  0  0  0
  7 14  1  0  0  0  0
M  END
$$$$
0118
  -ISIS-  06170510252D

 22 22  0  0  0  0  0  0  0  0999 V2000
    4.2111   -2.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2099   -3.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9247   -4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6412   -3.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6383   -2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9229   -2.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951   -4.0559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625   -2.8083    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7750   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0583   -3.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7708   -1.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875   -2.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3125   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8833   -3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2929   -2.9226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2985   -4.3539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1273   -4.3575    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.5386   -5.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5386   -3.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9514   -4.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 11  1  1  0  0  0
  5  6  2  0  0  0  0
 10 12  2  0  0  0  0
  6  1  1  0  0  0  0
 10 13  1  0  0  0  0
  1  2  2  0  0  0  0
  7 14  1  0  0  0  0
 11 16  1  0  0  0  0
  2  7  1  0  0  0  0
 13 15  1  0  0  0  0
  3  4  2  0  0  0  0
  5  8  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  8  9  1  0  0  0  0
 18 19  1  0  0  0  0
  4  5  1  0  0  0  0
 19 20  1  0  0  0  0
  9 10  1  0  0  0  0
 19 21  1  0  0  0  0
  2  3  1  0  0  0  0
 19 22  1  0  0  0  0
G   16 11
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7  16  17  18  19  20  21  22
M  SBL   1  1   8
M  SMT   1 boc
M  SBV   1   8   -0.8300    0.0000
M  END
$$$$
0119
  -ISIS-  06170510262D

 15 15  0  0  0  0  0  0  0  0999 V2000
    4.2111   -2.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2099   -3.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9247   -4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6412   -3.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6383   -2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9229   -2.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951   -4.0559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625   -2.8083    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7750   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0583   -3.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7708   -1.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875   -2.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2000   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -4.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  1  0  0  0
  5  6  2  0  0  0  0
 10 12  2  0  0  0  0
  6  1  1  0  0  0  0
 10 13  1  0  0  0  0
  1  2  2  0  0  0  0
 13 14  1  0  0  0  0
  2  7  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
$$$$
0120
  -ISIS-  06170510262D

 22 22  0  0  0  0  0  0  0  0999 V2000
    4.2111   -2.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2099   -3.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9247   -4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6412   -3.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6383   -2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9229   -2.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951   -4.0559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625   -2.8083    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7750   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0583   -3.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7708   -1.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875   -2.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2000   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -4.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8833   -3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2929   -2.9226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2985   -4.3539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1273   -4.3575    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.5386   -5.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5386   -3.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9514   -4.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 11  1  6  0  0  0
  5  6  2  0  0  0  0
 10 12  2  0  0  0  0
  6  1  1  0  0  0  0
 10 13  1  0  0  0  0
  1  2  2  0  0  0  0
 13 14  1  0  0  0  0
  2  7  1  0  0  0  0
  7 15  1  0  0  0  0
 11 16  1  0  0  0  0
  3  4  2  0  0  0  0
  5  8  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  8  9  1  0  0  0  0
 18 19  1  0  0  0  0
  4  5  1  0  0  0  0
 19 20  1  0  0  0  0
  9 10  1  0  0  0  0
 19 21  1  0  0  0  0
  2  3  1  0  0  0  0
 19 22  1  0  0  0  0
G   16 11
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7  16  17  18  19  20  21  22
M  SBL   1  1  10
M  SMT   1 boc
M  SBV   1  10   -0.8300    0.0000
M  END
$$$$
0121
  -ISIS-  06170510272D

 16 16  0  0  0  0  0  0  0  0999 V2000
    4.2111   -2.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2099   -3.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9247   -4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6412   -3.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6383   -2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9229   -2.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6784   -3.9643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625   -2.8083    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7750   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0583   -3.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7708   -1.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875   -2.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2000   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8833   -3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1354   -3.6641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  1  0  0  0
  5  6  2  0  0  0  0
 10 12  2  0  0  0  0
  6  1  1  0  0  0  0
 10 13  1  0  0  0  0
  1  2  2  0  0  0  0
 13 14  1  0  0  0  0
  2  7  1  0  0  0  0
 11 15  1  0  0  0  0
  3  4  2  0  0  0  0
  7 16  1  0  0  0  0
A   15
Cbz
M  END
$$$$
0122
  -ISIS-  06170510272D

 16 16  0  0  0  0  0  0  0  0999 V2000
    4.1069   -2.8916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1057   -3.6815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7872   -4.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4662   -3.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4633   -2.8880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7854   -2.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4243   -4.0726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8208   -2.8833    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5000   -2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -3.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4958   -1.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -2.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8583   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7333   -3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6042   -3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  6  0  0  0
  5  6  2  0  0  0  0
 10 12  2  0  0  0  0
  6  1  1  0  0  0  0
 10 13  1  0  0  0  0
  1  2  2  0  0  0  0
 13 14  1  0  0  0  0
  2  7  1  0  0  0  0
  7 15  1  0  0  0  0
  3  4  2  0  0  0  0
 11 16  1  0  0  0  0
A   16
Cbz
M  END
$$$$
0123
  -ISIS-  06170509532D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -0.0375   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -0.4917    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3875   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0417   -0.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8125   -0.9000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  2  5  1  1  0  0  0
  5  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
$$$$
0124
  -ISIS-  06170509532D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -0.0375   -0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -0.4917    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3875   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0417   -0.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8125   -0.9000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  2  5  1  6  0  0  0
  5  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
$$$$
0125
  -ISIS-  06170513002D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -0.0375   -0.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -0.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1000   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8125   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3893   -1.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250   -0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  1  0  0  0
  1  2  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
$$$$
0126
  -ISIS-  06170513012D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -0.0375   -0.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -0.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1000   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8125   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3893   -1.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250   -0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  6  0  0  0
  1  2  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
$$$$
0127
  -ISIS-  06170510352D

 12 12  0  0  0  0  0  0  0  0999 V2000
    5.7078   -1.9990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157   -1.1374    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4760   -0.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4760   -0.0635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9995    0.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2805    0.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5588    0.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5607   -0.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2802   -1.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1492   -1.3468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8625   -1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  3  4  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  2  5  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  2  1  1  1  0  0  0
  3 11  1  0  0  0  0
  1 12  1  0  0  0  0
  5  6  2  0  0  0  0
A   12
boc
M  END
$$$$
0128
  -ISIS-  06170510332D

 12 12  0  0  0  0  0  0  0  0999 V2000
    5.7078   -1.9990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157   -1.1374    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4760   -0.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4760   -0.0635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9995    0.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2805    0.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5588    0.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5607   -0.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2802   -1.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1492   -1.3468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8625   -1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  3  4  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  2  5  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  2  1  1  1  0  0  0
  3 11  1  0  0  0  0
  1 12  1  0  0  0  0
  5  6  2  0  0  0  0
A   12
Cbz
M  END
$$$$
0129
  -ISIS-  06170510362D

 12 12  0  0  0  0  0  0  0  0999 V2000
    5.7078   -1.9990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157   -1.1374    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4760   -0.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4760   -0.0635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9995    0.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2805    0.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5588    0.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5607   -0.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2802   -1.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1875   -1.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8990   -1.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  2  0  0  0  0
  2  1  1  1  0  0  0
  6  7  1  0  0  0  0
  2  3  1  0  0  0  0
  7  8  2  0  0  0  0
  3  4  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  3 11  1  0  0  0  0
  2  5  1  0  0  0  0
 11 12  1  0  0  0  0
G   11  3
OMe
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  11  12
M  SBL   1  1  10
M  SMT   1 OMe
M  SBV   1  10   -0.7100    0.4100
M  END
$$$$
0130
  -ISIS-  06170510362D

 12 12  0  0  0  0  0  0  0  0999 V2000
    5.7078   -1.9990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157   -1.1374    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4760   -0.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4760   -0.0635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9995    0.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2805    0.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5588    0.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5607   -0.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2802   -1.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8442    0.5255    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1492   -1.3468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  3  4  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  2  5  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1  2  1  0  0  0  0
  8 11  1  0  0  0  0
  5  6  2  0  0  0  0
  3 12  1  0  0  0  0
M  END
$$$$
0131
  -ISIS-  06170510372D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.9578   -1.4074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9657   -0.5457    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7260   -0.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7260    0.5282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2458   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2495    0.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5305    1.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8088    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8107   -0.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5302   -0.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0942    1.1172    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3992   -0.7551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0208   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3123   -1.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3085   -2.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5895   -3.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8806   -2.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8867   -1.7898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6034   -1.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7300   -1.8212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10  5  1  0  0  0  0
  1  2  1  0  0  0  0
  8 11  1  0  0  0  0
  5  6  2  0  0  0  0
  3 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  3  4  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  2  5  1  0  0  0  0
  9 10  2  0  0  0  0
 14 19  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  2  0  0  0  0
G   13  1
bz
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  8  13  14  15  16  17  18  19  20
M  SBL   1  1   6
M  SMT   1 bz
M  SBV   1   6    0.9300    0.0000
M  END
$$$$
0132
  -ISIS-  06170510372D

 12 12  0  0  0  0  0  0  0  0999 V2000
    5.7078   -1.9990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157   -1.1374    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4760   -0.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4760   -0.0635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9995    0.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2805    0.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5588    0.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5607   -0.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2802   -1.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1492   -1.3468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8472   -1.1370    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  3  4  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  2  5  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1  2  1  0  0  0  0
  3 11  1  0  0  0  0
  5  6  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
$$$$
0133
  -ISIS-  06170510382D

 20 21  0  0  0  0  0  0  0  0999 V2000
    5.2328   -1.5699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2365   -0.8416    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8802   -0.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8802    0.0657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6328    0.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0222    0.5659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4130    0.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4148   -0.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0219   -0.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4492   -1.0218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8139   -0.8412    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9250   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2753   -2.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9666   -2.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3176   -2.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9715   -3.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2763   -3.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9293   -2.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2698   -0.9648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10  5  1  0  0  0  0
  1  2  1  0  0  0  0
  3 11  1  0  0  0  0
  5  6  2  0  0  0  0
  9 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  3  4  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  2  5  1  0  0  0  0
  9 10  2  0  0  0  0
 14 19  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  2  0  0  0  0
G   13  1
bz
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  8  13  14  15  16  17  18  19  20
M  SBL   1  1   6
M  SMT   1 bz
M  SBV   1   6   -0.7000    0.0000
M  END
$$$$
0134
  -ISIS-  06170510392D

 12 12  0  0  0  0  0  0  0  0999 V2000
    5.7078   -1.9990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157   -1.1374    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4760   -0.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4760   -0.0635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9995    0.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2805    0.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5588    0.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5607   -0.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2802   -1.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1492   -1.3468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2820   -1.9605    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  3  4  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  2  5  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1  2  1  0  0  0  0
  3 11  1  0  0  0  0
  5  6  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
$$$$
0136
  -ISIS-  06170510402D

 20 21  0  0  0  0  0  0  0  0999 V2000
    5.7078   -1.9990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157   -1.1374    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4760   -0.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4760   -0.0635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9995    0.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2805    0.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5588    0.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5607   -0.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2802   -1.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1492   -1.3468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8377    0.5293    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9420   -2.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7624   -2.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1759   -3.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7673   -4.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9430   -4.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5334   -3.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9365   -1.2815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10  5  1  0  0  0  0
  1  2  1  0  0  0  0
  3 11  1  0  0  0  0
  1 13  1  0  0  0  0
  5  6  2  0  0  0  0
  8 12  1  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  3  4  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  2  5  1  0  0  0  0
  9 10  2  0  0  0  0
 14 19  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  2  0  0  0  0
G   13  1
bz
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  8  13  14  15  16  17  18  19  20
M  SBL   1  1   4
M  SMT   1 bz
M  SBV   1   4   -0.8200    0.0000
M  END
$$$$
0137
  -ISIS-  06170510412D

 19 19  0  0  0  0  0  0  0  0999 V2000
    5.7703   -1.9699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7782   -1.1082    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5385   -0.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5385   -0.0343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0583   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0620    0.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3430    0.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6213    0.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6232   -0.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3427   -1.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9067    0.5547    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2117   -1.3176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9967   -1.2574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0078   -2.6824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8330   -2.6828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2453   -3.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2398   -1.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6535   -2.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1  2  1  0  0  0  0
  8 11  1  0  0  0  0
  5  6  2  0  0  0  0
  3 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
 13 14  2  0  0  0  0
  3  4  2  0  0  0  0
 13 15  1  0  0  0  0
  7  8  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  8  9  1  0  0  0  0
 16 18  1  0  0  0  0
  2  5  1  0  0  0  0
 16 19  1  0  0  0  0
G   13  1
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7  13  14  15  16  17  18  19
M  SBL   1  1   7
M  SMT   1 boc
M  SBV   1   7   -0.8300    0.0000
M  END
$$$$
0138
  -ISIS-  06170510412D

 13 13  0  0  0  0  0  0  0  0999 V2000
    5.7078   -1.9990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157   -1.1374    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4760   -0.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4760   -0.0635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9995    0.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2805    0.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5588    0.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5607   -0.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2802   -1.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1492   -1.3468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2820   -1.9605    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  1  0  0  0  0
  3  4  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  2  5  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1  2  1  0  0  0  0
  3 11  1  0  0  0  0
  5  6  2  0  0  0  0
 10 12  1  0  0  0  0
  2  3  1  0  0  0  0
  1 13  1  0  0  0  0
A   13
Cbz
M  END
$$$$
0139
  -ISIS-  06170510422D

 19 19  0  0  0  0  0  0  0  0999 V2000
    5.7411   -2.0615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7490   -1.1999    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5093   -0.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5093   -0.1260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0328    0.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3138    0.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5922    0.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5940   -0.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3136   -1.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1826   -1.4093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154   -2.0230    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5625   -2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9675   -1.3491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9787   -2.7741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8039   -2.7745    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2161   -3.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2106   -2.0663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6243   -2.7629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1  2  1  0  0  0  0
  3 11  1  0  0  0  0
  1 13  1  0  0  0  0
  5  6  2  0  0  0  0
 10 12  1  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
 13 14  2  0  0  0  0
  3  4  2  0  0  0  0
 13 15  1  0  0  0  0
  7  8  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  8  9  1  0  0  0  0
 16 18  1  0  0  0  0
  2  5  1  0  0  0  0
 16 19  1  0  0  0  0
G   13  1
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7  13  14  15  16  17  18  19
M  SBL   1  1   5
M  SMT   1 boc
M  SBV   1   5   -0.8300    0.0000
M  END
$$$$
0140
  -ISIS-  06170510552D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.7514   -1.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1746   -0.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7640    0.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9314    0.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5113   -0.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9243   -1.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6786   -2.1574    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6448   -1.2499    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4552   -0.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4760   -0.0635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1492   -1.3468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0500   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2333   -2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  0  0  0  0
  5  6  2  0  0  0  0
  8 12  1  0  0  0  0
 12  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 13  1  0  0  0  0
A   13
Cbz
M  END
$$$$
0141
  -ISIS-  06170510562D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.7514   -1.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1746   -0.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7640    0.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9314    0.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5113   -0.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9243   -1.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5828   -2.0949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6157   -1.2832    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4552   -0.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4760   -0.0635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1492   -1.3468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6717   -1.3824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6828   -2.8074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5080   -2.8078    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9203   -3.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9148   -2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3285   -2.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  2  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  0  0  0  0
  5  6  2  0  0  0  0
  8 12  1  0  0  0  0
 12  2  1  0  0  0  0
  7 13  1  0  0  0  0
  6  1  1  0  0  0  0
  1  2  2  0  0  0  0
 13 14  2  0  0  0  0
  3  4  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
  4  5  1  0  0  0  0
 16 17  1  0  0  0  0
  8  7  1  1  0  0  0
 16 18  1  0  0  0  0
  8  9  1  0  0  0  0
 16 19  1  0  0  0  0
G   13  7
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7  13  14  15  16  17  18  19
M  SBL   1  1   7
M  SMT   1 boc
M  SBV   1   7   -0.6900    0.0000
M  END
$$$$
0142
  -ISIS-  06170510562D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.7514   -1.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1746   -0.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7640    0.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9314    0.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5113   -0.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9243   -1.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5203   -1.9074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5532   -1.2499    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3927   -0.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3927   -0.0010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667   -1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1492   -1.3468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8200   -1.8206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
  2  3  1  0  0  0  0
  8 11  1  0  0  0  0
 11  2  1  0  0  0  0
  5  6  2  0  0  0  0
  7 12  1  0  0  0  0
  6  1  1  0  0  0  0
  1  2  2  0  0  0  0
 13 14  1  0  0  0  0
A   12
Cbz
G   13  9
OMe
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  13  14
M  SBL   1  1   6
M  SMT   1 OMe
M  SBV   1   6   -0.7500    0.6000
M  END
$$$$
0143
  -ISIS-  06170510572D

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.7514   -1.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1746   -0.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7640    0.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9314    0.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5113   -0.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9243   -1.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8036   -2.1865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8032   -1.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4552   -0.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4552    0.2199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1117   -1.3093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7825   -1.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7967   -1.4449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8078   -2.8699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6330   -2.8703    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0453   -3.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0398   -2.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4535   -2.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 12  1  0  0  0  0
  2  3  1  0  0  0  0
  8 11  1  0  0  0  0
 11  2  1  0  0  0  0
  7 14  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
 12 13  1  0  0  0  0
  1  2  2  0  0  0  0
  3  4  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  4  5  1  0  0  0  0
 16 17  1  0  0  0  0
  8  7  1  1  0  0  0
 17 18  1  0  0  0  0
  8  9  1  0  0  0  0
 17 19  1  0  0  0  0
  9 10  2  0  0  0  0
 17 20  1  0  0  0  0
G   12  9
OMe
G   14  7
boc
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  2  12  13
M  SBL   1  1   1
M  SMT   1 OMe
M  SBV   1   1   -0.6500    0.5600
M  SAL   2  7  14  15  16  17  18  19  20
M  SBL   2  1   5
M  SMT   2 boc
M  SBV   2   5   -0.5900   -0.0300
M  END
$$$$
0144
  -ISIS-  06170510572D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -1.0488   -1.8397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8762   -1.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2863   -2.5582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8702   -3.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0397   -3.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6333   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8578   -3.8990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8657   -3.0374    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6260   -2.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6260   -1.9635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2992   -3.2468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1946   -2.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6393   -1.1236    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  0  0  0  0
  5  6  2  0  0  0  0
  8 12  1  0  0  0  0
 12  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1 13  1  0  0  0  0
M  END
$$$$
0145
  -ISIS-  06170510582D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -1.1447   -1.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9720   -1.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3822   -2.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9660   -3.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1355   -3.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7292   -2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7619   -3.8699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7698   -3.0082    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5302   -2.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5302   -1.9343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2034   -3.2176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0988   -2.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3917   -1.0958    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  0  0  0  0
  5  6  2  0  0  0  0
  8 12  1  0  0  0  0
 12  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2 13  1  0  0  0  0
M  END
$$$$
0146
  -ISIS-  06170510582D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -1.2072   -1.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0345   -1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4447   -2.4957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0285   -3.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1980   -3.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7917   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6994   -3.8365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7073   -2.9749    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4677   -2.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4677   -1.9010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1409   -3.1843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0363   -2.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708   -2.4875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  0  0  0  0
  5  6  2  0  0  0  0
  8 12  1  0  0  0  0
 12  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3 13  1  0  0  0  0
M  END
$$$$
0147
  -ISIS-  06170510592D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.4262    0.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5988    0.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1887   -0.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6048   -1.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4353   -1.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3328   -1.8115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3407   -0.9499    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1010   -0.6824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1010    0.1240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7742   -1.1593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6696   -0.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8357    0.9639    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5592   -1.0991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5703   -2.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3955   -2.5245    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8078   -3.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8023   -1.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2160   -2.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  0  0  0  0
  7 14  1  0  0  0  0
  5  6  2  0  0  0  0
  8 12  1  0  0  0  0
 12  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1 13  1  0  0  0  0
  1  2  2  0  0  0  0
  3  4  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  4  5  1  0  0  0  0
 16 17  1  0  0  0  0
  7  8  1  0  0  0  0
 17 18  1  0  0  0  0
  8  9  1  0  0  0  0
 17 19  1  0  0  0  0
  9 10  2  0  0  0  0
 17 20  1  0  0  0  0
G   14  7
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7  14  15  16  17  18  19  20
M  SBL   1  1   3
M  SMT   1 boc
M  SBV   1   3   -0.8300    0.0000
M  END
$$$$
0148
  -ISIS-  06170510592D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.7330   -1.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1610   -0.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7551    0.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9226    0.3039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4977   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9060   -1.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9859   -0.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -1.7824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6532   -0.9207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4135   -0.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4135    0.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0867   -1.1301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4867   -1.8486    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8717   -1.0699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8828   -2.4949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7080   -2.4953    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1203   -3.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148   -1.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5285   -2.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  5  6  2  0  0  0  0
 10 12  1  0  0  0  0
  8 14  1  0  0  0  0
  9  7  1  0  0  0  0
  6  1  1  0  0  0  0
  6 13  1  0  0  0  0
  1  2  2  0  0  0  0
  2  7  1  0  0  0  0
 14 15  2  0  0  0  0
  3  4  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
  4  5  1  0  0  0  0
 17 18  1  0  0  0  0
  2  3  1  0  0  0  0
 17 19  1  0  0  0  0
  8  9  1  0  0  0  0
 17 20  1  0  0  0  0
G   14  8
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7  14  15  16  17  18  19  20
M  SBL   1  1   5
M  SMT   1 boc
M  SBV   1   5   -0.8200    0.0000
M  END
$$$$
0149
  -ISIS-  06170510592D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.7330   -1.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1610   -0.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7551    0.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9226    0.3039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4977   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9060   -1.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9859   -0.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -1.7824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6532   -0.9207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4885   -0.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5177    0.2824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2367   -1.0593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6708   -0.4125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8717   -1.0699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8828   -2.4949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7080   -2.4953    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1203   -3.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148   -1.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5285   -2.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  5  6  2  0  0  0  0
 10 12  1  0  0  0  0
  8 14  1  0  0  0  0
  9  7  1  0  0  0  0
  6  1  1  0  0  0  0
  5 13  1  0  0  0  0
  1  2  2  0  0  0  0
  2  7  1  0  0  0  0
 14 15  2  0  0  0  0
  3  4  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
  4  5  1  0  0  0  0
 17 18  1  0  0  0  0
  2  3  1  0  0  0  0
 17 19  1  0  0  0  0
  8  9  1  0  0  0  0
 17 20  1  0  0  0  0
G   14  8
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7  14  15  16  17  18  19  20
M  SBL   1  1   5
M  SMT   1 boc
M  SBV   1   5   -0.8200    0.0000
M  END
$$$$
0150
  -ISIS-  08080520042D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4262    0.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5988    0.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1887   -0.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6048   -1.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4353   -1.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3328   -1.8115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3407   -0.9499    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1010   -0.6824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1010    0.1240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7742   -1.1593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6696   -0.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  1  2  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  4  5  1  0  0  0  0
  9 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12  6  1  0  0  0  0
  5  6  2  0  0  0  0
  7 13  1  0  0  0  0
A   13
Cbz
M  END
$$$$
0151
  -ISIS-  06170511002D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4262    0.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5988    0.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1887   -0.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6048   -1.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4353   -1.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3328   -1.8115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3407   -0.9499    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1010   -0.6824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1010    0.1240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7742   -1.1593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6696   -0.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    0.9083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  0  0  0  0
  5  6  2  0  0  0  0
  8 12  1  0  0  0  0
 12  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7 13  1  0  0  0  0
  1  2  2  0  0  0  0
  2 14  1  0  0  0  0
A   13
Cbz
M  END
$$$$
0152
  -ISIS-  06170511052D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4262    0.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5988    0.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1887   -0.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6048   -1.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4353   -1.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3328   -1.8115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3407   -0.9499    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1010   -0.6824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1010    0.1240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7742   -1.1593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6696   -0.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -0.4625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  0  0  0  0
  5  6  2  0  0  0  0
  8 12  1  0  0  0  0
 12  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7 13  1  0  0  0  0
  1  2  2  0  0  0  0
  3 14  1  0  0  0  0
A   13
Cbz
M  END
$$$$
0153
  -ISIS-  06170510452D

 12 12  0  0  0  0  0  0  0  0999 V2000
    5.6369   -1.9532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6448   -1.0916    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4052   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4052   -0.0176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9250   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9286    0.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2097    0.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4880    0.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4898   -0.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2094   -1.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0784   -1.3009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2112   -1.9146    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  3  4  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  2  5  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1  2  1  0  0  0  0
  3 11  1  0  0  0  0
  5  6  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
$$$$
0154
  -ISIS-  06170510462D

 12 12  0  0  0  0  0  0  0  0999 V2000
    5.7078   -1.9990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157   -1.1374    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4760   -0.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4760   -0.0635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9995    0.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2805    0.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5588    0.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5607   -0.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2802   -1.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1492   -1.3468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8377   -1.1425    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  3  4  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  2  5  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1  2  1  0  0  0  0
  3 11  1  0  0  0  0
  5  6  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
$$$$
0155
  -ISIS-  06170510462D

 12 12  0  0  0  0  0  0  0  0999 V2000
    5.7078   -1.9990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157   -1.1374    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4760   -0.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4760   -0.0635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9995    0.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2805    0.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5588    0.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5607   -0.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2802   -1.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8442    0.5255    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.1492   -1.3468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  3  4  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  2  5  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1  2  1  0  0  0  0
  8 11  1  0  0  0  0
  5  6  2  0  0  0  0
  3 12  1  0  0  0  0
M  END
$$$$
0156
  -ISIS-  06170510472D

 20 21  0  0  0  0  0  0  0  0999 V2000
    5.7078   -1.9990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157   -1.1374    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4760   -0.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4760   -0.0635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9995    0.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2805    0.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5588    0.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5607   -0.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2802   -1.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1492   -1.3468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2820   -1.9605    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9420   -2.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7624   -2.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1759   -3.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7673   -4.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9430   -4.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5334   -3.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9365   -1.2815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10  5  1  0  0  0  0
  1  2  1  0  0  0  0
  3 11  1  0  0  0  0
  5  6  2  0  0  0  0
 10 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  3  4  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  2  5  1  0  0  0  0
  9 10  2  0  0  0  0
 14 19  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  2  0  0  0  0
G   13  1
bz
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  8  13  14  15  16  17  18  19  20
M  SBL   1  1   6
M  SMT   1 bz
M  SBV   1   6   -0.8200    0.0000
M  END
$$$$
0157
  -ISIS-  06170510472D

 20 21  0  0  0  0  0  0  0  0999 V2000
    5.7078   -1.9990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157   -1.1374    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4760   -0.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4760   -0.0635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9995    0.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2805    0.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5588    0.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5607   -0.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2802   -1.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1492   -1.3468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8472   -1.1370    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   -1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4682   -1.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6406   -1.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2291   -0.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6468    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4784    0.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8860   -0.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4627   -2.7132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10  5  1  0  0  0  0
  1  2  1  0  0  0  0
  3 11  1  0  0  0  0
  5  6  2  0  0  0  0
  9 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  3  4  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  2  5  1  0  0  0  0
  9 10  2  0  0  0  0
 14 19  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  2  0  0  0  0
G   13  1
bz
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  8  13  14  15  16  17  18  19  20
M  SBL   1  1   6
M  SMT   1 bz
M  SBV   1   6    0.8300    0.0000
M  END
$$$$
0158
  -ISIS-  06170510472D

 13 13  0  0  0  0  0  0  0  0999 V2000
    5.7078   -1.9990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157   -1.1374    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4760   -0.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4760   -0.0635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9995    0.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2805    0.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5588    0.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5607   -0.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2802   -1.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8442    0.5255    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.1492   -1.3468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  1  0  0  0  0
  3  4  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  2  5  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1  2  1  0  0  0  0
  8 11  1  0  0  0  0
  5  6  2  0  0  0  0
  3 12  1  0  0  0  0
  2  3  1  0  0  0  0
  1 13  1  0  0  0  0
A   13
PhCH2
M  END
$$$$
0159
  -ISIS-  06170510542D

 19 19  0  0  0  0  0  0  0  0999 V2000
    5.7078   -1.9990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157   -1.1374    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4760   -0.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4760   -0.0635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9995    0.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2805    0.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5588    0.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5607   -0.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2802   -1.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8442    0.5255    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.1492   -1.3468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9342   -1.2866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9453   -2.7116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7705   -2.7120    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.1828   -3.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1773   -2.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5910   -2.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1  2  1  0  0  0  0
  8 11  1  0  0  0  0
  5  6  2  0  0  0  0
  3 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
 13 14  2  0  0  0  0
  3  4  2  0  0  0  0
 13 15  1  0  0  0  0
  7  8  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  8  9  1  0  0  0  0
 16 18  1  0  0  0  0
  2  5  1  0  0  0  0
 16 19  1  0  0  0  0
G   13  1
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7  13  14  15  16  17  18  19
M  SBL   1  1   7
M  SMT   1 boc
M  SBV   1   7   -0.8200    0.0000
M  END
$$$$
0160
  -ISIS-  06170510552D

 13 13  0  0  0  0  0  0  0  0999 V2000
    5.5828   -1.9657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5907   -1.1041    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3510   -0.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3510   -0.0301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8708   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8745    0.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1555    0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4338    0.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4357   -0.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1552   -1.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7192    0.5589    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.0242   -1.3134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  1  0  0  0  0
  3  4  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  2  5  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1  2  1  0  0  0  0
  8 11  1  0  0  0  0
  5  6  2  0  0  0  0
  3 12  1  0  0  0  0
  2  3  1  0  0  0  0
  1 13  1  0  0  0  0
A   13
Cbz
M  END
$$$$
0161
  -ISIS-  06170510552D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.7330   -1.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1610   -0.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7551    0.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9226    0.3039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4977   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9060   -1.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9859   -0.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -1.7824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6532   -0.9207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4135   -0.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4135    0.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0867   -1.1301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1360   -1.8665    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8717   -1.0699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8828   -2.4949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7080   -2.4953    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1203   -3.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148   -1.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5285   -2.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  5  6  2  0  0  0  0
 10 12  1  0  0  0  0
  8 14  1  0  0  0  0
  9  7  1  0  0  0  0
  6  1  1  0  0  0  0
  1 13  1  0  0  0  0
  1  2  2  0  0  0  0
  2  7  1  0  0  0  0
 14 15  2  0  0  0  0
  3  4  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
  4  5  1  0  0  0  0
 17 18  1  0  0  0  0
  2  3  1  0  0  0  0
 17 19  1  0  0  0  0
  8  9  1  0  0  0  0
 17 20  1  0  0  0  0
G   14  8
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7  14  15  16  17  18  19  20
M  SBL   1  1   5
M  SMT   1 boc
M  SBV   1   5   -0.8200    0.0000
M  END
$$$$
0162
  -ISIS-  06170511052D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.7330   -1.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1610   -0.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7551    0.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9226    0.3039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4977   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9060   -1.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9859   -0.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -1.7824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6532   -0.9207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4135   -0.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4135    0.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0867   -1.1301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4867   -1.8486    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8717   -1.0699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8828   -2.4949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7080   -2.4953    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1203   -3.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148   -1.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5285   -2.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  5  6  2  0  0  0  0
 10 12  1  0  0  0  0
  8 14  1  0  0  0  0
  9  7  1  0  0  0  0
  6  1  1  0  0  0  0
  6 13  1  0  0  0  0
  1  2  2  0  0  0  0
  2  7  1  0  0  0  0
 14 15  2  0  0  0  0
  3  4  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
  4  5  1  0  0  0  0
 17 18  1  0  0  0  0
  2  3  1  0  0  0  0
 17 19  1  0  0  0  0
  8  9  1  0  0  0  0
 17 20  1  0  0  0  0
G   14  8
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7  14  15  16  17  18  19  20
M  SBL   1  1   5
M  SMT   1 boc
M  SBV   1   5   -0.8200    0.0000
M  END
$$$$
0163
  -ISIS-  06170511062D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.7330   -1.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1610   -0.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7551    0.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9226    0.3039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4977   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9060   -1.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9859   -0.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -1.7824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6532   -0.9207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4135   -0.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4135    0.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0867   -1.1301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4667   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1360   -1.8665    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  2  3  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  5  6  2  0  0  0  0
 10 12  1  0  0  0  0
  8 13  1  0  0  0  0
  6  1  1  0  0  0  0
  9  7  1  0  0  0  0
  1  2  2  0  0  0  0
  1 14  1  0  0  0  0
A   13
cbz
M  END
$$$$
0164
  -ISIS-  06170511062D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.1095   -0.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4196   -0.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0803   -0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4256   -1.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1186   -1.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4583   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6994   -1.9407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7073   -1.2207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3385   -0.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3385   -0.3260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9034   -1.3968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1488   -0.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3833   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0829   -2.0185    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  0  0  0  0
  5  6  2  0  0  0  0
  8 12  1  0  0  0  0
 12  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7 13  1  0  0  0  0
  1  2  2  0  0  0  0
  4 14  1  0  0  0  0
A   13
Cbz
M  END
$$$$
0165
  -ISIS-  06170513052D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.4494    0.5891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8806    0.0805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1934   -0.6183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9513   -0.5358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1076    0.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8031    0.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4161    0.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1075    0.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7205   -0.0669    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  2  3  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  2  1  0  0  0  0
  7  8  1  0  0  0  0
  3  4  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
$$$$
0166
  -ISIS-  06170513052D

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.4494    0.5891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8806    0.0805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1934   -0.6183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9513   -0.5358    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.1076    0.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8031    0.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4161    0.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1075    0.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7205   -0.0669    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  2  0  0  0  0
  2  3  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  2  1  0  0  0  0
  7  8  1  0  0  0  0
  3  4  1  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
M  END
$$$$
0167
  -ISIS-  06170513062D

 14 15  0  0  0  0  0  0  0  0999 V2000
    6.5911   -0.3150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0223   -0.8278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3309   -1.5225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0888   -1.4441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2493   -0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9406   -0.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536   -0.8334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2492   -0.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.9711    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    9.8574   -1.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5794   -1.9639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0231   -1.3508    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5801   -0.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7814   -1.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  1  0  0  0  0
  1  2  1  0  0  0  0
  7  8  1  0  0  0  0
  3  4  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  2  3  2  0  0  0  0
  5  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 12 14  1  6  0  0  0
M  END
$$$$
0168
  -ISIS-  06170509222D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0202    0.1183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5527   -0.3945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2400   -1.0933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5221   -1.0149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6826   -0.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3781    0.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9953   -0.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6908   -0.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3080   -0.5419    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250   -1.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  2  1  0  0  0  0
  7  8  1  0  0  0  0
  3  4  1  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  5  1  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
$$$$
0169
  -ISIS-  06170509222D

 13 14  0  0  0  0  0  0  0  0999 V2000
    5.1952    0.2266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5765   -0.3278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9142   -1.0850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7388   -0.9983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9118   -0.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6656    0.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3328   -0.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0867   -0.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7538   -0.4878    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    9.2833    0.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3333   -1.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1083    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042   -1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  1  0  0  0  0
  1  2  1  0  0  0  0
  7  8  1  0  0  0  0
  3  4  1  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  5  1  2  0  0  0  0
  9 11  1  0  0  0  0
  2  3  2  0  0  0  0
 10 12  1  0  0  0  0
  5  6  1  0  0  0  0
 12 13  1  0  0  0  0
 13 11  1  0  0  0  0
M  END
$$$$
0170
  -ISIS-  06170509232D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -0.0464    0.1350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6652   -0.4195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3275   -1.1766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4971   -1.0899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6701   -0.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4240    0.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0911   -0.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8450   -0.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5122   -0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917    0.0083    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    4.6750   -0.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042    0.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  2  1  0  0  0  0
  7  8  1  0  0  0  0
  3  4  1  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  5  1  2  0  0  0  0
 10 11  1  0  0  0  0
  2  3  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
$$$$
0171
  -ISIS-  06170513012D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.1983   -1.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9110   -2.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2297   -2.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8356   -2.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1208   -2.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7998   -1.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7245   -2.3102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8753   -1.3272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5568   -0.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9444   -3.4229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6595   -3.9564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3073   -2.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6980   -2.4147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  3 10  1  0  0  0  0
  2 12  1  0  0  0  0
  1  2  2  0  0  0  0
  5  7  1  0  0  0  0
  3  4  2  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
  2  3  1  0  0  0  0
 10 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
 12 13  2  0  0  0  0
G    8  1
OMe
G   10  3
OMe
G   12  2
CHO
M  STY  3   1 SUP   2 SUP   3 SUP
M  SLB  3   1   1   2   2   3   3
M  SAL   1  2   8   9
M  SBL   1  1   1
M  SMT   1 OMe
M  SBV   1   1    0.3200   -0.5100
M  SAL   2  2  10  11
M  SBL   2  1   2
M  SMT   2 OMe
M  SBV   2   2    0.2800    0.5400
M  SAL   3  2  12  13
M  SBL   3  1   3
M  SMT   3 CHO
M  SBV   3   3    0.6000    0.0200
M  END
$$$$
0172
  -ISIS-  06170513012D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.3816   -1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0568   -2.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4214   -2.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1231   -2.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -2.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790   -1.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1453   -2.0977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0170   -0.9605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6485   -0.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0903   -3.3812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7678   -3.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3573   -2.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9908   -1.6035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0273   -2.8151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3 10  1  0  0  0  0
  2 12  1  0  0  0  0
  1  2  2  0  0  0  0
  5  7  1  0  0  0  0
  3  4  2  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
  2  3  1  0  0  0  0
 10 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  8  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
G   10  3
OMe
G    8  1
OMe
G   12  2
COOH
M  STY  3   1 SUP   2 SUP   3 SUP
M  SLB  3   1   1   2   2   3   3
M  SAL   1  2  10  11
M  SBL   1  1   1
M  SMT   1 OMe
M  SBV   1   1    0.3400    0.6100
M  SAL   2  2   8   9
M  SBL   2  1  12
M  SMT   2 OMe
M  SBV   2  12    0.3600   -0.6000
M  SAL   3  3  12  13  14
M  SBL   3  1   2
M  SMT   3 COOH
M  SBV   3   2    0.7000    0.0200
M  END
$$$$
0173
  -ISIS-  06170513002D

 10  9  0  0  0  0  0  0  0  0999 V2000
    1.9250   -2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0625   -3.2083    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    3.6814   -3.9964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4303   -2.3123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7750   -3.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4995   -2.8059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140   -4.0400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  2  0  0  0  0
  2  3  1  0  0  0  0
  4  7  1  0  0  0  0
  3  4  1  0  0  0  0
  1  2  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
G    8  1
COOH
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3   8   9  10
M  SBL   1  1   1
M  SMT   1 COOH
M  SBV   1   1    0.7100    0.4100
M  END
$$$$
0174
  -ISIS-  06170513022D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.2566   -0.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9068   -1.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2922   -2.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0273   -2.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3708   -1.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9832   -0.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8712   -0.2022    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9486   -2.7396    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1036   -1.3935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1708   -0.0875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3875   -2.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1781   -1.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5562   -1.5188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  2  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  2 12  1  0  0  0  0
  5  9  1  0  0  0  0
  4  5  1  0  0  0  0
  6 10  1  0  0  0  0
  2  3  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
 12 13  2  0  0  0  0
G   12  2
CHO
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  12  13
M  SBL   1  1   5
M  SMT   1 CHO
M  SBV   1   5    0.7300    0.0200
M  END
$$$$
0175
  -ISIS-  06170513022D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.2274   -0.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8818   -1.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2672   -2.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9981   -2.0734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -1.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9582   -0.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8462   -0.2105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9236   -2.7396    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0703   -1.3977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -0.0958    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3583   -2.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1507   -1.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2318   -0.8796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1952   -2.1494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  5  9  1  0  0  0  0
  4  5  1  0  0  0  0
  6 10  1  0  0  0  0
  2  3  1  0  0  0  0
  4 11  1  0  0  0  0
  2 12  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
G   12  2
COOH
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  12  13  14
M  SBL   1  1   9
M  SMT   1 COOH
M  SBV   1   9    0.7200    0.0200
M  END
$$$$
0176
  -ISIS-  08080521362D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.4136    1.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6557    2.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4075    2.0092    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6486    1.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0231    0.8348    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9489    2.5506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0292    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3740   -0.3136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6995   -0.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7089   -1.0758    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3741   -1.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0547   -1.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7072   -1.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3417    3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0987    2.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4240    3.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9836    3.8234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9782    2.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0975    3.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  8 10  1  0  0  0  0
  5  1  1  0  0  0  0
 10 11  1  0  0  0  0
  2  3  1  0  0  0  0
 11 12  1  0  0  0  0
  3  6  1  6  0  0  0
 11 13  1  0  0  0  0
  5  8  1  0  0  0  0
 11 14  1  0  0  0  0
 15 16  2  0  0  0  0
  6  7  1  0  0  0  0
 17 18  1  0  0  0  0
  7 15  1  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  8  9  2  0  0  0  0
 15 20  1  0  0  0  0
 16 19  1  0  0  0  0
 19 17  2  0  0  0  0
 18 20  2  0  0  0  0
G    8  5
boc
G   15  7
Ph
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  7   8   9  10  11  12  13  14
M  SBL   1  1   9
M  SMT   1 boc
M  SBV   1   9    0.0000    0.7600
M  SAL   2  6  15  16  17  18  19  20
M  SBL   2  1  14
M  SMT   2 Ph
M  SBV   2  14   -0.8800    0.0000
M  END
$$$$
0177
  -ISIS-  06170512072D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -0.4136    1.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6557    2.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4075    2.0092    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6486    1.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0231    0.8348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9489    2.5506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3417    3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0987    2.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4240    3.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9836    3.8234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9782    2.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0975    3.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  1  2  1  0  0  0  0
  9 10  2  0  0  0  0
  3  4  1  0  0  0  0
 11 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  6  0  0  0
  9 14  1  0  0  0  0
 10 13  1  0  0  0  0
 13 11  2  0  0  0  0
 12 14  2  0  0  0  0
A    8
H^Cl
G    9  7
Ph
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  6   9  10  11  12  13  14
M  SBL   1  1   2
M  SMT   1 Ph
M  SBV   1   2   -0.8800    0.0000
M  END
$$$$
0178
  -ISIS-  06170513022D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.9691   -1.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6527   -1.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0047   -2.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6815   -2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6415   -1.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6128   -0.4563    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6861   -2.7937    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6703   -1.5518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125   -0.3500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0125   -2.7583    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4125   -1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958   -1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -1.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9940   -0.8746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0243   -1.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  9  1  0  0  0  0
  4  5  1  0  0  0  0
  6 10  1  0  0  0  0
  2  3  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  9 12  1  0  0  0  0
  6  1  1  0  0  0  0
 12 13  1  0  0  0  0
  1  7  1  0  0  0  0
 13 14  1  0  0  0  0
  1  2  2  0  0  0  0
 14 15  1  0  0  0  0
  3  8  1  0  0  0  0
 15 16  1  0  0  0  0
  3  4  2  0  0  0  0
 15 17  2  0  0  0  0
  2 18  1  0  0  0  0
A   18
HOCH2
M  END
$$$$
0179
  -ISIS-  06170513072D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.4119   -1.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1319   -2.0778    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1642   -2.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8846   -2.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0368   -1.9541    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.6948   -1.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7209   -0.8838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3463   -1.9520    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.4942   -2.6530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2046   -2.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4953   -2.0735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9599   -1.5896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  1  2  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  2  3  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  8  1  0  0  0  0
M  END
$$$$
0180
  -ISIS-  06170513032D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -2.8500   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1838   -4.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5093   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5093   -3.0750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1838   -2.6833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9088   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750   -2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1792   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250   -4.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -4.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5222   -4.2385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -3.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  9  1  0  0  0  0
  2  3  1  0  0  0  0
  9 10  2  0  0  0  0
  3  4  2  0  0  0  0
 10 11  1  0  0  0  0
  4  5  1  0  0  0  0
 11 12  2  0  0  0  0
  5  6  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  6  7  1  0  0  0  0
 13 15  1  0  0  0  0
  1  2  1  0  0  0  0
  2 16  2  0  0  0  0
  6  8  1  0  0  0  0
  5 17  1  0  0  0  0
  1  6  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
$$$$
0182
  -ISIS-  06170509232D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.3682   -2.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3707   -2.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1800   -2.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1775   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7758   -3.1234    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.9861   -2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9849   -2.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5831   -3.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5813   -1.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9666   -3.1205    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.9676   -3.8080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5638   -2.7737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3882   -1.7376    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7755   -3.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3722   -4.1551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1784   -4.1601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1744   -4.8556    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5759   -5.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7673   -5.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1784   -5.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
 10 11  1  0  0  0  0
  1  2  2  0  0  0  0
 10 12  1  0  0  0  0
  5 14  1  0  0  0  0
  6 13  1  0  0  0  0
  6  7  2  0  0  0  0
  3  4  1  0  0  0  0
 14 15  2  0  0  0  0
  7  8  1  0  0  0  0
 14 16  1  0  0  0  0
  8  4  2  0  0  0  0
 16 17  1  0  0  0  0
  4  5  1  0  0  0  0
 17 18  1  0  0  0  0
  3  9  2  0  0  0  0
 17 19  1  0  0  0  0
  9  6  1  0  0  0  0
 17 20  1  0  0  0  0
G   14  5
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7  14  15  16  17  18  19  20
M  SBL   1  1   7
M  SMT   1 boc
M  SBV   1   7    0.0000    0.6800
M  END
$$$$
0183
  -ISIS-  06170509252D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.2932   -2.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2957   -2.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0925   -2.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0900   -2.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6925   -3.1109    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.8902   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8891   -2.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4914   -3.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4896   -1.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8957   -3.1080    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968   -3.8080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4972   -2.7612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2882   -1.7126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6922   -3.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2972   -4.1551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0867   -4.1601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0869   -4.8598    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4801   -5.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6840   -5.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0909   -5.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
 10 11  1  0  0  0  0
  1  2  2  0  0  0  0
 10 12  1  0  0  0  0
  5 14  1  0  0  0  0
  6 13  1  0  0  0  0
  6  7  2  0  0  0  0
  3  4  1  0  0  0  0
 14 15  2  0  0  0  0
  7  8  1  0  0  0  0
 14 16  1  0  0  0  0
  8  4  2  0  0  0  0
 16 17  1  0  0  0  0
  4  5  1  0  0  0  0
 17 18  1  0  0  0  0
  3  9  2  0  0  0  0
 17 19  1  0  0  0  0
  9  6  1  0  0  0  0
 17 20  1  0  0  0  0
A   13
CH3O
G   14  5
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7  14  15  16  17  18  19  20
M  SBL   1  1   7
M  SMT   1 boc
M  SBV   1   7    0.0000    0.7000
M  END
$$$$
0184
  -ISIS-  06170509272D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.5307   -2.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5332   -2.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3383   -2.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3400   -2.7672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9383   -3.1193    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.1444   -2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1432   -2.7732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7414   -3.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7396   -1.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0224   -1.5939    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    4.6895   -1.7764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8446   -0.9255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9380   -3.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5347   -4.1551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3367   -4.1601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3328   -4.8556    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7342   -5.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9257   -5.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3409   -5.5464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5  1  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
 10 11  1  0  0  0  0
  1  2  2  0  0  0  0
 10 12  1  0  0  0  0
  6  7  2  0  0  0  0
 13 14  2  0  0  0  0
  3  4  1  0  0  0  0
 13 15  1  0  0  0  0
  7  8  1  0  0  0  0
 15 16  1  0  0  0  0
  8  4  2  0  0  0  0
 16 17  1  0  0  0  0
  4  5  1  0  0  0  0
 16 18  1  0  0  0  0
  3  9  2  0  0  0  0
 16 19  1  0  0  0  0
G   13  5
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7  13  14  15  16  17  18  19
M  SBL   1  1   2
M  SMT   1 boc
M  SBV   1   2    0.0000    0.6900
M  END
$$$$
0185
  -ISIS-  06170509272D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.2307   -2.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2332   -2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0508   -2.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0484   -2.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6425   -3.1276    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.8652   -2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8641   -2.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4581   -3.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4563   -1.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183   -1.6106    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    4.3812   -1.7931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5446   -0.9505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2715   -1.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6422   -3.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2347   -4.1551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0451   -4.1601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0411   -4.8514    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4467   -5.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6340   -5.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0492   -5.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5 14  1  0  0  0  0
  5  1  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
 10 11  1  0  0  0  0
  1  2  2  0  0  0  0
 10 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6  7  2  0  0  0  0
  3  4  1  0  0  0  0
 14 15  2  0  0  0  0
  7  8  1  0  0  0  0
 14 16  1  0  0  0  0
  8  4  2  0  0  0  0
 16 17  1  0  0  0  0
  4  5  1  0  0  0  0
 17 18  1  0  0  0  0
  3  9  2  0  0  0  0
 17 19  1  0  0  0  0
  9  6  1  0  0  0  0
 17 20  1  0  0  0  0
A   13
CH3O
G   14  5
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7  14  15  16  17  18  19  20
M  SBL   1  1   1
M  SMT   1 boc
M  SBV   1   1    0.0000    0.6900
M  END
$$$$
0186
  -ISIS-  06170509282D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.2266   -2.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2290   -2.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0883   -2.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0859   -2.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6592   -3.1651    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.9444   -2.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9432   -2.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5164   -3.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5146   -1.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6974   -1.7022    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    4.3353   -1.8764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5321   -1.0630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3715   -1.8376    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6588   -3.8234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2305   -4.1551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0867   -4.1601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828   -4.8223    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5092   -5.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6507   -5.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0867   -5.4839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5 14  1  0  0  0  0
  5  1  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
 10 11  1  0  0  0  0
  1  2  2  0  0  0  0
 10 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6  7  2  0  0  0  0
  3  4  1  0  0  0  0
 14 15  2  0  0  0  0
  7  8  1  0  0  0  0
 14 16  1  0  0  0  0
  8  4  2  0  0  0  0
 16 17  1  0  0  0  0
  4  5  1  0  0  0  0
 17 18  1  0  0  0  0
  3  9  2  0  0  0  0
 17 19  1  0  0  0  0
  9  6  1  0  0  0  0
 17 20  1  0  0  0  0
G   14  5
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7  14  15  16  17  18  19  20
M  SBL   1  1   1
M  SMT   1 boc
M  SBV   1   1    0.0000    0.6600
M  END
$$$$
0187
  -ISIS-  06170509292D

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.8391   -2.7005    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8415   -1.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5800   -1.9672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5817   -2.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2092   -3.0651    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.4666   -3.0621    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    4.4676   -3.7913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0972   -2.6987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2088   -3.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8388   -4.1592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5784   -4.1643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5744   -4.8973    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9426   -5.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2007   -5.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5826   -5.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  9 10  2  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  0  0  0  0
  1  2  1  0  0  0  0
 11 12  1  0  0  0  0
  1  6  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  6  7  1  0  0  0  0
 12 15  1  0  0  0  0
G    9  5
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7   9  10  11  12  13  14  15
M  SBL   1  1   3
M  SMT   1 boc
M  SBV   1   3    0.0000    0.7300
M  END
$$$$
0188
  -ISIS-  06170509292D

  6  5  0  0  0  0  0  0  0  0999 V2000
    3.3521   -2.5004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0221   -2.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6303   -2.6152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3003   -2.3012    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    5.9094   -2.7287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3640   -1.5586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  3  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
$$$$
0189
  -ISIS-  06170509292D

 13 13  0  0  0  0  0  0  0  0999 V2000
    4.3944   -0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3932   -1.3815    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0289   -1.7444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6620   -1.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6591   -0.6422    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0271   -0.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7583   -1.7375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1250   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7583   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2929   -0.2770    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792    0.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9958   -0.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  1  0  0  0
  3  4  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  4  5  1  0  0  0  0
  7 10  1  0  0  0  0
  2  3  1  0  0  0  0
  5 11  1  0  0  0  0
  5  6  1  0  0  0  0
 11 12  1  0  0  0  0
  6  1  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
$$$$
0190
  -ISIS-  06170509302D

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.9611   -0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1349   -1.5607    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.9537   -1.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2883   -0.8963    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6729   -0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1054   -0.7436    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    6.3792    0.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -1.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5887   -2.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8032   -2.9711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7877   -1.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6217   -3.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  9 10  2  0  0  0  0
  1  2  1  0  0  0  0
  9 11  1  0  0  0  0
  4  6  1  0  0  0  0
 11 12  1  0  0  0  0
  3  4  1  0  0  0  0
 12 13  1  0  0  0  0
  6  7  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
G    9  2
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7   9  10  11  12  13  14  15
M  SBL   1  1   3
M  SMT   1 boc
M  SBV   1   3    0.5500    0.6200
M  END
$$$$
0191
  -ISIS-  06170509302D

  8  8  0  0  0  0  0  0  0  0999 V2000
    3.9652   -0.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1224   -1.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8578   -1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1591   -1.0547    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6063   -0.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1375   -0.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667   -1.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  2  1  0  0  0  0
  4  6  1  0  0  0  0
  3  4  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
$$$$
0192
  -ISIS-  06170509312D

 10 10  0  0  0  0  0  0  0  0999 V2000
    5.2175   -0.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5887   -0.2561    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167    0.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3333   -0.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4708   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1013   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3513   -0.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9794   -0.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3510   -1.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1039   -1.5433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  5  6  2  0  0  0  0
  1  2  1  0  0  0  0
  6  7  1  0  0  0  0
  2  4  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  5  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
M  END
$$$$
0193
  -ISIS-  06170509312D

 13 14  0  0  0  0  0  0  0  0999 V2000
    5.8179   -0.4561    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125    0.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -0.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  6  7  2  0  0  0  0
  7  4  1  0  0  0  0
  1  4  1  0  0  0  0
  8  9  1  0  0  0  0
  4  5  2  0  0  0  0
  9 10  2  0  0  0  0
  5  9  1  0  0  0  0
 10 11  1  0  0  0  0
  1  3  1  0  0  0  0
 11 12  2  0  0  0  0
  8  6  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
M  END
$$$$
0194
  -ISIS-  06170509322D

 12 11  0  0  0  0  0  0  0  0999 V2000
    5.5916    0.0227    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    5.9577    0.6890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9873   -0.6235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8392    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4730   -0.6571    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7155   -0.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3235   -0.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2028   -0.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4542    0.1792    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  1  3  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  1  4  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
$$$$
0195
  -ISIS-  06170509332D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.5227   -1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7006   -1.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2903   -1.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7065   -2.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5051   -2.5646    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
  8  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6 12  1  0  0  0  0
  6  1  1  0  0  0  0
 12 13  2  0  0  0  0
  1  2  2  0  0  0  0
 13 14  1  0  0  0  0
  3  7  1  0  0  0  0
 14 15  2  0  0  0  0
  7  8  1  0  0  0  0
 15 16  1  0  0  0  0
  3  4  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
  4  5  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
  2  3  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
$$$$
0196
  -ISIS-  06170509332D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.5227   -1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7006   -1.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9220   -2.4848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
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  6 12  1  0  0  0  0
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 12 13  1  0  0  0  0
  1  2  2  0  0  0  0
 13 14  1  0  0  0  0
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 14 15  2  0  0  0  0
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 15 16  1  0  0  0  0
  3  4  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
  4  5  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
  2  3  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
$$$$
0197
  -ISIS-  06170509432D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.8932   -1.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0711   -1.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6549   -1.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0651   -2.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4193   -1.2235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2814   -2.5499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8512   -1.2402    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
  8  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6 12  1  0  0  0  0
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 12 13  1  0  0  0  0
  1  2  2  0  0  0  0
 12 14  2  0  0  0  0
  3  7  1  0  0  0  0
 13 15  1  0  0  0  0
  7  8  1  0  0  0  0
 15 16  2  0  0  0  0
  3  4  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
  4  5  1  0  0  0  0
 18 19  1  0  0  0  0
  2  3  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
  9 10  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
$$$$
0198
  -ISIS-  06170509432D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.1125   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4007   -0.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6845   -0.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6835   -1.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4008   -2.1752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1136   -1.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9736   -0.5254    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.9710    0.3011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1883    0.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7083   -0.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1911   -0.7807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8369   -2.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250   -3.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5458   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5458   -0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2583   -0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9730   -0.9466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6888   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6897    0.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9725    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2623    0.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4083    0.7167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
 11  7  1  0  0  0  0
  8  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6 12  1  0  0  0  0
  6  1  1  0  0  0  0
 12 13  2  0  0  0  0
  1  2  2  0  0  0  0
 12 14  1  0  0  0  0
  3  7  1  0  0  0  0
 14 15  2  0  0  0  0
  7  8  1  0  0  0  0
 15 16  1  0  0  0  0
  3  4  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
  4  5  1  0  0  0  0
 18 19  2  0  0  0  0
  2  3  1  0  0  0  0
 19 20  1  0  0  0  0
  9 10  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 10 11  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
$$$$
0199
  -ISIS-  06170509442D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.8911   -1.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0690   -1.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6585   -1.9578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0745   -2.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9014   -2.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3099   -1.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8366   -1.9607    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.4172   -1.2485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6130   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5350   -2.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2900   -2.5760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1491   -1.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5511   -1.2363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5598   -2.6763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3761   -1.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7930   -1.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6172   -1.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0241   -1.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6007   -0.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7779   -0.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8490   -1.2058    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
  8  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6 12  1  0  0  0  0
  6  1  1  0  0  0  0
 12 13  1  0  0  0  0
  1  2  2  0  0  0  0
 12 14  2  0  0  0  0
  3  7  1  0  0  0  0
 13 15  1  0  0  0  0
  7  8  1  0  0  0  0
 15 16  2  0  0  0  0
  3  4  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
  4  5  1  0  0  0  0
 18 19  1  0  0  0  0
  2  3  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
  9 10  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
$$$$
0200
  -ISIS-  06170509442D

 17 17  0  0  0  0  0  0  0  0999 V2000
    3.5122   -0.5794    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -0.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917   -1.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4182    0.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6859    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3148   -0.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6814   -1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125   -1.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5856   -0.5608    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3042   -0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625   -0.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0453    0.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -1.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  9  2  0  0  0  0
  9  4  1  0  0  0  0
  4  5  2  0  0  0  0
  7 10  1  0  0  0  0
  1  3  1  0  0  0  0
 10 11  1  0  0  0  0
  5  6  1  0  0  0  0
 11 12  1  0  0  0  0
  1  2  1  0  0  0  0
 12 13  1  0  0  0  0
  6  7  2  0  0  0  0
 13 14  1  0  0  0  0
  1  4  1  0  0  0  0
 14 15  1  0  0  0  0
  7  8  1  0  0  0  0
 11 16  2  0  0  0  0
 14 17  2  0  0  0  0
M  END
$$$$
0201
  -ISIS-  06170509472D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.3080   -0.4378    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.8083    0.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8583   -0.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2724    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5817    0.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2315   -0.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5772   -1.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -1.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    0.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6417    0.0792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0458    0.7667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  2  0  0  0  0
  1  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  4  1  0  0  0  0
  4  5  2  0  0  0  0
  7 10  1  0  0  0  0
  1  3  1  0  0  0  0
 10 11  1  0  0  0  0
  5  6  1  0  0  0  0
 11 12  1  0  0  0  0
  1  2  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
$$$$
0204
  -ISIS-  06170512082D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.8236   -1.6993    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5667   -2.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2358   -2.9711    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.9000   -2.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6486   -1.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2371   -3.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3384   -1.0268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9479   -4.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -4.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9376   -5.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5864   -5.3265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2946   -5.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5923   -4.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  6  1  0  0  0  0
  1  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  2  3  1  0  0  0  0
 10 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
 12 10  2  0  0  0  0
 11 13  2  0  0  0  0
G    8  6
Ph
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  6   8   9  10  11  12  13
M  SBL   1  1   3
M  SMT   1 Ph
M  SBV   1   3   -0.7100    0.4100
M  END
$$$$
0205
  -ISIS-  06170512092D

  7  6  0  0  0  0  0  0  0  0999 V2000
    3.9250   -0.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5318   -0.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500    0.2458    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3182   -0.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1043    0.8593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  6  1  1  0  0  0
  4  5  1  0  0  0  0
A    7
H^Cl
M  END
$$$$
0206
  -ISIS-  06170512092D

 13 14  0  0  0  0  0  0  0  0999 V2000
   10.0670   -3.1531    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7492   -3.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3848   -4.4512    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   11.0773   -4.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8904   -3.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3314   -5.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6398   -2.4474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0188   -5.7449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8194   -6.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2021   -6.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4016   -6.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4094   -7.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8083   -5.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  6  0  0  0
  6  8  1  0  0  0  0
  2  3  1  0  0  0  0
  8  9  2  0  0  0  0
  3  4  1  0  0  0  0
 10 11  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  3  6  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
 12 10  2  0  0  0  0
 11 13  2  0  0  0  0
G    8  6
Ph
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  6   8   9  10  11  12  13
M  SBL   1  1   2
M  SMT   1 Ph
M  SBV   1   2   -0.6900    0.4600
M  END
$$$$
0207
  -ISIS-  06170512102D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.7558   -1.9748    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5106   -2.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1840   -3.2397    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.8427   -2.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5789   -1.9717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2055   -4.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2617   -1.3050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5695   -1.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5094   -1.9325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0695   -1.1778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5091   -1.4985    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0049   -1.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4504   -2.0338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9416   -1.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9326   -4.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1473   -5.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5182   -4.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3035   -4.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373   -5.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5079   -3.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  8 10  1  0  0  0  0
  1  5  1  0  0  0  0
 10 11  1  0  0  0  0
  1  2  1  0  0  0  0
 11 12  1  0  0  0  0
  3  6  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
  1  7  1  1  0  0  0
 15 16  2  0  0  0  0
  7  8  1  0  0  0  0
 17 18  1  0  0  0  0
  6 15  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  8  9  2  0  0  0  0
 15 20  1  0  0  0  0
 16 19  1  0  0  0  0
 19 17  2  0  0  0  0
 18 20  2  0  0  0  0
G    8  7
boc
G   15  6
Ph
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  7   8   9  10  11  12  13  14
M  SBL   1  1  12
M  SMT   1 boc
M  SBV   1  12    0.8300    0.0900
M  SAL   2  6  15  16  17  18  19  20
M  SBL   2  1  14
M  SMT   2 Ph
M  SBV   2  14   -0.7200    0.3800
M  END
$$$$
0208
  -ISIS-  06170512142D

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.9208   -3.5750    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.5318   -3.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5458   -2.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3140   -3.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1025   -1.8003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9208   -4.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5748   -4.7085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2721   -4.7128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2671   -5.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6124   -5.8478    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7920   -6.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5618   -7.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0623   -8.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7995   -7.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0339   -7.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5310   -6.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9241   -5.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6951   -4.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9545   -4.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4455   -5.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6812   -5.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4150   -6.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5866   -1.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2817   -2.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1380   -1.1965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3842   -1.2742    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9422   -0.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6369   -1.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6 24  1  0  0  0  0
  4  5  1  0  0  0  0
  2  3  1  0  0  0  0
 12 17  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
  7  8  2  0  0  0  0
  1  2  1  0  0  0  0
  7  9  1  0  0  0  0
  3  4  1  0  0  0  0
  9 10  1  0  0  0  0
  5  1  1  0  0  0  0
 18 23  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 11 18  1  0  0  0  0
 23 12  1  0  0  0  0
 24 25  2  0  0  0  0
 17 11  1  0  0  0  0
 24 26  1  0  0  0  0
 10 11  1  0  0  0  0
 26 27  1  0  0  0  0
  1  7  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
  4  6  1  6  0  0  0
 27 30  1  0  0  0  0
G    7  1
fmoc
G   24  6
boc
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1 15   7   8   9  10  11  12  13  14  15  16  17  18  19  20  21
M  SAL   1  2  22  23
M  SBL   1  1  29
M  SMT   1 fmoc
M  SBV   1  29    0.0000    0.7500
M  SAL   2  7  24  25  26  27  28  29  30
M  SBL   2  1   1
M  SMT   2 boc
M  SBV   2   1    0.5200    0.0000
M  END
$$$$
0209
  -ISIS-  06170512152D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.5779   -1.9422    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3190   -2.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9820   -3.2141    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.6533   -2.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987   -1.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0668   -4.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0953   -1.2720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3359   -1.2820    0.0000 Ac  0  0  0  0  0  0  0  0  0  0  0  0
    3.8625   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0780   -5.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4514   -4.6641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2360   -3.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8697   -5.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4387   -3.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  3  4  1  0  0  0  0
  9 10  2  0  0  0  0
  4  5  1  0  0  0  0
 11 12  1  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  3  6  1  0  0  0  0
  1  7  1  1  0  0  0
  9 14  1  0  0  0  0
 10 13  1  0  0  0  0
 13 11  2  0  0  0  0
 12 14  2  0  0  0  0
G    9  6
Ph
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  6   9  10  11  12  13  14
M  SBL   1  1   3
M  SMT   1 Ph
M  SBV   1   3   -0.8000    0.2200
M  END
$$$$
0210
  -ISIS-  06170512192D

 15 15  0  0  0  0  0  0  0  0999 V2000
    1.8885   -0.3276    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6303   -1.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2937   -1.5992    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.9646   -1.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7093   -0.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4054    0.3422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418    0.3731    0.0000 Ac  0  0  0  0  0  0  0  0  0  0  0  0
    2.2922   -2.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0968   -2.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0060   -2.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0006   -3.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4278   -3.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4313   -2.8434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7102   -4.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7171   -2.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
 10 11  2  0  0  0  0
  4  5  1  0  0  0  0
 12 13  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  6  0  0  0
  1  2  1  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 14 12  2  0  0  0  0
 13 15  2  0  0  0  0
G   10  8
Ph
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  6  10  11  12  13  14  15
M  SBL   1  1   3
M  SMT   1 Ph
M  SBV   1   3   -0.7100    0.4100
M  END
$$$$
0211
  -ISIS-  06170512232D

  6  6  0  0  0  0  0  0  0  0999 V2000
    2.3987   -0.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1299   -0.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3100   -0.0194    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0584   -0.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -1.2806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8100    0.6504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  2  3  1  0  0  0  0
  1  2  1  0  0  0  0
  3  6  1  1  0  0  0
M  END
$$$$
0212
  -ISIS-  06170512232D

 14 14  0  0  0  0  0  0  0  0999 V2000
    5.4417   -1.1541    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.0818   -0.6883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0458    0.0583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8057   -0.6883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    0.7051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0293    0.6884    0.0000 Ac  0  0  0  0  0  0  0  0  0  0  0  0
    5.4375   -1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1185   -2.3446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7434   -2.3426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7359   -3.1419    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0468   -3.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4160   -3.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7395   -3.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  1  2  1  0  0  0  0
  8  9  2  0  0  0  0
  3  4  1  0  0  0  0
  8 10  1  0  0  0  0
  5  1  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  4  6  1  1  0  0  0
 11 13  1  0  0  0  0
  4  5  1  0  0  0  0
 11 14  1  0  0  0  0
G    8  1
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7   8   9  10  11  12  13  14
M  SBL   1  1   2
M  SMT   1 boc
M  SBV   1   2    0.0100    0.7900
M  END
$$$$
0213
  -ISIS-  06170512272D

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.3211   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0662    0.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463    0.1355    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9808   -0.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6513   -1.1331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7582    0.8139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0670    0.7329    0.0000 Ac  0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  2  3  1  0  0  0  0
  1  2  1  0  0  0  0
  3  6  1  1  0  0  0
  6  7  1  0  0  0  0
M  END
$$$$
0214
  -ISIS-  06170512302D

  8  7  0  0  0  0  0  0  0  0999 V2000
    2.4240   -0.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1518    0.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3320    0.0003    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0837   -0.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7649   -1.2591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8290    0.6678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0058    0.5686    0.0000 Ac  0  0  0  0  0  0  0  0  0  0  0  0
    1.8715    0.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  2  3  1  0  0  0  0
  1  2  1  0  0  0  0
  3  6  1  1  0  0  0
  6  7  1  0  0  0  0
A    8
.HCl
M  END
$$$$
0215
  -ISIS-  06170512432D

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.3191   -0.6612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0680    0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2480    0.1344    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9789   -0.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6471   -1.1362    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7632    0.8151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0624    0.7380    0.0000 Ac  0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  2  3  1  0  0  0  0
  1  2  1  0  0  0  0
  3  6  1  6  0  0  0
  6  7  1  0  0  0  0
M  END
$$$$
0216
  -ISIS-  06170512432D

  8  7  0  0  0  0  0  0  0  0999 V2000
    1.6971   -0.6541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4544    0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6928    0.0703    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4526   -0.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0827   -1.1021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2306    0.6975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3490    0.7174    0.0000 Ac  0  0  0  0  0  0  0  0  0  0  0  0
    1.7458    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  2  3  1  0  0  0  0
  1  2  1  0  0  0  0
  3  6  1  6  0  0  0
  6  7  1  0  0  0  0
A    8
.HCl
M  END
$$$$
0217
  -ISIS-  06170512442D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.8989    0.4639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6151    1.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7509    1.2884    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4723    0.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1894   -0.0610    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.1833   -0.9437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1315    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5721    2.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  2  3  1  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  6  0  0  0
  7  8  1  0  0  0  0
A    6
CH2Ph
G    7  3
NHCH3
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2   7   8
M  SBL   1  1   7
M  SMT   1 NHCH3
M  SBV   1   7    0.6300   -0.6200
M  END
$$$$
0218
  -ISIS-  06170512442D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.2744   -0.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0977    0.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2820    0.1104    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9420   -0.6354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5611   -1.1917    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.8625    0.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1320   -2.4033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8019   -2.3964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7915   -3.1666    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1236   -3.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4476   -3.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7924   -3.9325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  7  1  0  0  0  0
  3  4  1  0  0  0  0
  7  8  2  0  0  0  0
  4  5  1  0  0  0  0
  7  9  1  0  0  0  0
  5  1  1  0  0  0  0
  9 10  1  0  0  0  0
  2  3  1  0  0  0  0
 10 11  1  0  0  0  0
  1  2  1  0  0  0  0
 10 12  1  0  0  0  0
  3  6  1  6  0  0  0
 10 13  1  0  0  0  0
G    7  5
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7   7   8   9  10  11  12  13
M  SBL   1  1   1
M  SMT   1 boc
M  SBV   1   1    0.0800    0.8200
M  END
$$$$
0219
  -ISIS-  06170512452D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.8494   -0.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6727    0.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8570    0.2146    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5170   -0.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1361   -1.0875    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.4375    0.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0491   -1.0910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7718   -2.3287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4891   -1.9167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2053   -2.3303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4900   -1.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2012   -1.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3917    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7030    0.3274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7712    1.5157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586    1.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8347    2.0584    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.6972    2.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3638    2.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8536    2.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6734    1.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0085    1.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5221    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5871    2.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9423    2.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8364    3.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3718    4.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0133    3.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1209    3.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  7  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  3  4  1  0  0  0  0
 16 17  1  0  0  0  0
  7  8  2  0  0  0  0
 18 25  1  0  0  0  0
 30 19  1  0  0  0  0
 24 18  1  0  0  0  0
 17 18  1  0  0  0  0
  4  5  1  0  0  0  0
  7  9  1  0  0  0  0
  5  1  1  0  0  0  0
  9 10  1  0  0  0  0
  2  3  1  0  0  0  0
 10 11  1  0  0  0  0
 19 24  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
  1  2  1  0  0  0  0
 10 12  1  0  0  0  0
  3  6  1  1  0  0  0
 10 13  1  0  0  0  0
  6 14  1  0  0  0  0
 25 30  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
G    7  5
boc
G   14  6
fmoc
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  7   7   8   9  10  11  12  13
M  SBL   1  1   1
M  SMT   1 boc
M  SBV   1   1    0.0800    0.8300
M  SAL   2 15  14  15  16  17  18  19  20  21  22  23  24  25  26  27  28
M  SAL   2  2  29  30
M  SBL   2  1  27
M  SMT   2 fmoc
M  SBV   2  27    0.8300    0.0000
M  END
$$$$
0220
  -ISIS-  06170512452D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.8494   -0.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6727    0.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8570    0.2146    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5170   -0.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1361   -1.0875    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.4375    0.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0491   -1.0910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7718   -2.3287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4891   -1.9167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2053   -2.3303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4900   -1.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2012   -1.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3917    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7030    0.3274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7712    1.5157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586    1.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8347    2.0584    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.6972    2.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3638    2.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8536    2.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6734    1.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0085    1.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5221    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5871    2.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9423    2.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8364    3.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3718    4.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0133    3.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1209    3.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  7  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  3  4  1  0  0  0  0
 16 17  1  0  0  0  0
  7  8  2  0  0  0  0
 18 25  1  0  0  0  0
 30 19  1  0  0  0  0
 24 18  1  0  0  0  0
 17 18  1  0  0  0  0
  4  5  1  0  0  0  0
  7  9  1  0  0  0  0
  5  1  1  0  0  0  0
  9 10  1  0  0  0  0
  2  3  1  0  0  0  0
 10 11  1  0  0  0  0
 19 24  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
  1  2  1  0  0  0  0
 10 12  1  0  0  0  0
  3  6  1  6  0  0  0
 10 13  1  0  0  0  0
  6 14  1  0  0  0  0
 25 30  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
G    7  5
boc
G   14  6
fmoc
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  7   7   8   9  10  11  12  13
M  SBL   1  1   1
M  SMT   1 boc
M  SBV   1   1    0.0800    0.8300
M  SAL   2 15  14  15  16  17  18  19  20  21  22  23  24  25  26  27  28
M  SAL   2  2  29  30
M  SBL   2  1  27
M  SMT   2 fmoc
M  SBV   2  27    0.8300    0.0000
M  END
$$$$
0221
  -ISIS-  06170512452D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.8790   -0.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6099    0.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7901    0.2710    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5387   -0.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2180   -0.9900    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.2898    0.9405    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.6821    0.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2285   -1.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1325   -1.0008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9936   -2.1465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6583   -1.6543    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4177   -1.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5642   -0.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172   -1.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5056    0.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7443    0.2931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9495    1.4656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6284    1.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0687    1.8816    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.0067    2.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6892    2.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1196    2.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8638    1.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1826    1.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7558    1.8398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8971    2.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2851    2.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2588    3.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8408    3.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4492    3.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4778    2.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  8  1  0  0  0  0
 15 16  2  0  0  0  0
  6  7  1  0  0  0  0
 15 17  1  0  0  0  0
  3  4  1  0  0  0  0
 17 18  1  0  0  0  0
  4  5  1  0  0  0  0
 19 26  1  0  0  0  0
 31 20  1  0  0  0  0
 25 19  1  0  0  0  0
 18 19  1  0  0  0  0
  8  9  2  0  0  0  0
  5  1  1  0  0  0  0
  8 10  1  0  0  0  0
  2  3  1  0  0  0  0
 10 11  1  0  0  0  0
  1  2  1  0  0  0  0
 20 25  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 11 12  1  0  0  0  0
  3  6  1  1  0  0  0
 11 13  1  0  0  0  0
  6 15  1  0  0  0  0
 11 14  1  0  0  0  0
 26 31  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
G    8  5
boc
G   15  6
fmoc
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  7   8   9  10  11  12  13  14
M  SBL   1  1   1
M  SMT   1 boc
M  SBV   1   1   -0.0100    0.8300
M  SAL   2 15  15  16  17  18  19  20  21  22  23  24  25  26  27  28  29
M  SAL   2  2  30  31
M  SBL   2  1  27
M  SMT   2 fmoc
M  SBV   2  27    0.7900    0.0100
M  END
$$$$
0222
  -ISIS-  06170512492D

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.6167    1.4208    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6167    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2745    0.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9324    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9324    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2745    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    1.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  1  0  0  0
M  END
$$$$
0223
  -ISIS-  06170512492D

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.5917    1.4250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5917    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2495    0.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9074    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9074    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2495    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9333    1.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  6  0  0  0
M  END
$$$$
0224
  -ISIS-  06170512502D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.6375    1.3500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6375    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2954    0.2083    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.9532    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9532    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2954    1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    1.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3279   -1.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4657   -0.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0878   -0.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0827   -1.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3268   -0.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  1  0  0  0
  1  2  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1  6  1  0  0  0  0
  9 10  2  0  0  0  0
  2  3  1  0  0  0  0
 11 12  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  9 14  1  0  0  0  0
 10 13  1  0  0  0  0
 13 11  2  0  0  0  0
 12 14  2  0  0  0  0
G    9  8
Ph
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  6   9  10  11  12  13  14
M  SBL   1  1   4
M  SMT   1 Ph
M  SBV   1   4   -0.6600    0.3700
M  END
$$$$
0225
  -ISIS-  06170512502D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.5708    1.3500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5708    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2287    0.2083    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.8865    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8865    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2287    1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9083    1.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8833   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2613   -1.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3990   -0.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0211   -0.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0160   -1.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -0.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  6  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1  2  1  0  0  0  0
  9 10  2  0  0  0  0
  1  6  1  0  0  0  0
 11 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  9 14  1  0  0  0  0
 10 13  1  0  0  0  0
 13 11  2  0  0  0  0
 12 14  2  0  0  0  0
G    9  8
Ph
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  6   9  10  11  12  13  14
M  SBL   1  1   3
M  SMT   1 Ph
M  SBV   1   3   -0.6600    0.3700
M  END
$$$$
0226
  -ISIS-  06170512502D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.6208    1.4375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6208    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3370    0.1958    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.0532    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0532    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3370    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    1.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3333   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0458   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4571   -1.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6949   -1.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2836   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2785   -1.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4560   -0.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2381    0.7455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2365    2.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0653    2.1846    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4730    2.9017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4802    1.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8895    2.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
 11 12  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  9 14  1  0  0  0  0
 10 13  1  0  0  0  0
 13 11  2  0  0  0  0
 12 14  2  0  0  0  0
  1  7  1  1  0  0  0
  1  2  1  0  0  0  0
 15 16  2  0  0  0  0
  3  8  1  0  0  0  0
 15 17  1  0  0  0  0
  8  9  1  0  0  0  0
 17 18  1  0  0  0  0
  7 15  1  0  0  0  0
 18 19  1  0  0  0  0
  1  6  1  0  0  0  0
 18 20  1  0  0  0  0
  9 10  2  0  0  0  0
 18 21  1  0  0  0  0
G    9  8
Ph
G   15  7
boc
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  6   9  10  11  12  13  14
M  SBL   1  1  15
M  SMT   1 Ph
M  SBV   1  15   -0.7100    0.4200
M  SAL   2  7  15  16  17  18  19  20  21
M  SBL   2  1  17
M  SMT   2 boc
M  SBV   2  17    0.7300    0.4100
M  END
$$$$
0227
  -ISIS-  06170512512D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.6208    1.4375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6208    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3370    0.1958    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.0532    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0532    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3370    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    1.8625    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.3333   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9083    2.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0458   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4571   -1.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6949   -1.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2836   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2785   -1.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4560   -0.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2381    0.7455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2365    2.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0653    2.1846    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4730    2.9017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4802    1.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8895    2.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  2  0  0  0  0
  3  4  1  0  0  0  0
 12 13  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  1  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 14 12  2  0  0  0  0
 13 15  2  0  0  0  0
  1  2  1  0  0  0  0
  3  8  1  0  0  0  0
 16 17  2  0  0  0  0
  8 10  1  0  0  0  0
 16 18  1  0  0  0  0
  7 16  1  0  0  0  0
 18 19  1  0  0  0  0
  1  6  1  0  0  0  0
 19 20  1  0  0  0  0
  7  9  1  0  0  0  0
 19 21  1  0  0  0  0
  2  3  1  0  0  0  0
 19 22  1  0  0  0  0
G   10  8
Ph
G   16  7
boc
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  6  10  11  12  13  14  15
M  SBL   1  1  14
M  SMT   1 Ph
M  SBV   1  14   -0.7100    0.4200
M  SAL   2  7  16  17  18  19  20  21  22
M  SBL   2  1  16
M  SMT   2 boc
M  SBV   2  16    0.7300    0.4100
M  END
$$$$
0228
  -ISIS-  06170512512D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2167    1.3750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2167    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9329    0.1333    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.6490    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6490    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9329    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4958    1.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6417   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0529   -1.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2907   -1.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8794   -0.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -1.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0518   -0.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2292    1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6423    0.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6407    2.1143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4695    2.1221    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8772    2.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8844    1.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2937    2.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
 11 12  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  9 14  1  0  0  0  0
 10 13  1  0  0  0  0
 13 11  2  0  0  0  0
 12 14  2  0  0  0  0
  1  7  1  6  0  0  0
  1  2  1  0  0  0  0
 15 16  2  0  0  0  0
  3  8  1  0  0  0  0
 15 17  1  0  0  0  0
  8  9  1  0  0  0  0
 17 18  1  0  0  0  0
  7 15  1  0  0  0  0
 18 19  1  0  0  0  0
  1  6  1  0  0  0  0
 18 20  1  0  0  0  0
  9 10  2  0  0  0  0
 18 21  1  0  0  0  0
G    9  8
Ph
G   15  7
boc
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  6   9  10  11  12  13  14
M  SBL   1  1  15
M  SMT   1 Ph
M  SBV   1  15   -0.7200    0.4100
M  SAL   2  7  15  16  17  18  19  20  21
M  SBL   2  1  17
M  SMT   2 boc
M  SBV   2  17    0.7200    0.4000
M  END
$$$$
0230
  -ISIS-  06170512522D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.2167    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9329    0.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6490    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6490    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9329    1.7875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9329    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9328    3.4416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  2  1  0  0  0  0
  7  8  3  0  0  0  0
G    7  6
CN
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2   7   8
M  SBL   1  1   6
M  SMT   1 CN
M  SBV   1   6    0.0000   -0.8300
M  END
$$$$
0231
  -ISIS-  06170512532D

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.2167    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9329    0.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6490    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6490    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9329    1.7875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9329    2.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
A    7
H^Nboc
M  END
$$$$
0232
  -ISIS-  06170512532D

 15 15  0  0  0  0  0  0  0  0999 V2000
    1.0583   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0583   -2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7745   -2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4907   -2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4907   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7745   -0.8042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7745    0.0208    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.1407    0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5557    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5533    1.2286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2738   -0.0081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.4032    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7071   -0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9948    1.2235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7029    0.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  9  1  0  0  0  0
  1  2  1  0  0  0  0
  7  8  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  9 10  2  0  0  0  0
  3  4  1  0  0  0  0
  9 11  1  0  0  0  0
  4  5  1  0  0  0  0
 11 12  1  0  0  0  0
  5  6  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  6  7  1  0  0  0  0
 12 15  1  0  0  0  0
G    9  7
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7   9  10  11  12  13  14  15
M  SBL   1  1   1
M  SMT   1 boc
M  SBV   1   1   -0.7800   -0.3800
M  END
$$$$
0233
  -ISIS-  06170512532D

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.2167    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9329    0.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6490    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6490    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9329    1.7875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9329    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
A    7
CH2NH2
M  END
$$$$
0234
  -ISIS-  06170512542D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.4118    1.5314    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1461    0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8081    0.2596    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.4807    0.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2354    1.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7941   -0.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9400    2.2176    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5076   -1.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7511   -0.6670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1746   -1.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9301   -2.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0881   -1.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5992   -1.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  1  0  0  0
  6  8  1  0  0  0  0
  2  3  1  0  0  0  0
  8  9  2  0  0  0  0
  3  4  1  0  0  0  0
 10 11  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  3  6  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
 12 10  2  0  0  0  0
 11 13  2  0  0  0  0
G    8  6
Ph
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  6   8   9  10  11  12  13
M  SBL   1  1   2
M  SMT   1 Ph
M  SBV   1   2   -0.7100    0.4300
M  END
$$$$
0235
  -ISIS-  06170512542D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.3956    1.5198    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1596    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8436    0.2674    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.4896    0.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2067    1.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9557   -0.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9023    2.1826    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7195   -0.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8289   -1.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2434   -1.4946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1335   -0.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5886   -1.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3686   -0.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  6  0  0  0
  6  8  1  0  0  0  0
  2  3  1  0  0  0  0
  8  9  2  0  0  0  0
  3  4  1  0  0  0  0
 10 11  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  3  6  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
 12 10  2  0  0  0  0
 11 13  2  0  0  0  0
G    8  6
Ph
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  6   8   9  10  11  12  13
M  SBL   1  1   2
M  SMT   1 Ph
M  SBV   1   2   -0.7600    0.3100
M  END
$$$$
0236
  -ISIS-  06170512542D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.4132    1.5299    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1614    0.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8360    0.2687    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.4921    0.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2247    1.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9318   -0.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9332    2.2024    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6892   -0.8804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7821   -1.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2002   -1.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1066   -0.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5354   -2.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3483   -0.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  3  1  0  0  0  0
  8  9  2  0  0  0  0
  3  4  1  0  0  0  0
 10 11  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  3  6  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
 12 10  2  0  0  0  0
 11 13  2  0  0  0  0
G    8  6
Ph
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  6   8   9  10  11  12  13
M  SBL   1  1   2
M  SMT   1 Ph
M  SBV   1   2   -0.7600    0.3200
M  END
$$$$
0237
  -ISIS-  06170512552D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.3295   -2.5991    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0723   -3.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7437   -3.8631    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.4031   -3.3721    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1411   -2.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8338   -4.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8541   -1.9234    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -3.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4870   -4.3047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6409   -3.0148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1685   -5.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4165   -4.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1615   -6.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5938   -6.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2471   -5.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2634   -5.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  1  5  1  0  0  0  0
 11 12  2  0  0  0  0
  1  2  1  0  0  0  0
 13 14  1  0  0  0  0
  3  6  1  0  0  0  0
  1  7  1  1  0  0  0
  4  8  1  1  0  0  0
 11 16  1  0  0  0  0
 12 15  1  0  0  0  0
 15 13  2  0  0  0  0
 14 16  2  0  0  0  0
G    8  4
COOH
G   11  6
Ph
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  3   8   9  10
M  SBL   1  1  13
M  SMT   1 COOH
M  SBV   1  13   -0.7800    0.2400
M  SAL   2  6  11  12  13  14  15  16
M  SBL   2  1   1
M  SMT   2 Ph
M  SBV   2   1    0.6700    0.4900
M  END
$$$$
0238
  -ISIS-  06170512582D

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.2868   -0.7787    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0339    0.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140    0.0145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9466   -0.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6158   -1.2552    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.7276    0.6942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0749   -1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1463   -1.7989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6950   -0.5999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6154   -2.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3174   -2.4055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9869   -2.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0569   -3.3086    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4283   -3.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7533   -3.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1377   -4.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  5  1  1  0  0  0  0
  2  3  1  0  0  0  0
 10 11  2  0  0  0  0
  1  2  1  0  0  0  0
 10 12  1  0  0  0  0
  3  6  1  1  0  0  0
 12 13  1  0  0  0  0
  1  7  1  1  0  0  0
 13 14  1  0  0  0  0
  5 10  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
G    7  1
COOH
G   10  5
boc
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  3   7   8   9
M  SBL   1  1  12
M  SMT   1 COOH
M  SBV   1  12   -0.7900    0.2600
M  SAL   2  7  10  11  12  13  14  15  16
M  SBL   2  1  14
M  SMT   2 boc
M  SBV   2  14    0.0000    0.8300
M  END
$$$$
0239
  -ISIS-  06170512582D

 16 16  0  0  0  0  0  0  0  0999 V2000
    4.9708   -0.4328    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7140    0.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8940    0.3551    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6305   -0.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3022   -0.9125    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.4042    1.0323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7604   -0.6919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8357   -1.4490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3784   -0.2473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3055   -1.7449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0091   -2.0587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6793   -2.1973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7531   -2.9681    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1268   -3.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4511   -3.2843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8378   -3.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  5  1  1  0  0  0  0
  2  3  1  0  0  0  0
 10 11  2  0  0  0  0
  1  2  1  0  0  0  0
 10 12  1  0  0  0  0
  3  6  1  6  0  0  0
 12 13  1  0  0  0  0
  1  7  1  1  0  0  0
 13 14  1  0  0  0  0
  5 10  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
G    7  1
COOH
G   10  5
boc
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  3   7   8   9
M  SBL   1  1  12
M  SMT   1 COOH
M  SBV   1  12   -0.7900    0.2700
M  SAL   2  7  10  11  12  13  14  15  16
M  SBL   2  1  14
M  SMT   2 boc
M  SBV   2  14    0.0000    0.8300
M  END
$$$$
0240
  -ISIS-  06170512592D

 16 16  0  0  0  0  0  0  0  0999 V2000
    7.6446   -2.2774    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3724   -1.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5526   -1.5108    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3043   -2.2919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9855   -2.7702    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.0497   -0.8432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4402   -2.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5303   -3.2784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0494   -2.0663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0003   -3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6988   -3.9019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3774   -4.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4593   -4.8201    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8411   -5.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1570   -5.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5518   -5.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  5  1  1  0  0  0  0
  2  3  1  0  0  0  0
 10 11  2  0  0  0  0
  1  2  1  0  0  0  0
 10 12  1  0  0  0  0
  3  6  1  6  0  0  0
 12 13  1  0  0  0  0
  1  7  1  6  0  0  0
 13 14  1  0  0  0  0
  5 10  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
G    7  1
COOH
G   10  5
boc
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  3   7   8   9
M  SBL   1  1  12
M  SMT   1 COOH
M  SBV   1  12   -0.7900    0.2500
M  SAL   2  7  10  11  12  13  14  15  16
M  SBL   2  1  14
M  SMT   2 boc
M  SBV   2  14   -0.0200    0.8300
M  END
$$$$
0241
  -ISIS-  06170512592D

 16 16  0  0  0  0  0  0  0  0999 V2000
    7.6442   -2.2775    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3743   -1.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5544   -1.5078    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3039   -2.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9838   -2.7684    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.0534   -0.8389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4390   -2.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5270   -3.2807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0494   -2.0701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9965   -3.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6942   -3.9025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3724   -4.0511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4520   -4.8172    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8326   -5.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1490   -5.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5424   -5.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  5  1  1  0  0  0  0
  2  3  1  0  0  0  0
 10 11  2  0  0  0  0
  1  2  1  0  0  0  0
 10 12  1  0  0  0  0
  3  6  1  1  0  0  0
 12 13  1  0  0  0  0
  1  7  1  6  0  0  0
 13 14  1  0  0  0  0
  5 10  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
G    7  1
COOH
G   10  5
boc
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  3   7   8   9
M  SBL   1  1  12
M  SMT   1 COOH
M  SBV   1  12   -0.7900    0.2500
M  SAL   2  7  10  11  12  13  14  15  16
M  SBL   2  1  14
M  SMT   2 boc
M  SBV   2  14   -0.0100    0.8300
M  END
$$$$
0242
  -ISIS-  06170510132D

  9  9  0  0  0  0  0  0  0  0999 V2000
    7.6639   -2.2855    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4047   -1.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5848   -1.5009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3236   -2.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9968   -2.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0930   -0.8252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4545   -2.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5320   -3.2995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0711   -2.0962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  2  3  1  0  0  0  0
  1  7  1  1  0  0  0
  1  2  1  0  0  0  0
  3  6  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
G    7  1
COOH
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3   7   8   9
M  SBL   1  1   3
M  SMT   1 COOH
M  SBV   1   3   -0.7900    0.2600
M  END
$$$$
0243
  -ISIS-  06170510172D

  9  9  0  0  0  0  0  0  0  0999 V2000
    7.6627   -2.2855    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4063   -1.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5863   -1.4971    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3224   -2.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -2.7649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0969   -0.8196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4522   -2.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5271   -3.3021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0704   -2.1007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  2  3  1  0  0  0  0
  1  7  1  1  0  0  0
  1  2  1  0  0  0  0
  3  6  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
G    7  1
COOH
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3   7   8   9
M  SBL   1  1   3
M  SMT   1 COOH
M  SBV   1   3   -0.7900    0.2600
M  END
$$$$
0244
  -ISIS-  06170510172D

 17 17  0  0  0  0  0  0  0  0999 V2000
    2.2880   -0.7781    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0304    0.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2105    0.0087    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9477   -0.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6199   -1.2585    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.6250    0.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6238   -2.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3278   -2.4039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9980   -2.5438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0726   -3.3145    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4468   -3.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7710   -3.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1580   -4.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7154   -0.7610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9929   -2.0023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6960   -2.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  2  0  0  0  0
  4  5  1  0  0  0  0
  7  9  1  0  0  0  0
  5  1  1  0  0  0  0
  9 10  1  0  0  0  0
  2  3  1  0  0  0  0
 10 11  1  0  0  0  0
  5  7  1  0  0  0  0
 10 12  1  0  0  0  0
  1 14  1  1  0  0  0
 10 13  1  0  0  0  0
  1  2  1  0  0  0  0
  3  6  1  6  0  0  0
  3  4  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
G    7  5
boc
G   14  1
COOCH3
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  7   7   8   9  10  11  12  13
M  SBL   1  1   8
M  SMT   1 boc
M  SBV   1   8   -0.0100    0.8300
M  SAL   2  4  14  15  16  17
M  SBL   2  1  10
M  SMT   2 COOCH3
M  SBV   2  10   -0.7200    0.4100
M  END
$$$$
0245
  -ISIS-  06170510172D

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.9778   -1.0125    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.6452   -0.5313    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5736    0.2604    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0999    0.9459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3118   -0.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3838    0.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4305   -0.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0990   -0.3851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238   -1.5434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0799   -1.9314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6177   -2.2158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3165   -2.2088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3062   -2.9623    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3473   -3.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9479   -3.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3069   -3.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  1  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
 11 12  2  0  0  0  0
  6  3  1  0  0  0  0
 11 13  1  0  0  0  0
  3  5  1  0  0  0  0
 13 14  1  0  0  0  0
  1 11  1  0  0  0  0
 14 15  1  0  0  0  0
  3  4  1  1  0  0  0
 14 16  1  0  0  0  0
  5  1  1  0  0  0  0
 14 17  1  0  0  0  0
G    7  2
COOCH3
G   11  1
boc
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  4   7   8   9  10
M  SBL   1  1   1
M  SMT   1 COOCH3
M  SBV   1   1   -0.7800    0.2600
M  SAL   2  7  11  12  13  14  15  16  17
M  SBL   2  1  12
M  SMT   2 boc
M  SBV   2  12    0.0000    0.8200
M  END
$$$$
0249
  -ISIS-  06170510182D

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.9778   -1.0125    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.6452   -0.5313    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5736    0.2604    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0999    0.9459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3118   -0.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3838    0.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6320   -2.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3019   -2.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2915   -2.9874    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3764   -3.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9476   -3.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2924   -3.7533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -1.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0751   -0.4095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  7  8  2  0  0  0  0
  7  1  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1  2  1  0  0  0  0
 10 11  1  0  0  0  0
  2  6  1  0  0  0  0
 10 12  1  0  0  0  0
  6  3  1  0  0  0  0
 10 13  1  0  0  0  0
  3  5  1  0  0  0  0
  2 14  1  1  0  0  0
  3  4  1  1  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
G    7  1
boc
G   14  2
COOH
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  7   7   8   9  10  11  12  13
M  SBL   1  1   3
M  SMT   1 boc
M  SBV   1   3    0.0000    0.8200
M  SAL   2  3  14  15  16
M  SBL   2  1  13
M  SMT   2 COOH
M  SBV   2  13   -0.7800    0.2600
M  END
$$$$
0250
  -ISIS-  06170512592D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.1486   -0.8417    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.8161   -0.3604    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7445    0.4313    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4826   -0.3558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5546    0.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2689    1.1171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -1.3584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2459   -0.2387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1458   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7885   -2.0450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4873   -2.0380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4770   -2.7914    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1765   -3.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1187   -3.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4777   -3.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9239    0.3076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0367    1.7445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8681    1.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3381    2.3745    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.4003    3.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2118    3.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7924    2.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5574    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7478    1.8006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1713    2.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0547    3.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2803    3.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1694    4.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8287    4.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5990    4.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7120    3.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
 13 16  1  0  0  0  0
  4  1  1  0  0  0  0
  1  2  1  0  0  0  0
 17 18  2  0  0  0  0
  2  5  1  0  0  0  0
 17 19  1  0  0  0  0
  7  8  1  0  0  0  0
 19 20  1  0  0  0  0
  7  9  2  0  0  0  0
 21 28  1  0  0  0  0
 33 22  1  0  0  0  0
 27 21  1  0  0  0  0
 20 21  1  0  0  0  0
  5  3  1  0  0  0  0
  3  4  1  0  0  0  0
 10 11  2  0  0  0  0
  2  7  1  1  0  0  0
 10 12  1  0  0  0  0
 22 27  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 12 13  1  0  0  0  0
  3  6  1  6  0  0  0
 13 14  1  0  0  0  0
  6 17  1  0  0  0  0
 13 15  1  0  0  0  0
 28 33  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
G    7  2
COOH
G   10  1
boc
G   17  6
fmoc
M  STY  3   1 SUP   2 SUP   3 SUP
M  SLB  3   1   1   2   2   3   3
M  SAL   1  3   7   8   9
M  SBL   1  1  18
M  SMT   1 COOH
M  SBV   1  18   -0.7900    0.2600
M  SAL   2  7  10  11  12  13  14  15  16
M  SBL   2  1   1
M  SMT   2 boc
M  SBV   2   1    0.0000    0.8200
M  SAL   3 15  17  18  19  20  21  22  23  24  25  26  27  28  29  30  31
M  SAL   3  2  32  33
M  SBL   3  1  29
M  SMT   3 fmoc
M  SBV   3  29    0.8300    0.0700
M  END
$$$$
0251
  -ISIS-  06170513002D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.1361   -0.9500    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.8036   -0.4688    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7320    0.3229    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4701   -0.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5421    0.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2564    1.0087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1333   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7903   -2.1616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4603   -2.1547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4499   -2.9249    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2181   -3.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1059   -3.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4508   -3.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -1.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2334   -0.3470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9542    0.3006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9513    1.6010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7033    1.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0760    2.2621    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.9710    3.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6866    3.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2523    2.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0988    2.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3854    1.8482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8232    2.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7642    2.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0449    3.1742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8851    3.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4409    4.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1566    4.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3179    3.4578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  1  7  1  0  0  0  0
 17 18  2  0  0  0  0
  7  8  2  0  0  0  0
 17 19  1  0  0  0  0
  1  2  1  0  0  0  0
 19 20  1  0  0  0  0
  7  9  1  0  0  0  0
 21 28  1  0  0  0  0
 33 22  1  0  0  0  0
 27 21  1  0  0  0  0
 20 21  1  0  0  0  0
  2  5  1  0  0  0  0
  9 10  1  0  0  0  0
  5  3  1  0  0  0  0
 10 11  1  0  0  0  0
  3  4  1  0  0  0  0
 10 12  1  0  0  0  0
 22 27  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
  2 14  1  1  0  0  0
 10 13  1  0  0  0  0
  4  1  1  0  0  0  0
  3  6  1  1  0  0  0
  6 17  1  0  0  0  0
 28 33  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
G   14  2
COOH
G    7  1
boc
G   17  6
fmoc
M  STY  3   1 SUP   2 SUP   3 SUP
M  SLB  3   1   1   2   2   3   3
M  SAL   1  3  14  15  16
M  SBL   1  1  26
M  SMT   1 COOH
M  SBV   1  26   -0.7800    0.2600
M  SAL   2  7   7   8   9  10  11  12  13
M  SBL   2  1   3
M  SMT   2 boc
M  SBV   2   3    0.0000    0.8200
M  SAL   3 15  17  18  19  20  21  22  23  24  25  26  27  28  29  30  31
M  SAL   3  2  32  33
M  SBL   3  1  30
M  SMT   3 fmoc
M  SBV   3  30    0.8300    0.0700
M  END
$$$$
0258
  -ISIS-  06170512032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    4.4962    0.6907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1881   -0.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8259   -0.6013    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.5187   -0.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3211    0.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0571    1.3902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7701   -1.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1028   -1.8195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2576   -1.5209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0806   -2.0089    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5721   -2.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4123   -2.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9117   -2.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  7  1  0  0  0  0
  2  3  1  0  0  0  0
  7  8  2  0  0  0  0
  3  4  1  0  0  0  0
  7  9  1  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  1  5  1  0  0  0  0
 10 11  1  0  0  0  0
  1  2  1  0  0  0  0
 10 12  1  0  0  0  0
  1  6  1  6  0  0  0
 10 13  1  0  0  0  0
G    7  3
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7   7   8   9  10  11  12  13
M  SBL   1  1   1
M  SMT   1 boc
M  SBV   1   1    0.0600    0.8200
M  END
$$$$
0259
  -ISIS-  06170512042D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.4233    1.9414    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1295    1.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7770    0.6558    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.4616    1.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2491    1.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0288    2.6325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7394   -0.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0794   -0.5541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2287   -0.2712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0609   -0.7625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4458   -0.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3999   -1.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0989   -1.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  7  1  0  0  0  0
  2  3  1  0  0  0  0
  7  8  2  0  0  0  0
  3  4  1  0  0  0  0
  7  9  1  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  1  5  1  0  0  0  0
 10 11  1  0  0  0  0
  1  2  1  0  0  0  0
 10 12  1  0  0  0  0
  1  6  1  1  0  0  0
 10 13  1  0  0  0  0
G    7  3
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7   7   8   9  10  11  12  13
M  SBL   1  1   1
M  SMT   1 boc
M  SBV   1   1    0.0400    0.8200
M  END
$$$$
0260
  -ISIS-  06170512042D

  7  7  0  0  0  0  0  0  0  0999 V2000
    4.4665    0.6965    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1882   -0.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8461   -0.5817    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.5216   -0.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2929    0.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0005    1.3784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8258   -1.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  6  0  0  0
  3  7  1  0  0  0  0
A    7
Cbz
M  END
$$$$
0261
  -ISIS-  06170512052D

  7  7  0  0  0  0  0  0  0  0999 V2000
    0.2877    1.9990    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0468    1.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6694    0.8195    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.2899    1.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0589    1.9960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1597    2.6216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6717    0.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  1  0  0  0
  3  7  1  0  0  0  0
A    7
Cbz
M  END
$$$$
0262
  -ISIS-  06170511212D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.4750    1.2459    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1318    1.6867    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1000    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    2.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0818    1.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8530    1.4523    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0458    0.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2957    3.0135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8458    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5023    2.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8367    3.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1802    3.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4969    3.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1841    2.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792    1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1164    1.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0320    2.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4947    2.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8399    1.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7654    2.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  2  0  0  0  0
  3  4  1  0  0  0  0
 11 12  1  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  1  0  0  0
  6  9  1  0  0  0  0
  9 14  1  0  0  0  0
 10 13  1  0  0  0  0
 13 11  2  0  0  0  0
 12 14  2  0  0  0  0
  6 15  1  0  0  0  0
 15 16  2  0  0  0  0
  4  5  1  0  0  0  0
 17 18  1  0  0  0  0
  6  7  1  0  0  0  0
  2  3  1  0  0  0  0
  4  8  1  6  0  0  0
  1  2  1  0  0  0  0
 15 20  1  0  0  0  0
 16 19  1  0  0  0  0
 19 17  2  0  0  0  0
 18 20  2  0  0  0  0
G    9  6
Ph
G   15  6
Ph
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  6   9  10  11  12  13  14
M  SBL   1  1   6
M  SMT   1 Ph
M  SBV   1   6    0.0100   -0.7600
M  SAL   2  6  15  16  17  18  19  20
M  SBL   2  1  11
M  SMT   2 Ph
M  SBV   2  11   -0.7200   -0.2000
M  END
$$$$
0263
  -ISIS-  06170511232D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.5173    0.9553    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4983    1.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6918    1.6107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6732    0.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0666    0.5893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690    0.7453    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5246   -0.0106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0123    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6963    2.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0299    2.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1860    2.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8530    1.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1981    0.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2277    0.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8838    1.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8796    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1960    1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
 10 11  1  0  0  0  0
  5  1  1  0  0  0  0
  2  3  1  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  1  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
 12 10  2  0  0  0  0
 11 13  2  0  0  0  0
 14 15  2  0  0  0  0
  6  7  1  0  0  0  0
 16 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  3  4  1  0  0  0  0
  8  9  2  0  0  0  0
 14 19  1  0  0  0  0
 15 18  1  0  0  0  0
 18 16  2  0  0  0  0
 17 19  2  0  0  0  0
G    8  6
Ph
G   14  6
Ph
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  6   8   9  10  11  12  13
M  SBL   1  1  14
M  SMT   1 Ph
M  SBV   1  14   -0.1800   -0.6700
M  SAL   2  6  14  15  16  17  18  19
M  SBL   2  1  15
M  SMT   2 Ph
M  SBV   2  15   -0.6900    0.0000
M  END
$$$$
0264
  -ISIS-  06170511252D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.0535    0.0261    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0767    0.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5002    0.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4773   -0.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7499   -0.4107    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.7274   -0.2214    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7208   -1.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7542   -1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1333    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9584    0.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9497    1.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1246    1.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643    1.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7142    1.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5208   -0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7324   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1054   -0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8939   -0.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5219   -1.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0988    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  2  0  0  0  0
  5  1  1  0  0  0  0
 11 12  1  0  0  0  0
  2  3  1  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  1  0  0  0
  6  9  1  0  0  0  0
  9 14  1  0  0  0  0
 10 13  1  0  0  0  0
 13 11  2  0  0  0  0
 12 14  2  0  0  0  0
  6 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
  6  7  1  0  0  0  0
  3  4  1  0  0  0  0
  5  8  1  0  0  0  0
  4  5  1  0  0  0  0
 15 20  1  0  0  0  0
 16 19  1  0  0  0  0
 19 17  2  0  0  0  0
 18 20  2  0  0  0  0
A    8
Cbz
G    9  6
Ph
G   15  6
Ph
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  6   9  10  11  12  13  14
M  SBL   1  1   7
M  SMT   1 Ph
M  SBV   1   7   -0.4100   -0.7200
M  SAL   2  6  15  16  17  18  19  20
M  SBL   2  1  12
M  SMT   2 Ph
M  SBV   2  12   -0.8000    0.2100
M  END
$$$$
0265
  -ISIS-  06170511262D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.9202    0.3636    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9433    1.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3668    1.1482    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3440    0.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6166   -0.0732    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1393    0.1161    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.9237    1.6751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -0.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0708    0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8706    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4963    2.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3035    2.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0818    1.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5178    1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8657   -0.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2387   -0.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0272    0.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552   -1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2322    0.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
 10 11  2  0  0  0  0
  2  3  1  0  0  0  0
 12 13  1  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  1  0  0  0
  3  7  1  6  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 14 12  2  0  0  0  0
 13 15  2  0  0  0  0
  6 10  1  0  0  0  0
 16 17  2  0  0  0  0
  6 16  1  0  0  0  0
 18 19  1  0  0  0  0
  3  4  1  0  0  0  0
  6  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
 16 21  1  0  0  0  0
 17 20  1  0  0  0  0
 20 18  2  0  0  0  0
 19 21  2  0  0  0  0
A    9
Cbz
G   10  6
Ph
G   16  6
Ph
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  6  10  11  12  13  14  15
M  SBL   1  1  12
M  SMT   1 Ph
M  SBV   1  12   -0.2200   -0.8000
M  SAL   2  6  16  17  18  19  20  21
M  SBL   2  1  14
M  SMT   2 Ph
M  SBV   2  14   -0.8000    0.2100
M  END
$$$$
0266
  -ISIS-  06170511282D

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.7152   -3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7141   -4.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4289   -4.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1453   -4.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1425   -3.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4271   -2.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9993   -4.6226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8542   -2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6792   -2.9625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0875   -2.2458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0875   -3.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9125   -3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8000   -2.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3667   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5839   -0.9137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1964   -0.5384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792   -1.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0004   -0.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5659   -1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8000   -1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5169   -2.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2270   -1.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5101   -0.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2273   -1.8269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7934   -1.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 10 14  1  0  0  0  0
 10 20  1  0  0  0  0
  6  1  1  0  0  0  0
 10 13  1  0  0  0  0
  1  2  2  0  0  0  0
 14 15  2  0  0  0  0
  2  7  1  0  0  0  0
 16 17  1  0  0  0  0
  3  4  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
 14 19  1  0  0  0  0
 15 18  1  0  0  0  0
 18 16  2  0  0  0  0
 17 19  2  0  0  0  0
  4  5  1  0  0  0  0
 20 21  2  0  0  0  0
  9 10  1  0  0  0  0
 22 23  1  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  6  0  0  0
  5  6  2  0  0  0  0
 11 12  1  0  0  0  0
 20 25  1  0  0  0  0
 21 24  1  0  0  0  0
 24 22  2  0  0  0  0
 23 25  2  0  0  0  0
A   12
Cbz
G   14 10
Ph
G   20 10
Ph
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  6  14  15  16  17  18  19
M  SBL   1  1   1
M  SMT   1 Ph
M  SBV   1   1    0.7200   -0.5300
M  SAL   2  6  20  21  22  23  24  25
M  SBL   2  1   2
M  SMT   2 Ph
M  SBV   2   2   -0.7200   -0.4200
M  END
$$$$
0267
  -ISIS-  06170511372D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.4753    1.9982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2601    1.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8601    0.8836    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.4358    1.3180    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2062    2.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1297    1.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    1.5831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8760    0.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5143   -0.1982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2474   -0.2271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2597   -0.9640    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3674   -1.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8930   -1.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2798   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  8  9  2  0  0  0  0
  4  5  1  0  0  0  0
  8 10  1  0  0  0  0
  1  5  1  0  0  0  0
 10 11  1  0  0  0  0
  1  2  1  0  0  0  0
 11 12  1  0  0  0  0
  4  6  1  1  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
G    8  3
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7   8   9  10  11  12  13  14
M  SBL   1  1   2
M  SMT   1 boc
M  SBV   1   2   -0.0200    0.7300
M  END
$$$$
0268
  -ISIS-  06170511402D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.7780    1.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5634    0.7360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1413    0.3210    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.7142    0.7510    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4863    1.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4033    0.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9207    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1464   -0.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7696   -0.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7737   -1.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0092   -1.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0020   -0.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3928   -1.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783   -0.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3  4  1  0  0  0  0
  9 10  2  0  0  0  0
  4  5  1  0  0  0  0
 11 12  1  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  4  6  1  1  0  0  0
  9 14  1  0  0  0  0
 10 13  1  0  0  0  0
 13 11  2  0  0  0  0
 12 14  2  0  0  0  0
G    9  8
Ph
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  6   9  10  11  12  13  14
M  SBL   1  1   4
M  SMT   1 Ph
M  SBV   1   4   -0.6200    0.3500
M  END
$$$$
0269
  -ISIS-  06170511452D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.9486   -3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9474   -3.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5206   -4.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0953   -3.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0925   -3.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5188   -2.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3743   -4.1268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625   -2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2333   -3.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8042   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2292   -3.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750   -3.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  1  0  0  0
  5  6  2  0  0  0  0
 10 12  1  0  0  0  0
  6  1  1  0  0  0  0
 11 13  1  0  0  0  0
A   13
Cbz
M  END
$$$$
0270
  -ISIS-  06170511462D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.9486   -3.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9474   -3.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5206   -4.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0953   -3.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0925   -3.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5188   -2.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3743   -4.1268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625   -2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2333   -3.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8042   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2292   -3.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750   -3.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8917   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  6  0  0  0
  5  6  2  0  0  0  0
 10 12  1  0  0  0  0
  6  1  1  0  0  0  0
 11 13  1  0  0  0  0
A   13
Cbz
M  END
$$$$
0271
  -ISIS-  06170511472D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.2111   -2.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2099   -3.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9247   -4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6412   -3.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6383   -2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9229   -2.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951   -4.0559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7750   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4833   -2.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542   -2.8083    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0500   -3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  5  8  1  0  0  0  0
  8 11  1  0  0  0  0
 11  9  1  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  2  3  1  0  0  0  0
  5  6  2  0  0  0  0
 11 12  1  1  0  0  0
A   12
NH2.HCl
M  END
$$$$
0272
  -ISIS-  06170511492D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.4611   -1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4599   -2.6107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1747   -3.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8912   -2.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8883   -1.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1729   -1.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7451   -3.0226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125   -1.7750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0250   -1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3083   -2.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6083   -1.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  3  4  2  0  0  0  0
  8  9  1  0  0  0  0
  1  2  2  0  0  0  0
  9 10  1  0  0  0  0
  4  5  1  0  0  0  0
  9 11  1  6  0  0  0
 10 12  1  0  0  0  0
M  END
$$$$
0273
  -ISIS-  06170511592D

 15 14  0  0  0  0  0  0  0  0999 V2000
    2.2777   -2.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9939   -3.3535    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7053   -2.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4212   -3.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1408   -2.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5644   -3.3506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8567   -3.3521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9947   -4.1812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7097   -4.5928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4196   -4.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7104   -5.4225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4269   -5.8391    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4266   -6.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1374   -5.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1453   -6.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  6  0  0  0
  8  9  1  0  0  0  0
  1  2  1  0  0  0  0
  9 10  2  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  0  0  0  0
  3  4  1  0  0  0  0
 11 12  1  0  0  0  0
  4  5  1  0  0  0  0
 12 13  1  0  0  0  0
  1  6  1  0  0  0  0
 12 14  1  0  0  0  0
  5  7  1  0  0  0  0
 12 15  1  0  0  0  0
G    9  8
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7   9  10  11  12  13  14  15
M  SBL   1  1   2
M  SMT   1 boc
M  SBV   1   2   -0.7100    0.4200
M  END
$$$$
0274
  -ISIS-  06170511592D

 15 14  0  0  0  0  0  0  0  0999 V2000
    2.2777   -2.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9939   -3.3535    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7053   -2.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4212   -3.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1408   -2.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5644   -3.3506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8567   -3.3521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9947   -4.1812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7097   -4.5928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4196   -4.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7104   -5.4225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4269   -5.8391    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4266   -6.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1374   -5.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1453   -6.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  1  0  0  0
  8  9  1  0  0  0  0
  1  2  1  0  0  0  0
  9 10  2  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  0  0  0  0
  3  4  1  0  0  0  0
 11 12  1  0  0  0  0
  4  5  1  0  0  0  0
 12 13  1  0  0  0  0
  1  6  1  0  0  0  0
 12 14  1  0  0  0  0
  5  7  1  0  0  0  0
 12 15  1  0  0  0  0
G    9  8
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7   9  10  11  12  13  14  15
M  SBL   1  1   2
M  SMT   1 boc
M  SBV   1   2   -0.7100    0.4200
M  END
$$$$
0275
  -ISIS-  06170510052D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.5568   -0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0908    0.2415    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9325    1.3553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9499    1.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1648    2.9652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0673    0.7126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1942    0.0465    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7244    1.0411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3069   -0.1482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3489   -1.0748    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3484   -1.5657    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3337   -1.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3040   -1.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2952   -1.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2582   -0.9731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2456   -1.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2807   -2.6411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2104   -0.9228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2109   -1.4693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  4  8  1  0  0  0  0
  7  9  1  6  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 11  1  0  0  0  0
 10 12  1  6  0  0  0
  1  2  1  0  0  0  0
 12 13  1  0  0  0  0
  2  3  1  0  0  0  0
 13 14  1  0  0  0  0
  3  4  1  0  0  0  0
 14 15  1  0  0  0  0
  4  5  2  0  0  0  0
 15 16  1  0  0  0  0
  2  6  1  6  0  0  0
 16 17  2  0  0  0  0
  2  7  1  0  0  0  0
 16 18  1  0  0  0  0
  7  8  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
$$$$
0276
  -ISIS-  06170510062D

 22 23  0  0  0  0  0  0  0  0999 V2000
    2.7395   -2.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4607   -2.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1562   -2.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8784   -2.4135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5205   -1.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0824   -1.1786    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1396   -0.3569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3718   -0.0532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1656    0.7477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8095   -0.8427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2827   -1.3798    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8446   -0.6825    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4870   -1.5799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2296   -2.2004    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9903   -2.5102    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5249   -2.6398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7996   -2.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1011   -2.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6201   -2.2949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3157   -2.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2940   -3.5431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0409   -2.3348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  8  9  2  0  0  0  0
  6 10  1  1  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  1  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
  5 15  1  0  0  0  0
  3  4  1  0  0  0  0
 14 16  1  1  0  0  0
 16 17  1  0  0  0  0
  2  3  1  0  0  0  0
 17 18  1  0  0  0  0
  1  2  1  0  0  0  0
 18 19  1  0  0  0  0
  5  6  1  0  0  0  0
 19 20  1  0  0  0  0
  6  7  1  0  0  0  0
 20 21  2  0  0  0  0
  7  8  1  0  0  0  0
 20 22  1  0  0  0  0
 22  1  1  0  0  0  0
M  END
$$$$
0277
  -ISIS-  06170510072D

 24 25  0  0  0  0  0  0  0  0999 V2000
    5.4448   -1.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1521   -1.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8757   -1.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5829   -1.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3065   -1.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0137   -1.0368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8854   -0.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4944   -0.2383    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6023    0.5791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1449    0.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3059    1.7494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1914   -0.0028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3159   -0.3847    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7068    0.3389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1299   -0.5328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4220   -1.2059    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3121   -1.5601    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1468   -1.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8540   -1.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5776   -1.5755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2848   -1.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0085   -1.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0266   -2.3716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7212   -1.1189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  1  6  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  6  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7 17  1  0  0  0  0
  5  6  1  0  0  0  0
 16 18  1  6  0  0  0
  1  2  1  0  0  0  0
 18 19  1  0  0  0  0
  3  4  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  4  5  1  0  0  0  0
 21 22  1  0  0  0  0
  2  3  1  0  0  0  0
 22 23  2  0  0  0  0
  7  8  1  0  0  0  0
 22 24  1  0  0  0  0
 24  1  1  0  0  0  0
M  END
$$$$
0278
  -ISIS-  06170510072D

 26 27  0  0  0  0  0  0  0  0999 V2000
    7.5150   -0.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1802   -0.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8910   -0.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5558    0.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2666   -0.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9453    0.0608    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4099   -0.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7717    0.5599    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6457    1.2892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566    1.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4918    2.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0227    0.8512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5528    0.4500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9125    1.1039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3398    0.3356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6771   -0.2832    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9769   -0.6115    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3823   -0.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0513   -0.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7662   -0.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4231   -0.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1339   -0.5081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1686   -1.2412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8084   -0.1099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3052   -1.0716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6494   -0.2786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  2  0  0  0  0
  8 12  1  6  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  6  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7 17  1  0  0  0  0
  5  6  1  0  0  0  0
 16 18  1  6  0  0  0
  1  2  1  0  0  0  0
 18 19  1  0  0  0  0
  3  4  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  4  5  1  0  0  0  0
 21 22  1  0  0  0  0
  2  3  1  0  0  0  0
 22 23  2  0  0  0  0
  7  8  1  0  0  0  0
 22 24  1  0  0  0  0
 24  1  1  0  0  0  0
  8  9  1  0  0  0  0
  5 25  2  0  0  0  0
  9 10  1  0  0  0  0
  6 26  1  0  0  0  0
M  END
$$$$
0279
  -ISIS-  06170510072D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -2.2136   -1.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8852   -0.4764    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0651    0.3274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3516    0.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2680    1.5657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5303   -0.2490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0643   -0.5552    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7359    0.1999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2476   -0.6336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  1  0  0  0  0
  4  5  2  0  0  0  0
 15 16  1  0  0  0  0
  2  6  1  1  0  0  0
 16 17  2  0  0  0  0
  2  7  1  0  0  0  0
 16 18  1  0  0  0  0
  7  8  1  0  0  0  0
 18 19  1  0  0  0  0
  4  8  1  0  0  0  0
 19 20  2  0  0  0  0
  7  9  1  1  0  0  0
 20 21  1  0  0  0  0
  7 10  1  0  0  0  0
 21 22  2  0  0  0  0
 10 11  1  0  0  0  0
 22 23  1  0  0  0  0
  1 11  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 10 12  1  1  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
  1  2  1  0  0  0  0
 26 27  1  0  0  0  0
 12 13  1  0  0  0  0
 25 28  1  0  0  0  0
  2  3  1  0  0  0  0
 24 29  1  0  0  0  0
 13 14  1  0  0  0  0
 23 30  1  0  0  0  0
  3  4  1  0  0  0  0
 22 31  1  0  0  0  0
M  END
$$$$
0280
  -ISIS-  06170510082D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.6104   -2.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1650   -1.8846    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2116   -1.0634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4377   -0.7706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    0.0318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8803   -1.4758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3679   -2.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0775   -1.4002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4251   -2.3116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3212   -2.9168    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0838   -3.2197    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3783   -3.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1174   -2.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8423   -3.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  1  0  0  0  0
  1 11  1  0  0  0  0
 10 12  1  1  0  0  0
  1  2  1  0  0  0  0
 12 13  1  0  0  0  0
  2  3  1  0  0  0  0
 13 14  1  0  0  0  0
  3  4  1  0  0  0  0
 14 15  1  0  0  0  0
  4  5  2  0  0  0  0
 15 16  1  0  0  0  0
  2  6  1  1  0  0  0
 16 17  2  0  0  0  0
  2  7  1  0  0  0  0
 16 18  1  0  0  0  0
  7  8  1  0  0  0  0
 18 19  1  0  0  0  0
  4  8  1  0  0  0  0
 19 20  2  0  0  0  0
  7  9  1  1  0  0  0
 20 21  1  0  0  0  0
  7 10  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
$$$$
0281
  -ISIS-  06170510082D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.0268   -2.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4743   -1.7200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2829   -0.6937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2072   -0.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571    0.8427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5076   -1.3275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5059   -1.8502    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9534   -0.9120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5435   -1.9874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6957   -2.8804    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7885   -3.3773    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6338   -3.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4998   -2.7515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4408   -3.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3068   -2.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2455   -3.0836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3236   -4.1241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1208   -2.4965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0579   -2.9569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9239   -2.3705    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   10.0725   -1.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8649   -2.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0945   -1.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5876   -2.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3153   -0.6079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0597   -3.8694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
 12 13  1  0  0  0  0
  2  3  1  0  0  0  0
 13 14  1  0  0  0  0
  3  4  1  0  0  0  0
 14 15  1  0  0  0  0
  4  5  2  0  0  0  0
 15 16  1  0  0  0  0
  2  6  1  6  0  0  0
 16 17  2  0  0  0  0
  2  7  1  0  0  0  0
 16 18  1  0  0  0  0
  7  8  1  0  0  0  0
 18 19  1  0  0  0  0
  4  8  1  0  0  0  0
 19 20  1  0  0  0  0
  7  9  1  6  0  0  0
 20 21  1  0  0  0  0
  7 10  1  0  0  0  0
 20 22  1  0  0  0  0
 10 11  1  0  0  0  0
 21 23  1  0  0  0  0
  1 11  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  1  0  0  0  0
 21 25  2  0  0  0  0
 10 12  1  6  0  0  0
 22 26  2  0  0  0  0
M  END
$$$$
0282
  -ISIS-  06170510082D

 24 26  0  0  0  0  0  0  0  0999 V2000
    3.6120   -0.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9196   -0.0982    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7210    0.7020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4242    1.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4929    1.9666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1397    0.1633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7412   -0.1531    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0488    0.6097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5667   -0.2093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9384   -0.9573    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2485   -1.3914    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7030   -1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3581   -0.7672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1218   -1.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7769   -0.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5407   -0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6507   -1.7129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2010   -0.3904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6254   -0.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9668   -0.7086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0756   -1.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8463   -1.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4928   -1.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3913   -0.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 10 12  1  1  0  0  0
  1  2  1  0  0  0  0
 12 13  1  0  0  0  0
  2  3  1  0  0  0  0
 13 14  1  0  0  0  0
  3  4  1  0  0  0  0
 14 15  1  0  0  0  0
  4  5  2  0  0  0  0
 15 16  1  0  0  0  0
  2  6  1  1  0  0  0
 16 17  2  0  0  0  0
  2  7  1  0  0  0  0
 16 18  1  0  0  0  0
  7  8  1  0  0  0  0
  4  8  1  0  0  0  0
 19 20  2  0  0  0  0
  7  9  1  1  0  0  0
 20 21  1  0  0  0  0
  7 10  1  0  0  0  0
 21 22  2  0  0  0  0
 10 11  1  0  0  0  0
 22 23  1  0  0  0  0
  1 11  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
$$$$
0283
  -ISIS-  06170510092D

 38 40  0  0  0  0  0  0  0  0999 V2000
    1.2982    0.0257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6890    0.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0304    0.1881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9479   -0.7255    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1248   -0.6251    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2279   -1.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3797   -1.9438    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1053   -1.5395    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7923    1.4134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8572   -1.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5371   -1.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2717   -1.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9664   -1.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3958   -1.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6809   -2.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7710   -0.8247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6981   -0.5234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1083   -1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5376   -1.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2498   -1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9665   -1.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6787   -1.3258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3954   -1.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1076   -1.3178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4000   -2.5593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9292   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8188   -0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2207   -0.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2420   -1.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8431   -1.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1293   -1.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9167   -0.2750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.1125   -0.2625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.7250   -1.2917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.2667   -2.2417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.8125   -2.2542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
 15 19  1  0  0  0  0
  2  9  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  8 10  1  6  0  0  0
 21 22  1  0  0  0  0
  4  1  1  0  0  0  0
 22 23  1  0  0  0  0
 10 11  1  0  0  0  0
 23 24  1  0  0  0  0
  1  2  1  0  0  0  0
 24 25  1  0  0  0  0
 11 12  1  0  0  0  0
 25 26  1  0  0  0  0
  2  3  1  0  0  0  0
 25 27  2  0  0  0  0
 12 13  1  0  0  0  0
 26 28  1  0  0  0  0
  3  5  1  0  0  0  0
 13 14  1  0  0  0  0
 29 30  2  0  0  0  0
 30 28  1  0  0  0  0
  5  6  1  0  0  0  0
 28 31  2  0  0  0  0
 14 15  1  0  0  0  0
 31 32  1  0  0  0  0
  6  7  1  0  0  0  0
 32 33  2  0  0  0  0
 33 29  1  0  0  0  0
 14 16  2  0  0  0  0
 30 34  1  0  0  0  0
  7  8  1  0  0  0  0
 29 35  1  0  0  0  0
  4 17  1  1  0  0  0
 33 36  1  0  0  0  0
  8  4  1  0  0  0  0
 32 37  1  0  0  0  0
  5 18  1  1  0  0  0
 31 38  1  0  0  0  0
M  END
$$$$
0284
  -ISIS-  06170510102D

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.5774    0.0923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9681    0.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2488    0.2548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2270   -0.6589    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4040   -0.5584    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0512   -1.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6589   -1.8772    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3845   -1.4729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0715    1.4801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1364   -1.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8163   -1.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5508   -1.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2455   -1.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9583   -1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750   -1.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9600   -2.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0502   -0.7580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4189   -0.4567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1000   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8168   -1.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5289   -1.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2457   -1.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9578   -1.2591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6746   -1.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3868   -1.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1035   -1.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8157   -1.2432    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   13.5668   -1.5758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1154   -0.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6989   -0.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8930   -0.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2753    0.1234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7414   -2.3821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6792   -2.4926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4 17  1  1  0  0  0
  8  4  1  0  0  0  0
  5 18  1  1  0  0  0
  4  5  1  0  0  0  0
 15 19  1  0  0  0  0
  2  9  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  8 10  1  6  0  0  0
 21 22  1  0  0  0  0
  4  1  1  0  0  0  0
 22 23  1  0  0  0  0
 10 11  1  0  0  0  0
 23 24  1  0  0  0  0
  1  2  1  0  0  0  0
 24 25  1  0  0  0  0
 11 12  1  0  0  0  0
 25 26  1  0  0  0  0
  2  3  1  0  0  0  0
 26 27  1  0  0  0  0
 12 13  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
  3  5  1  0  0  0  0
 13 14  1  0  0  0  0
  5  6  1  0  0  0  0
 14 15  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 28  1  0  0  0  0
  6  7  1  0  0  0  0
 32 33  2  0  0  0  0
 14 16  2  0  0  0  0
 29 34  2  0  0  0  0
  7  8  1  0  0  0  0
 25 35  2  0  0  0  0
M  END
$$$$
0285
  -ISIS-  06170509592D

 26 29  0  0  0  0  0  0  0  0999 V2000
    3.6682   -2.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2874   -3.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7329   -3.9781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5592   -3.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9378   -3.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4901   -2.5087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7711   -3.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1468   -2.4215    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.5271   -1.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3555   -1.6461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2838   -0.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4554   -0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7317   -0.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0749   -0.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8774   -2.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9174   -3.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3420   -3.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3020   -2.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6473   -3.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673   -2.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4403   -2.0901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184   -2.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6731   -3.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4951   -3.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2370   -2.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8808   -2.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  1  2  2  0  0  0  0
  9 14  1  0  0  0  0
 10 13  1  0  0  0  0
 13 11  2  0  0  0  0
 12 14  2  0  0  0  0
  5  7  1  0  0  0  0
 15 16  2  0  0  0  0
  3  4  2  0  0  0  0
 17 18  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  8 21  1  0  0  0  0
 15 20  1  0  0  0  0
 16 19  1  0  0  0  0
 19 17  2  0  0  0  0
 18 20  2  0  0  0  0
 21 22  2  0  0  0  0
  9 10  2  0  0  0  0
 23 24  1  0  0  0  0
  4  5  1  0  0  0  0
 11 12  1  0  0  0  0
  2  3  1  0  0  0  0
  5  6  2  0  0  0  0
 21 26  1  0  0  0  0
 22 25  1  0  0  0  0
 25 23  2  0  0  0  0
 24 26  2  0  0  0  0
G    9  8
Ph
G   15  8
Ph
G   21  8
Ph
M  STY  3   1 SUP   2 SUP   3 SUP
M  SLB  3   1   1   2   2   3   3
M  SAL   1  6   9  10  11  12  13  14
M  SBL   1  1  12
M  SMT   1 Ph
M  SBV   1  12   -0.3800   -0.7400
M  SAL   2  6  15  16  17  18  19  20
M  SBL   2  1  13
M  SMT   2 Ph
M  SBV   2  13   -0.7300    0.3700
M  SAL   3  6  21  22  23  24  25  26
M  SBL   3  1  14
M  SMT   3 Ph
M  SBV   3  14    0.7100   -0.3400
M  END
$$$$
0286
  -ISIS-  06170510002D

 27 30  0  0  0  0  0  0  0  0999 V2000
    5.3562   -3.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7384   -2.3838    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    5.1162   -2.0307    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    4.5250   -3.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0824   -2.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2637   -2.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8803   -3.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3214   -3.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1454   -3.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4556   -2.3092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2325   -2.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7304   -0.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9535   -0.9668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3685   -1.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8148   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1133   -1.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4012   -2.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7379   -1.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4500   -1.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2106   -2.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6347   -0.9222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2313   -3.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4576   -3.3405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9402   -4.6774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7139   -4.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3135   -4.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8608   -3.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  2  0  0  0  0
  2 16  1  0  0  0  0
  5  6  1  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 14 12  2  0  0  0  0
 13 15  2  0  0  0  0
  2 22  1  0  0  0  0
 16 17  2  0  0  0  0
  6  7  2  0  0  0  0
 18 19  1  0  0  0  0
  7  8  1  0  0  0  0
  2  3  1  0  0  0  0
  8  9  2  0  0  0  0
 16 21  1  0  0  0  0
 17 20  1  0  0  0  0
 20 18  2  0  0  0  0
 19 21  2  0  0  0  0
  9  4  1  0  0  0  0
 22 23  2  0  0  0  0
  1  2  1  0  0  0  0
 24 25  1  0  0  0  0
 10 11  2  0  0  0  0
  1  4  1  0  0  0  0
 12 13  1  0  0  0  0
  2 10  1  0  0  0  0
 22 27  1  0  0  0  0
 23 26  1  0  0  0  0
 26 24  2  0  0  0  0
 25 27  2  0  0  0  0
G   10  2
Ph
G   16  2
Ph
G   22  2
Ph
M  CHG  2   2   1   3  -1
M  STY  3   1 SUP   2 SUP   3 SUP
M  SLB  3   1   1   2   2   3   3
M  SAL   1  6  10  11  12  13  14  15
M  SBL   1  1  26
M  SMT   1 Ph
M  SBV   1  26   -0.7200   -0.0800
M  SAL   2  6  16  17  18  19  20  21
M  SBL   2  1   2
M  SMT   2 Ph
M  SBV   2   2   -0.3800   -0.8300
M  SAL   3  6  22  23  24  25  26  27
M  SBL   3  1   8
M  SMT   3 Ph
M  SBV   3   8   -0.4900    0.6700
M  END
$$$$
0287
  -ISIS-  06170510002D

 28 30  0  0  0  0  0  0  0  0999 V2000
    2.2042   -3.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5333   -4.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000   -2.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0208   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9679   -3.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8381   -3.5409    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    4.3000   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -2.4958    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    6.5417   -2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1836   -2.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5378   -1.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8959   -1.4695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1808   -1.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8970   -2.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5125   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8848   -5.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9896   -4.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6214   -3.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6223   -5.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8777   -3.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635   -3.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8891   -5.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5298   -4.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2568   -4.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5382   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  7  8  1  0  0  0  0
  8 11  1  0  0  0  0
 11 16  1  0  0  0  0
 12 15  1  0  0  0  0
 15 13  2  0  0  0  0
 14 16  2  0  0  0  0
  8 17  1  0  0  0  0
 17 18  2  0  0  0  0
  8 23  1  0  0  0  0
 19 20  1  0  0  0  0
  7  9  1  0  0  0  0
  6  9  1  0  0  0  0
  3  5  1  0  0  0  0
 17 22  1  0  0  0  0
 18 21  1  0  0  0  0
 21 19  2  0  0  0  0
 20 22  2  0  0  0  0
  8 10  1  0  0  0  0
 23 24  2  0  0  0  0
  2  3  1  0  0  0  0
 25 26  1  0  0  0  0
 11 12  2  0  0  0  0
  1  6  1  0  0  0  0
 13 14  1  0  0  0  0
  1  2  1  0  0  0  0
 23 28  1  0  0  0  0
 24 27  1  0  0  0  0
 27 25  2  0  0  0  0
 26 28  2  0  0  0  0
G   11  8
Ph
G   17  8
Ph
G   23  8
Ph
M  CHG  2   8   1  10  -1
M  STY  3   1 SUP   2 SUP   3 SUP
M  SLB  3   1   1   2   2   3   3
M  SAL   1  6  11  12  13  14  15  16
M  SBL   1  1   3
M  SMT   1 Ph
M  SBV   1   3   -0.7100   -0.9500
M  SAL   2  6  17  18  19  20  21  22
M  SBL   2  1   8
M  SMT   2 Ph
M  SBV   2   8   -0.6800    0.8600
M  SAL   3  6  23  24  25  26  27  28
M  SBL   3  1  10
M  SMT   3 Ph
M  SBV   3  10   -1.0700    0.0600
M  END
$$$$
0288
  -ISIS-  06170510012D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.8792   -3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -4.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -2.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4542   -4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7649   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9846   -3.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8589   -3.4701    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.3042   -3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169   -2.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5628   -1.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9168   -1.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2142   -1.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9178   -2.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5417   -4.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9140   -4.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0312   -4.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6548   -3.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6556   -4.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9069   -3.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9333   -3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2843   -3.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9183   -5.0088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673   -4.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2818   -4.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5715   -3.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  7  8  2  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 14 12  2  0  0  0  0
 13 15  2  0  0  0  0
  8 10  1  0  0  0  0
 16 17  2  0  0  0  0
  8 16  1  0  0  0  0
 18 19  1  0  0  0  0
  8 22  1  0  0  0  0
  7  9  1  0  0  0  0
  6  9  1  0  0  0  0
 16 21  1  0  0  0  0
 17 20  1  0  0  0  0
 20 18  2  0  0  0  0
 19 21  2  0  0  0  0
  3  5  1  0  0  0  0
 22 23  2  0  0  0  0
 10 11  2  0  0  0  0
 24 25  1  0  0  0  0
  2  3  1  0  0  0  0
 12 13  1  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
 22 27  1  0  0  0  0
 23 26  1  0  0  0  0
 26 24  2  0  0  0  0
 25 27  2  0  0  0  0
G   10  8
Ph
G   16  8
Ph
G   22  8
Ph
M  STY  3   1 SUP   2 SUP   3 SUP
M  SLB  3   1   1   2   2   3   3
M  SAL   1  6  10  11  12  13  14  15
M  SBL   1  1   7
M  SMT   1 Ph
M  SBV   1   7   -0.7100   -0.9600
M  SAL   2  6  16  17  18  19  20  21
M  SBL   2  1   9
M  SMT   2 Ph
M  SBV   2   9   -0.6900    0.8600
M  SAL   3  6  22  23  24  25  26  27
M  SBL   3  1  11
M  SMT   3 Ph
M  SBV   3  11   -1.0800    0.0600
M  END
$$$$
0289
  -ISIS-  06170510012D

 27 29  0  0  0  0  0  0  0  0999 V2000
    5.1637   -3.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0422   -3.4701    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    4.4833   -3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750   -3.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -2.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -2.5000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    6.7500   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3961   -2.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7462   -1.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0959   -1.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3975   -1.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0970   -2.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7208   -4.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0973   -4.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2146   -4.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8381   -3.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8390   -4.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0902   -3.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167   -3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4677   -3.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1016   -5.0088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7506   -4.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4610   -4.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7548   -3.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 16  1  0  0  0  0
  5  6  1  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 14 12  2  0  0  0  0
 13 15  2  0  0  0  0
  2 22  1  0  0  0  0
 16 17  2  0  0  0  0
  4  7  2  0  0  0  0
 18 19  1  0  0  0  0
  6  8  1  0  0  0  0
  1  3  1  0  0  0  0
  2  9  1  0  0  0  0
 16 21  1  0  0  0  0
 17 20  1  0  0  0  0
 20 18  2  0  0  0  0
 19 21  2  0  0  0  0
  1  2  1  0  0  0  0
 22 23  2  0  0  0  0
 10 11  2  0  0  0  0
 24 25  1  0  0  0  0
  3  4  1  0  0  0  0
 12 13  1  0  0  0  0
  2 10  1  0  0  0  0
  4  5  1  0  0  0  0
 22 27  1  0  0  0  0
 23 26  1  0  0  0  0
 26 24  2  0  0  0  0
 25 27  2  0  0  0  0
G   10  2
Ph
G   16  2
Ph
G   22  2
Ph
M  CHG  2   2   1   9  -1
M  STY  3   1 SUP   2 SUP   3 SUP
M  SLB  3   1   1   2   2   3   3
M  SAL   1  6  10  11  12  13  14  15
M  SBL   1  1  24
M  SMT   1 Ph
M  SBV   1  24   -0.7100   -0.9600
M  SAL   2  6  16  17  18  19  20  21
M  SBL   2  1   1
M  SMT   2 Ph
M  SBV   2   1   -0.6800    0.8600
M  SAL   3  6  22  23  24  25  26  27
M  SBL   3  1   7
M  SMT   3 Ph
M  SBV   3   7   -1.0700    0.0600
M  END
$$$$
0290
  -ISIS-  06170510012D

 27 29  0  0  0  0  0  0  0  0999 V2000
    5.2262   -3.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1131   -3.4493    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    4.5333   -3.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6958   -3.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -3.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -2.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250   -3.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7125   -2.4708    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    6.8333   -2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4919   -2.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8295   -0.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1709   -1.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4892   -1.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1720   -2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8083   -4.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1848   -4.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3187   -4.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9381   -3.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9390   -4.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1819   -3.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468   -3.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1891   -5.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8464   -4.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5401   -4.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8548   -3.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 16  1  0  0  0  0
  5  6  1  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 14 12  2  0  0  0  0
 13 15  2  0  0  0  0
  2 22  1  0  0  0  0
 16 17  2  0  0  0  0
  4  7  2  0  0  0  0
 18 19  1  0  0  0  0
  6  8  1  0  0  0  0
  1  3  1  0  0  0  0
  2  9  1  0  0  0  0
 16 21  1  0  0  0  0
 17 20  1  0  0  0  0
 20 18  2  0  0  0  0
 19 21  2  0  0  0  0
  1  2  1  0  0  0  0
 22 23  2  0  0  0  0
 10 11  2  0  0  0  0
 24 25  1  0  0  0  0
  3  4  1  0  0  0  0
 12 13  1  0  0  0  0
  2 10  1  0  0  0  0
  4  5  1  0  0  0  0
 22 27  1  0  0  0  0
 23 26  1  0  0  0  0
 26 24  2  0  0  0  0
 25 27  2  0  0  0  0
G   10  2
Ph
G   16  2
Ph
G   22  2
Ph
M  CHG  2   2   1   9  -1
M  STY  3   1 SUP   2 SUP   3 SUP
M  SLB  3   1   1   2   2   3   3
M  SAL   1  6  10  11  12  13  14  15
M  SBL   1  1  24
M  SMT   1 Ph
M  SBV   1  24   -0.7200   -0.9700
M  SAL   2  6  16  17  18  19  20  21
M  SBL   2  1   1
M  SMT   2 Ph
M  SBV   2   1   -0.6900    0.8800
M  SAL   3  6  22  23  24  25  26  27
M  SBL   3  1   7
M  SMT   3 Ph
M  SBV   3   7   -1.0900    0.0600
M  END
$$$$
0291
  -ISIS-  06170510022D

 26 28  0  0  0  0  0  0  0  0999 V2000
    5.3804   -3.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3006   -3.4118    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.6708   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -3.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0875   -3.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2208   -3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7958   -2.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0458   -2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7294   -1.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0420   -0.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3626   -1.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7267   -1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3637   -2.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0208   -4.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4140   -4.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5854   -4.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1881   -3.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1890   -4.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4069   -3.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4333   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7510   -3.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4183   -5.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0923   -4.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7443   -4.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1007   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 15  1  0  0  0  0
  9 14  1  0  0  0  0
 10 13  1  0  0  0  0
 13 11  2  0  0  0  0
 12 14  2  0  0  0  0
  5  6  1  0  0  0  0
 15 16  2  0  0  0  0
  2 21  1  0  0  0  0
 17 18  1  0  0  0  0
  4  7  2  0  0  0  0
  6  8  1  0  0  0  0
  1  3  1  0  0  0  0
 15 20  1  0  0  0  0
 16 19  1  0  0  0  0
 19 17  2  0  0  0  0
 18 20  2  0  0  0  0
  9 10  2  0  0  0  0
 21 22  2  0  0  0  0
  1  2  2  0  0  0  0
 23 24  1  0  0  0  0
 11 12  1  0  0  0  0
  3  4  1  0  0  0  0
  2  9  1  0  0  0  0
  4  5  1  0  0  0  0
 21 26  1  0  0  0  0
 22 25  1  0  0  0  0
 25 23  2  0  0  0  0
 24 26  2  0  0  0  0
G    9  2
Ph
G   15  2
Ph
G   21  2
Ph
M  STY  3   1 SUP   2 SUP   3 SUP
M  SLB  3   1   1   2   2   3   3
M  SAL   1  6   9  10  11  12  13  14
M  SBL   1  1  23
M  SMT   1 Ph
M  SBV   1  23   -0.7400   -1.0100
M  SAL   2  6  15  16  17  18  19  20
M  SBL   2  1   1
M  SMT   2 Ph
M  SBV   2   1   -0.7200    0.9000
M  SAL   3  6  21  22  23  24  25  26
M  SBL   3  1   8
M  SMT   3 Ph
M  SBV   3   8   -1.1300    0.0600
M  END
$$$$
0292
  -ISIS-  06170509492D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.9936   -1.4604    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7500   -1.4583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3667   -0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2833   -0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3361   -2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3349   -3.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9914   -3.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6495   -3.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6466   -2.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9896   -2.1539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  6  0  0  0
  2  3  1  6  0  0  0
  6  7  2  0  0  0  0
  1  2  1  0  0  0  0
  7  8  1  0  0  0  0
  2  4  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  4  5  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
$$$$
0293
  -ISIS-  06170509502D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.9936   -1.4604    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7500   -1.4583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3667   -0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2833   -0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3361   -2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3349   -3.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9914   -3.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6495   -3.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6466   -2.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9896   -2.1539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  6  0  0  0
  2  3  1  6  0  0  0
  6  7  2  0  0  0  0
  1  2  1  0  0  0  0
  7  8  1  0  0  0  0
  2  4  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  4  5  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
$$$$
0294
  -ISIS-  06170509512D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.9936   -1.4604    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7500   -1.4583    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3667   -0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2833   -0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3361   -2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3349   -3.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9914   -3.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6495   -3.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6466   -2.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9896   -2.1539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -2.1544    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9912   -4.4319    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  2  0  0  0  0
  1  2  1  0  0  0  0
  7  8  1  0  0  0  0
  2  4  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  4  5  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
  1 11  1  0  0  0  0
  1  3  1  1  0  0  0
  6 12  1  0  0  0  0
  2  3  1  1  0  0  0
  8 13  1  0  0  0  0
M  END
$$$$
0295
  -ISIS-  06170509522D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.9936   -1.4604    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7500   -1.4583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3667   -0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2833   -0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3361   -2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3349   -3.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9914   -3.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6495   -3.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6466   -2.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9896   -2.1539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -2.1544    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9912   -4.4319    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  2  0  0  0  0
  1  2  1  0  0  0  0
  7  8  1  0  0  0  0
  2  4  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  4  5  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
  1 11  1  0  0  0  0
  1  3  1  6  0  0  0
  6 12  1  0  0  0  0
  2  3  1  6  0  0  0
  8 13  1  0  0  0  0
M  END
$$$$
0296
  -ISIS-  06170509542D

 15 15  0  0  0  0  0  0  0  0999 V2000
    1.0430    0.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3271   -0.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3284   -0.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0447   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7573   -0.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7567   -0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4770   -1.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1987   -0.9380    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2030   -0.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9142    0.2964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4856    0.2972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4839    1.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9097   -1.3580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6198   -1.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3308   -2.2025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  1  0  0  0
  4  5  1  0  0  0  0
  9 10  2  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  0  0  0  0
  5  6  2  0  0  0  0
 11 12  1  0  0  0  0
  6  1  1  0  0  0  0
  1  2  2  0  0  0  0
  5  7  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  2  0  0  0  0
G   13  8
NCO
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  13  14  15
M  SBL   1  1   4
M  SMT   1 NCO
M  SBV   1   4   -0.7100    0.4200
M  END
$$$$
0297
  -ISIS-  06170509542D

 15 15  0  0  0  0  0  0  0  0999 V2000
    1.0430    0.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3271   -0.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3284   -0.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0447   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7573   -0.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7567   -0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4770   -1.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1987   -0.9380    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2030   -0.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9142    0.2964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4856    0.2972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9097   -1.3580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6198   -1.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3308   -2.2025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  6  0  0  0
  4  5  1  0  0  0  0
  9 10  2  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  0  0  0  0
  5  6  2  0  0  0  0
 11 12  1  0  0  0  0
  6  1  1  0  0  0  0
  1  2  2  0  0  0  0
  5  7  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  2  0  0  0  0
G   13  8
NCO
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  13  14  15
M  SBL   1  1   4
M  SMT   1 NCO
M  SBV   1   4   -0.7100    0.4200
M  END
$$$$
0298
  -ISIS-  06170509562D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4770   -1.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1987   -0.9338    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1988   -0.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9100    0.3047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4815    0.3055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7630   -0.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7650   -0.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0479   -1.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461   -2.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7631   -2.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4772   -2.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9139   -1.3497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6282   -1.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3434   -2.1858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  1  2  1  0  0  0  0
  7  8  1  0  0  0  0
  3  4  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  3  5  1  0  0  0  0
 10 11  2  0  0  0  0
 11  1  1  0  0  0  0
  2  3  1  0  0  0  0
  5  6  1  0  0  0  0
  2 12  1  1  0  0  0
 12 13  2  0  0  0  0
 13 14  2  0  0  0  0
G   12  2
NCO
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  12  13  14
M  SBL   1  1  12
M  SMT   1 NCO
M  SBV   1  12   -0.7200    0.4100
M  END
$$$$
0299
  -ISIS-  06170510182D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -1.0777    0.2063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2433   -0.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8050   -0.6236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3670   -0.3063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5373    0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3986    0.6427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1483   -0.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2614   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5501   -0.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  4  8  1  1  0  0  0
  1  2  1  0  0  0  0
  1  6  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
A    7
H^Cl
G    8  4
COOH
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3   8   9  10
M  SBL   1  1   3
M  SMT   1 COOH
M  SBV   1   3   -0.5200    0.1700
M  END
$$$$
0300
  -ISIS-  06170509572D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4770   -1.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1987   -0.9338    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1988   -0.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9100    0.3047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4815    0.3055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7630   -0.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7650   -0.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0479   -1.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461   -2.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7631   -2.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4772   -2.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9139   -1.3497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6282   -1.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3434   -2.1858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  1  2  1  0  0  0  0
  7  8  1  0  0  0  0
  3  4  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  3  5  1  0  0  0  0
 10 11  2  0  0  0  0
 11  1  1  0  0  0  0
  2  3  1  0  0  0  0
  5  6  1  0  0  0  0
  2 12  1  6  0  0  0
 12 13  2  0  0  0  0
 13 14  2  0  0  0  0
G   12  2
NCO
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  12  13  14
M  SBL   1  1  12
M  SMT   1 NCO
M  SBV   1  12   -0.7200    0.4100
M  END
$$$$
0302
  -ISIS-  06170509552D

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.0430    0.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3271   -0.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3284   -0.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0447   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7573   -0.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7567   -0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4770   -1.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1987   -0.9380    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2030   -0.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9142    0.2964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4856    0.2972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3866    0.3126    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9097   -1.3580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6198   -1.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3308   -2.2025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  6  0  0  0
  4  5  1  0  0  0  0
  9 10  2  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  0  0  0  0
  5  6  2  0  0  0  0
 11 12  1  0  0  0  0
  6  1  1  0  0  0  0
  2 13  1  0  0  0  0
  1  2  2  0  0  0  0
  5  7  1  0  0  0  0
  3  4  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  2  0  0  0  0
G   14  8
NCO
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  14  15  16
M  SBL   1  1   3
M  SMT   1 NCO
M  SBV   1   3   -0.7100    0.4200
M  END
$$$$
0303
  -ISIS-  06170509582D

 15 15  0  0  0  0  0  0  0  0999 V2000
    2.4770   -1.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1987   -0.9338    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1988   -0.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9100    0.3047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4815    0.3055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7630   -0.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7650   -0.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0479   -1.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461   -2.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7631   -2.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4772   -2.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3313   -2.5880    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9139   -1.3497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6282   -1.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3434   -2.1858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  7  8  1  0  0  0  0
  3  4  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  3  5  1  0  0  0  0
 10 11  2  0  0  0  0
 11  1  1  0  0  0  0
  2  3  1  0  0  0  0
  9 12  1  0  0  0  0
  5  6  1  0  0  0  0
  2 13  1  4  0  0  0
  1  7  2  0  0  0  0
 13 14  2  0  0  0  0
 14 15  2  0  0  0  0
G   13  2
NCO
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  13  14  15
M  SBL   1  1  12
M  SMT   1 NCO
M  SBV   1  12   -0.7200    0.4100
M  END
$$$$
0304
  -ISIS-  06170509582D

 15 15  0  0  0  0  0  0  0  0999 V2000
    2.4228   -1.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -0.9005    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2322    0.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0267    0.4881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4273    0.4889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6214    0.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6233   -0.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8188   -1.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8169   -2.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6214   -2.7559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230   -2.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2251   -2.7556    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0347   -1.3664    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8324   -1.8367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350   -2.3067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  7  8  1  0  0  0  0
  3  4  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  3  5  1  0  0  0  0
 10 11  2  0  0  0  0
 11  1  1  0  0  0  0
  2  3  1  0  0  0  0
 11 12  1  0  0  0  0
  5  6  1  0  0  0  0
  2 13  1  4  0  0  0
  1  7  2  0  0  0  0
 13 14  2  0  0  0  0
 14 15  2  0  0  0  0
G   13  2
NCO
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  13  14  15
M  SBL   1  1  12
M  SMT   1 NCO
M  SBV   1  12   -0.8100    0.4600
M  END
$$$$
0305
  -ISIS-  06170510432D

 20 21  0  0  0  0  0  0  0  0999 V2000
    5.7078   -1.9990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157   -1.1374    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4760   -0.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4760   -0.0635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9995    0.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2805    0.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5588    0.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5607   -0.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2802   -1.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1492   -1.3468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2820   -1.9605    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9420   -2.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7624   -2.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1759   -3.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7673   -4.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9430   -4.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5334   -3.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9365   -1.2815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10  5  1  0  0  0  0
  2  1  1  6  0  0  0
  3 11  1  0  0  0  0
  1 13  1  0  0  0  0
  5  6  2  0  0  0  0
 10 12  1  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  3  4  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  2  5  1  0  0  0  0
  9 10  2  0  0  0  0
 14 19  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  2  0  0  0  0
G   13  1
bz
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  8  13  14  15  16  17  18  19  20
M  SBL   1  1   4
M  SMT   1 bz
M  SBV   1   4   -0.8200    0.0000
M  END
$$$$
0306
  -ISIS-  06170510442D

 13 13  0  0  0  0  0  0  0  0999 V2000
    5.7078   -1.9990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157   -1.1374    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4760   -0.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4760   -0.0635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9995    0.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2805    0.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5588    0.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5607   -0.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2802   -1.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8442    0.5255    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1492   -1.3468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  1  0  0  0  0
  3  4  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  2  5  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  2  1  1  1  0  0  0
  8 11  1  0  0  0  0
  5  6  2  0  0  0  0
  3 12  1  0  0  0  0
  2  3  1  0  0  0  0
  1 13  1  0  0  0  0
A   13
Cbz
M  END
$$$$
0309
  -ISIS-  06170511562D

 14 13  0  0  0  0  0  0  0  0999 V2000
    4.3232   -1.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7965   -1.2735    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3804   -1.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9372   -1.1781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7987   -0.5817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7171   -1.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1573   -1.7469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3988   -0.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3977    0.4503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9985   -0.5886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6030   -0.2456    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2003   -0.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6063    0.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1989    0.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  8  1  0  0  0  0
  3  4  1  0  0  0  0
  8  9  2  0  0  0  0
  2  5  1  1  0  0  0
  8 10  1  0  0  0  0
  2  3  1  0  0  0  0
 10 11  1  0  0  0  0
  1  2  1  0  0  0  0
 11 12  1  0  0  0  0
  6  7  1  0  0  0  0
 11 13  1  0  0  0  0
  1  6  1  0  0  0  0
 11 14  1  0  0  0  0
G    8  5
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7   8   9  10  11  12  13  14
M  SBL   1  1   1
M  SMT   1 boc
M  SBV   1   1   -0.6000   -0.3400
M  END
$$$$
0310
  -ISIS-  06170511572D

 14 13  0  0  0  0  0  0  0  0999 V2000
    4.7966   -0.7306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3293   -1.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7863   -1.3137    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3097   -1.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8320   -1.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7346   -1.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1700   -1.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3914   -0.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -0.0688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7817   -1.2880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4880   -1.2490    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8748   -1.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8025   -0.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1898   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  6  0  0  0
  3  4  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  2  0  0  0  0
  4  5  1  0  0  0  0
  8 10  1  0  0  0  0
  2  3  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6  7  1  0  0  0  0
 11 13  1  0  0  0  0
  2  6  1  0  0  0  0
 11 14  1  0  0  0  0
G    8  1
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7   8   9  10  11  12  13  14
M  SBL   1  1   3
M  SMT   1 boc
M  SBV   1   3   -0.5900   -0.0300
M  END
$$$$
0312
  -ISIS-  06170511162D

 10  9  0  0  0  0  0  0  0  0999 V2000
    9.2375    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0125   -0.2792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7917    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0083   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4542   -0.2708    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6708    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8833   -0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625    1.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4458   -1.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5375   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  5  6  1  0  0  0  0
  1  2  1  0  0  0  0
  6  7  1  0  0  0  0
  2  4  1  0  0  0  0
  6  8  2  0  0  0  0
  5  9  1  6  0  0  0
  9 10  1  0  0  0  0
  1  5  1  0  0  0  0
A    7
CH3O
A   10
Cbz
M  END
$$$$
0313
  -ISIS-  06170511172D

 34 38  0  0  0  0  0  0  0  0999 V2000
    2.0875    0.3042    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.6083    0.0042    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6042   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0841   -0.8713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0830   -1.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5061   -1.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9309   -1.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9281   -0.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5043   -0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2402   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2391   -1.3648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6622   -1.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6604   -0.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0833    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6526    0.0094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1258    0.9115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4833    0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1814   -0.2155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1785    0.8289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5745    0.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2725    1.3553    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4496    2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0252    2.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4776    1.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3514    1.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7774    1.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3279    1.4214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5202    1.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0970    2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2224    2.6841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7739    3.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    2.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0734    2.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
  8  9  2  0  0  0  0
  9  4  1  0  0  0  0
 18 19  2  0  0  0  0
  4  5  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 10 11  1  0  0  0  0
 22 29  1  0  0  0  0
 34 23  1  0  0  0  0
 28 22  1  0  0  0  0
 21 22  1  0  0  0  0
  5  6  1  0  0  0  0
 11 12  2  0  0  0  0
 12  5  1  0  0  0  0
  2  3  1  6  0  0  0
  4 13  1  0  0  0  0
 13 10  2  0  0  0  0
 23 28  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
  3 10  1  0  0  0  0
  6  7  2  0  0  0  0
  1 14  1  0  0  0  0
  1 18  1  0  0  0  0
  1  2  1  0  0  0  0
  7  8  1  0  0  0  0
 29 34  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
G   15  2
COOH
G   18  1
fmoc
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  3  15  16  17
M  SBL   1  1   1
M  SMT   1 COOH
M  SBV   1   1   -0.5200   -0.3000
M  SAL   2 15  18  19  20  21  22  23  24  25  26  27  28  29  30  31  32
M  SAL   2  2  33  34
M  SBL   2  1  30
M  SMT   2 fmoc
M  SBV   2  30    0.6000    0.0000
M  END
$$$$
0314
  -ISIS-  06170512002D

 20 20  0  0  0  0  0  0  0  0999 V2000
    1.2590   -2.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2620   -3.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9060   -3.9965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5558   -3.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5529   -2.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -2.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1979   -2.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8396   -2.8646    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8396   -3.6146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4854   -2.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1312   -2.8604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6083   -3.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0395   -3.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5813   -3.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9533   -2.9705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9589   -4.2643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7086   -4.2679    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0824   -4.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0824   -3.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4535   -4.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 14  1  0  0  0  0
  1  2  2  0  0  0  0
 12 13  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2 12  1  0  0  0  0
  5  7  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
G   12  2
OCH3
G   14  9
boc
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  2  12  13
M  SBL   1  1  13
M  SMT   1 OCH3
M  SBV   1  13    0.6500    0.3600
M  SAL   2  7  14  15  16  17  18  19  20
M  SBL   2  1   5
M  SMT   2 boc
M  SBV   2   5   -0.7400    0.0000
M  END
$$$$
0315
  -ISIS-  06170512002D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.6632   -2.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6620   -3.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3226   -4.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9808   -3.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9821   -2.8984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3208   -2.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6396   -2.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2979   -2.8979    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2896   -3.6563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9521   -2.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6104   -2.8854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0458   -3.6542    0.0000 Ac  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6603   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2 13  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
 13 14  1  0  0  0  0
G   13  2
OCH3
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  13  14
M  SBL   1  1   5
M  SMT   1 OCH3
M  SBV   1   5    0.6500    0.3800
M  END
$$$$
0316
  -ISIS-  06170510112D

 23 23  0  0  0  0  0  0  0  0999 V2000
    2.1184   -2.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7107   -2.7985    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.0952   -3.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8865   -3.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2924   -2.8130    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.9019   -2.1280    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3075   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0984   -1.4530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9131   -0.7503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0840   -2.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4832   -2.1377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4777   -3.5111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2730   -3.5210    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6621   -4.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6731   -2.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0638   -3.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5166   -3.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5231   -2.0947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2746   -2.0844    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6645   -1.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6764   -2.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0678   -2.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
 10 11  2  0  0  0  0
  5  6  1  0  0  0  0
 10 12  1  0  0  0  0
  6  1  1  0  0  0  0
 12 13  1  0  0  0  0
  6  7  1  6  0  0  0
 13 14  1  0  0  0  0
  5 10  1  0  0  0  0
 13 15  1  0  0  0  0
  2 17  1  0  0  0  0
 13 16  1  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
  7  8  1  0  0  0  0
 19 20  1  0  0  0  0
  7  9  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
  4  5  1  0  0  0  0
 20 23  1  0  0  0  0
G   10  5
boc
G    7  6
COOH
G   17  2
boc
M  STY  3   1 SUP   2 SUP   3 SUP
M  SLB  3   1   1   2   2   3   3
M  SAL   1  7  10  11  12  13  14  15  16
M  SBL   1  1   9
M  SMT   1 boc
M  SBV   1   9   -0.7900    0.0000
M  SAL   2  3   7   8   9
M  SBL   2  1   7
M  SMT   2 COOH
M  SBV   2   7   -0.4000   -0.6800
M  SAL   3  7  17  18  19  20  21  22  23
M  SBL   3  1  11
M  SMT   3 boc
M  SBV   3  11    0.7900    0.0000
M  END
$$$$
0317
  -ISIS-  06170512082D

 20 20  0  0  0  0  0  0  0  0999 V2000
    6.9114   -3.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6860   -2.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9925   -2.9429    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7681   -3.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3436   -4.0256    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.4928   -2.4432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9720   -5.0948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5837   -4.7417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9368   -5.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2306   -4.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1953   -4.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3604   -4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7488   -5.0948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4323   -3.0533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7260   -3.0533    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7260   -2.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7260   -3.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0198   -3.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7854   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4323   -1.8300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  5 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  2  0  0  0  0
  7 12  1  0  0  0  0
  3  6  1  6  0  0  0
  6 19  1  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  2  0  0  0  0
 14 19  1  0  0  0  0
G   12  5
Boc
G   19  6
Boc
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  7   7   8   9  10  11  12  13
M  SBL   1  1   2
M  SMT   1 Boc
M  SBV   1   2   -0.0100    0.7200
M  SAL   2  7  14  15  16  17  18  19  20
M  SBL   2  1  10
M  SMT   2 Boc
M  SBV   2  10    0.7100    0.0000
M  END
$$$$
0318
  -ISIS-  06170512012D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.9132   -3.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9120   -3.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5685   -4.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2308   -3.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2279   -3.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -2.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8812   -2.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5354   -3.0938    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5313   -3.8521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1896   -2.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8438   -3.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500   -4.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4061   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2 12  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1  2  2  0  0  0  0
 12 13  1  0  0  0  0
A    9
NH2.HCl
G   12  2
OCH3
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  12  13
M  SBL   1  1   6
M  SMT   1 OCH3
M  SBV   1   6    0.6500    0.3700
M  END
$$$$
0319
  -ISIS-  06170512492D

  8  8  0  0  0  0  0  0  0  0999 V2000
   11.5989    0.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3568    1.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6092    1.4467    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3681    0.7316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9853    0.2806    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   10.9792   -0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0732    1.9916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4513    2.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  2  3  1  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  1  0  0  0
  1  2  1  0  0  0  0
  7  8  1  0  0  0  0
A    6
CH2Ph
G    7  3
NHCH3
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2   7   8
M  SBL   1  1   6
M  SMT   1 NHCH3
M  SBV   1   6    0.5300   -0.5500
M  END
$$$$
0320
  -ISIS-  06170513032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.5685   -3.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3285   -3.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6811   -2.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2707   -2.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5078   -2.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1630   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -2.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8106   -1.9919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8069   -3.3145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5585   -3.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  2  2  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  2  3  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
G    8  3
COOCH3
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4   8   9  10  11
M  SBL   1  1   5
M  SMT   1 COOCH3
M  SBV   1   5   -0.7600    0.0000
M  END
$$$$
0321
  -ISIS-  06170511392D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -0.1981    2.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5078    1.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3104    0.6588    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.1138    1.2421    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8079    2.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0622    0.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8972    1.4663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3108   -0.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7444   -0.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3025   -0.5053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4792   -1.1126    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0886   -1.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0424   -1.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6437   -1.7191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  8  9  2  0  0  0  0
  4  5  1  0  0  0  0
  8 10  1  0  0  0  0
  1  5  1  0  0  0  0
 10 11  1  0  0  0  0
  1  2  1  0  0  0  0
 11 12  1  0  0  0  0
  4  6  1  6  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
G    8  3
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7   8   9  10  11  12  13  14
M  SBL   1  1   2
M  SMT   1 boc
M  SBV   1   2    0.0000    1.0100
M  END
$$$$
0322
  -ISIS-  06170512462D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.2827   -0.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0241    0.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.1054    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9424   -0.6713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6152   -1.1613    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.7129    0.7816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6200   -1.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3243   -2.3056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948   -2.4471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0703   -3.2177    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4450   -3.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7691   -3.5324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1567   -3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  7  1  0  0  0  0
  3  4  1  0  0  0  0
  7  8  2  0  0  0  0
  4  5  1  0  0  0  0
  7  9  1  0  0  0  0
  5  1  1  0  0  0  0
  9 10  1  0  0  0  0
  2  3  1  0  0  0  0
 10 11  1  0  0  0  0
  1  2  1  0  0  0  0
 10 12  1  0  0  0  0
  3  6  1  1  0  0  0
 10 13  1  0  0  0  0
G    7  5
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7   7   8   9  10  11  12  13
M  SBL   1  1   1
M  SMT   1 boc
M  SBV   1   1    0.0000    0.8400
M  END
$$$$
0323
  -ISIS-  06170512462D

 10  9  0  0  0  0  0  0  0  0999 V2000
    1.7708   -2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7708   -3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4287   -3.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0865   -3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0865   -2.8333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4287   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6958   -4.1875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4025   -2.8226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7391   -1.6899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
A    7
H^Cl
G    8  5
CONH2
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3   8   9  10
M  SBL   1  1   5
M  SMT   1 CONH2
M  SBV   1   5   -0.6600   -0.3800
M  END
$$$$
0324
  -ISIS-  06170512462D

  8  8  0  0  0  0  0  0  0  0999 V2000
   11.7864    0.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5443    1.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7967    1.3800    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5556    0.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1769    0.2140    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   11.1708   -0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2607    1.9207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6430    2.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  1  0  0  0
  5  6  1  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  7  8  1  0  0  0  0
A    6
CH2Ph
G    7  3
NHCH3
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2   7   8
M  SBL   1  1   4
M  SMT   1 NHCH3
M  SBV   1   4    0.5400   -0.5400
M  END
$$$$
0325
  -ISIS-  06170513032D

 15 15  0  0  0  0  0  0  0  0999 V2000
    1.0499   -0.8420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2893   -0.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0902   -1.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2941   -2.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0537   -2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253   -1.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750   -0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3333   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958   -0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8542   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -0.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1292   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  2  3  1  0  0  0  0
 10 11  2  0  0  0  0
  5  6  2  0  0  0  0
 10 12  1  0  0  0  0
  6  1  1  0  0  0  0
 12 13  1  0  0  0  0
  1  2  2  0  0  0  0
 13 14  1  0  0  0  0
  1  7  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
$$$$
0326
  -ISIS-  06170510442D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.4339   -1.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1769   -2.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4686   -2.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0153   -2.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2702   -2.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9762   -1.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -2.2292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125   -2.1833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9625   -2.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1500   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6232   -1.9869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1469   -1.1714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4958   -2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7829   -3.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3572   -3.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6447   -3.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3568   -4.1727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7797   -4.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4949   -3.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7829   -2.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9 13  1  0  0  0  0
  4  5  1  0  0  0  0
  2  3  1  0  0  0  0
  5  6  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  6  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  5  8  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  1  0  0  0  0
 14 19  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  2  0  0  0  0
G   10  8
CONH2
G   13  9
bz
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  3  10  11  12
M  SBL   1  1  12
M  SMT   1 CONH2
M  SBV   1  12   -0.3400   -0.4700
M  SAL   2  8  13  14  15  16  17  18  19  20
M  SBL   2  1   1
M  SMT   2 bz
M  SBV   2   1   -0.5300    0.0000
M  END
$$$$
0327
  -ISIS-  06170510452D

 13 13  0  0  0  0  0  0  0  0999 V2000
    4.3964   -1.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1394   -2.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4311   -2.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9778   -2.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2327   -2.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9387   -1.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -2.1042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -2.0583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0167   -2.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417   -2.5917    0.0000 Ac  0  0  0  0  0  0  0  0  0  0  0  0
    6.1500   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6232   -1.7994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1469   -0.9839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  5  8  1  0  0  0  0
  8 11  1  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  2  3  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
G   11  8
CONH2
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  11  12  13
M  SBL   1  1   5
M  SMT   1 CONH2
M  SBV   1   5   -0.3800   -0.5300
M  END
$$$$
0328
  -ISIS-  06170510192D

 16 16  0  0  0  0  0  0  0  0999 V2000
    6.9114   -3.6049    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6860   -2.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9925   -2.9429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7681   -3.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3436   -4.0256    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.9720   -5.0948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5837   -4.7417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9368   -5.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2306   -4.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1953   -4.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3604   -4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7488   -5.0948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1259   -3.5923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5095   -4.6474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1071   -5.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  2  3  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 11 12  2  0  0  0  0
  6 11  1  0  0  0  0
  1 13  1  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
G   11  5
Boc
G   13  1
COOCH3
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  7   6   7   8   9  10  11  12
M  SBL   1  1   4
M  SMT   1 Boc
M  SBV   1   4   -0.0100    0.7200
M  SAL   2  4  13  14  15  16
M  SBL   2  1  11
M  SMT   2 COOCH3
M  SBV   2  11   -0.6100    0.3500
M  END
$$$$
0329
  -ISIS-  06170510202D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.9967   -1.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4822   -1.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0002   -1.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0315   -0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5506   -0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0295   -0.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4584   -2.1667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -0.3921    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4841   -1.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9989   -1.3905    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0348   -0.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4814   -1.7065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5496   -0.5601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -0.3880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7451   -2.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4373   -2.6997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3219   -2.2463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5883   -2.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625   -2.7828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0336   -3.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4422   -3.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2996   -4.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7455   -4.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3351   -3.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4805   -3.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5207   -2.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4257   -1.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8719   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -1.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5025   -2.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0608   -2.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
 15 16  2  0  0  0  0
  4  8  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  1  9  1  0  0  0  0
 19 26  1  0  0  0  0
 31 20  1  0  0  0  0
 25 19  1  0  0  0  0
 18 19  1  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  2  3  1  0  0  0  0
 10 11  1  0  0  0  0
  5  6  2  0  0  0  0
 10 12  1  1  0  0  0
 20 25  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
  6  1  1  0  0  0  0
 11 13  2  0  0  0  0
  1  2  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
  2  7  1  0  0  0  0
 26 31  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
G   15 12
fmoc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1 15  15  16  17  18  19  20  21  22  23  24  25  26  27  28  29
M  SAL   1  2  30  31
M  SBL   1  1  27
M  SMT   1 fmoc
M  SBV   1  27   -0.2700    0.5100
M  END
$$$$
0330
  -ISIS-  06170510202D

 14 13  0  0  0  0  0  0  0  0999 V2000
    5.8583   -2.2167    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.3083   -1.8625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8583   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -0.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375   -2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5458   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8183   -2.6812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8148   -1.7415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3589   -1.7349    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6254   -1.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6326   -2.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9001   -1.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  8  9  2  0  0  0  0
  4  5  1  0  0  0  0
  8 10  1  0  0  0  0
  1  3  1  0  0  0  0
 10 11  1  0  0  0  0
  4  6  2  0  0  0  0
 11 12  1  0  0  0  0
  2  1  1  1  0  0  0
 11 13  1  0  0  0  0
  2  7  1  0  0  0  0
 11 14  1  0  0  0  0
G    8  1
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7   8   9  10  11  12  13  14
M  SBL   1  1   1
M  SMT   1 boc
M  SBV   1   1   -0.6900    0.0000
M  END
$$$$
0332
  -ISIS-  06170513132D

 13 13  0  0  0  0  0  0  0  0999 V2000
    5.0123   -1.8850    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3106   -1.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2930   -2.3888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8855   -1.4051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1723   -0.8371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1526   -1.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5753   -1.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2941   -0.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5892   -0.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1696   -0.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4470   -0.8752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374   -1.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7218   -0.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  2  5  2  0  0  0  0
  9 10  1  0  0  0  0
  1  3  1  1  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
  1  2  1  0  0  0  0
  6 12  1  0  0  0  0
 12  1  1  0  0  0  0
  6  7  2  0  0  0  0
  8 13  1  0  0  0  0
A   13
F3^C
M  END
$$$$
0335
  -ISIS-  06170512562D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -1.2250    0.7792    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6182    1.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    1.9333    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8318    1.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0457    2.5468    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2292    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1833   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875    2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9139    3.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9032    1.8894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1414    1.8893    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2394    1.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2339    2.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6160    1.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  7  8  1  0  0  0  0
  1  2  1  0  0  0  0
  8  9  2  0  0  0  0
  3  4  1  0  0  0  0
  5  1  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  4  6  1  1  0  0  0
 12 13  1  0  0  0  0
  6 10  1  0  0  0  0
 13 14  1  0  0  0  0
  4  5  1  0  0  0  0
 13 15  1  0  0  0  0
  1  7  1  0  0  0  0
 13 16  1  0  0  0  0
G   10  6
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7  10  11  12  13  14  15  16
M  SBL   1  1  11
M  SMT   1 boc
M  SBV   1  11   -0.7600    0.0000
M  END
$$$$
0336
  -ISIS-  06170512562D

 19 19  0  0  0  0  0  0  0  0999 V2000
    1.5208    0.9334    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.1276    1.3742    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8958    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1458    2.0875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9140    1.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7001    2.7010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2518    3.3125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.1939    3.9260    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    2.8488    1.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4133    1.6648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9968    0.4058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7110    0.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5208    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1778   -0.2035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8621   -0.2087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8588   -0.9705    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2016   -1.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5112   -1.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8666   -1.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  1  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2  9  1  1  0  0  0
  1 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  4  5  1  0  0  0  0
 15 16  1  0  0  0  0
  2  3  1  0  0  0  0
 16 17  1  0  0  0  0
  6  7  2  0  0  0  0
 16 18  1  0  0  0  0
  7  8  2  0  0  0  0
 16 19  1  0  0  0  0
G    9  2
COOCH3
G    6  4
N3
G   13  1
boc
M  CHG  2   7   1   8  -1
M  STY  3   1 SUP   2 SUP   3 SUP
M  SLB  3   1   1   2   2   3   3
M  SAL   1  4   9  10  11  12
M  SBL   1  1   8
M  SMT   1 COOCH3
M  SBV   1   8   -0.7200    0.2300
M  SAL   2  3   6   7   8
M  SBL   2  1   4
M  SMT   2 N3
M  SBV   2   4    0.4400   -0.6200
M  SAL   3  7  13  14  15  16  17  18  19
M  SBL   3  1   9
M  SMT   3 boc
M  SBV   3   9    0.0000    0.7600
M  END
$$$$
0337
  -ISIS-  06170512572D

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.5208    0.9334    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.1276    1.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8958    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1458    2.0875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9140    1.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7001    2.7010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4583    2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8320    3.3590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8427    2.0436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6044    2.0434    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9852    1.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9797    2.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3618    2.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5208    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8680   -0.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1814   -0.2058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  7  8  2  0  0  0  0
  1  2  1  0  0  0  0
  7  9  1  0  0  0  0
  3  4  1  0  0  0  0
  9 10  1  0  0  0  0
  5  1  1  0  0  0  0
 10 11  1  0  0  0  0
  1 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  4  6  1  1  0  0  0
  6  7  1  0  0  0  0
  4  5  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
G    7  6
boc
G   14  1
COCH3
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  7   7   8   9  10  11  12  13
M  SBL   1  1  13
M  SMT   1 boc
M  SBV   1  13   -0.7500    0.0000
M  SAL   2  3  14  15  16
M  SBL   2  1   9
M  SMT   2 COCH3
M  SBV   2   9    0.0000    0.7600
M  END
$$$$
0338
  -ISIS-  06170512572D

  7  7  0  0  0  0  0  0  0  0999 V2000
    0.6167   -0.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2235    0.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    0.9333    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0099    0.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9447   -0.0143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2041    1.5468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  1  1  0  0  0  0
  2  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  6  0  0  0
M  END
$$$$
0339
  -ISIS-  06170513042D

 12 12  0  0  0  0  0  0  0  0999 V2000
    5.7667   -4.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -3.6958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7667   -3.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -3.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -4.3492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9083   -2.3808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375   -3.6958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2542   -4.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -4.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1208   -3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -3.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2542   -3.0341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
  2  7  1  0  0  0  0
M  END
$$$$
0340
  -ISIS-  06170513042D

 11 10  0  0  0  0  0  0  0  0999 V2000
    2.4840    0.1460    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7215    0.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3405   -0.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8613   -0.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0348    0.6868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5781   -0.4865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6238   -0.5144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8345   -1.2196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4473   -1.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3970   -1.0918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7639   -1.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  1  0  0  0
  1  2  1  0  0  0  0
  3  6  2  0  0  0  0
  1  4  1  0  0  0  0
  4  7  2  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8  4  1  0  0  0  0
 10 11  1  0  0  0  0
G    8  4
OMe
G   10  3
OMe
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  2   8   9
M  SBL   1  1   9
M  SMT   1 OMe
M  SBV   1   9    0.0200    0.7000
M  SAL   2  2  10  11
M  SBL   2  1   7
M  SMT   2 OMe
M  SBV   2   7   -0.0600    0.5900
M  END
$$$$
0341
  -ISIS-  06170512442D

  6  6  0  0  0  0  0  0  0  0999 V2000
    2.4056   -0.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1109    0.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0663   -0.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7611   -1.2684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7698    0.6306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2888   -0.0205    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  6  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  2  6  1  0  0  0  0
  1  2  1  0  0  0  0
  6  5  1  6  0  0  0
M  END
$$$$
0343
  -ISIS-  06170511072D

 20 19  0  0  0  0  0  0  0  0999 V2000
    0.7755   -0.4062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3557   -0.2844    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7677   -0.6231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3224   -0.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7279   -0.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -0.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6984   -0.7810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2616   -0.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6624   -0.8616    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4049    0.0783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3618    0.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8953    0.6791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7735    0.5645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3722   -0.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5943   -1.5154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2695   -0.7978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6881   -1.2947    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3263   -1.1845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4658   -1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0976   -1.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8 10  2  0  0  0  0
  1 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  2  3  1  6  0  0  0
  6  7  1  0  0  0  0
 14 15  2  0  0  0  0
  1  2  1  0  0  0  0
 14 16  1  0  0  0  0
  7  8  1  0  0  0  0
 16 17  1  0  0  0  0
  3  4  1  0  0  0  0
 17 18  1  0  0  0  0
  8  9  1  0  0  0  0
 17 19  1  0  0  0  0
  2 11  1  0  0  0  0
 17 20  1  0  0  0  0
G   11  2
COOH
G   14  1
boc
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  3  11  12  13
M  SBL   1  1  18
M  SMT   1 COOH
M  SBV   1  18    0.0000   -0.5800
M  SAL   2  7  14  15  16  17  18  19  20
M  SBL   2  1   2
M  SMT   2 boc
M  SBV   2   2    0.4000    0.5000
M  END
$$$$
0345
  -ISIS-  06170511082D

 12 10  0  0  0  0  0  0  0  0999 V2000
    5.8807   -0.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5639   -1.1780    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1064   -2.4187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6902   -1.9028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1250   -0.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7775   -1.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5250   -0.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4833   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667   -2.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0473   -2.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  6  0  0  0
  1  2  1  0  0  0  0
  6  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  2  4  1  0  0  0  0
  7  9  2  0  0  0  0
  3  4  2  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
A    8
CH3^O
A   10
H^Cl
G   11  4
OMe
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  11  12
M  SBL   1  1   9
M  SMT   1 OMe
M  SBV   1   9   -0.6800    0.2500
M  END
$$$$
0347
  -ISIS-  06170512472D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -0.4136    1.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6557    2.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4075    2.0092    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6486    1.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0231    0.8348    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9489    2.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0292    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3776   -0.3116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -0.3062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7094   -1.0737    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3751   -1.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0547   -1.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7077   -1.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  7  1  0  0  0  0
  1  2  1  0  0  0  0
  7  8  2  0  0  0  0
  3  4  1  0  0  0  0
  7  9  1  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  5  1  1  0  0  0  0
 10 11  1  0  0  0  0
  2  3  1  0  0  0  0
 10 12  1  0  0  0  0
  3  6  1  6  0  0  0
 10 13  1  0  0  0  0
A    6
Ms^O
G    7  5
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7   7   8   9  10  11  12  13
M  SBL   1  1   1
M  SMT   1 boc
M  SBV   1   1    0.0000    0.7600
M  END
$$$$
0348
  -ISIS-  06170512482D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -0.4136    1.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6557    2.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4075    2.0092    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6486    1.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0231    0.8348    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0292    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3776   -0.3116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -0.3062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7094   -1.0737    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3751   -1.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0547   -1.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7077   -1.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9489    2.5506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4920    3.0886    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.0334    3.6300    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
  6  7  2  0  0  0  0
  3  4  1  0  0  0  0
  6  8  1  0  0  0  0
  4  5  1  0  0  0  0
  8  9  1  0  0  0  0
  5  1  1  0  0  0  0
  9 10  1  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  0  0  0  0
  3 13  1  1  0  0  0
  9 12  1  0  0  0  0
  5  6  1  0  0  0  0
  1  2  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  2  0  0  0  0
G    6  5
boc
G   13  3
N3
M  CHG  2  14   1  15  -1
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  7   6   7   8   9  10  11  12
M  SBL   1  1  12
M  SMT   1 boc
M  SBV   1  12    0.0000    0.7600
M  SAL   2  3  13  14  15
M  SBL   2  1  10
M  SMT   2 N3
M  SBV   2  10    0.5400   -0.5400
M  END
$$$$
0349
  -ISIS-  06170512482D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.5208    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5208   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1787   -1.0750    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.8407   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8407    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1787    0.4542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1667    1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8206   -2.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4939   -2.2117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4835   -2.9810    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1855   -3.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1325   -3.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4773   -3.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  1  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  8  9  2  0  0  0  0
  2  3  1  0  0  0  0
  8 10  1  0  0  0  0
  3  4  1  0  0  0  0
 10 11  1  0  0  0  0
  4  5  1  0  0  0  0
 11 12  1  0  0  0  0
  5  6  1  0  0  0  0
 11 13  1  0  0  0  0
  3  8  1  0  0  0  0
 11 14  1  0  0  0  0
G    8  3
boc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7   8   9  10  11  12  13  14
M  SBL   1  1  13
M  SMT   1 boc
M  SBV   1  13    0.0100    0.7600
M  END
$$$$
0350
  -ISIS-  06170510322D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -3.5306    0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5318   -0.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9378   -0.9402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3422   -0.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3450    0.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9396    0.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1257   -0.9393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7542    0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583    0.0958    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5667    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625   -0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    1.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -0.5917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    0.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  3  4  2  0  0  0  0
  8  9  1  0  0  0  0
  1  2  2  0  0  0  0
  9 10  1  0  0  0  0
  4  5  1  0  0  0  0
  9 11  1  1  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  3  1  0  0  0  0
 14 15  1  0  0  0  0
A    7
CH3^O
A   13
H^Cl
G   14 10
OMe
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  14  15
M  SBL   1  1  10
M  SMT   1 OMe
M  SBV   1  10   -0.5900    0.3500
M  END
$$$$
0351
  -ISIS-  06170511122D

  1  0  0  0  0  0  0  0  0  0999 V2000
    2.6458   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
A    1
CH3OOCCH2NH2.HCl
M  END
$$$$
0352
  -ISIS-  06170511302D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.1452   -1.1313    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1477   -0.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0764   -0.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0788   -1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5403   -1.4875    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.7562   -1.4845    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9333   -2.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1336   -2.5539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0932   -2.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1027   -3.2526    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7212   -3.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5009   -3.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1038   -3.9603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9333   -0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6199   -0.6084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2912    0.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6087    0.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7978    0.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4245   -0.3015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8158   -2.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8702   -1.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5169   -0.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5154   -2.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8130   -0.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 11 12  1  0  0  0  0
  1  2  1  0  0  0  0
 11 13  1  0  0  0  0
  1  6  1  1  0  0  0
 11 14  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  2  0  0  0  0
  6 21  1  0  0  0  0
 17 18  1  0  0  0  0
  6  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
 15 20  1  0  0  0  0
 16 19  1  0  0  0  0
 19 17  2  0  0  0  0
 18 20  2  0  0  0  0
  8  9  2  0  0  0  0
 21 22  2  0  0  0  0
  5  1  1  0  0  0  0
 23 24  1  0  0  0  0
  8 10  1  0  0  0  0
  2  3  1  0  0  0  0
 10 11  1  0  0  0  0
  5  8  1  0  0  0  0
 21 26  1  0  0  0  0
 22 25  1  0  0  0  0
 25 23  2  0  0  0  0
 24 26  2  0  0  0  0
G    8  5
boc
G   15  6
Ph
G   21  6
Ph
M  STY  3   1 SUP   2 SUP   3 SUP
M  SLB  3   1   1   2   2   3   3
M  SAL   1  7   8   9  10  11  12  13  14
M  SBL   1  1  24
M  SMT   1 boc
M  SBV   1  24    0.0100    0.7100
M  SAL   2  6  15  16  17  18  19  20
M  SBL   2  1   6
M  SMT   2 Ph
M  SBV   2   6   -0.1800   -0.6900
M  SAL   3  6  21  22  23  24  25  26
M  SBL   3  1   8
M  SMT   3 Ph
M  SBV   3   8   -0.7100    0.0000
M  END
$$$$
0353
  -ISIS-  06170511422D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.4533    1.7532    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2460    1.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8316    0.6781    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.3800    1.0989    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1592    1.7602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0259    2.3076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    0.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6494    1.1538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8429   -0.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  6  0  0  0
  4  7  1  6  0  0  0
  2  3  1  0  0  0  0
  7  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
A    9
Cbz
M  END
$$$$
0354
  -ISIS-  06170511412D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.2756    1.8626    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0588    1.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6728    0.7327    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.2594    1.1733    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0190    1.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1676    2.4511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9624    0.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6459    1.1845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6870   -0.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  1  0  0  0
  4  7  1  6  0  0  0
  2  3  1  0  0  0  0
  7  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
A    9
Cbz
M  END
$$$$
0355
  -ISIS-  06170513042D

 18 18  0  0  0  0  0  0  0  0999 V2000
    1.7056   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7068   -0.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0503   -0.3973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3922   -0.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3950   -1.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0521   -1.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3583   -1.9208    0.0000 Si  0  0  3  0  0  0  0  0  0  0  0  0
    3.0125   -1.5333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1625   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -2.4542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0083   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7708   -1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500   -2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0833   -3.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7417   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2667   -0.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9297   -0.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  9  1  0  0  0  0
  4  5  1  0  0  0  0
  7 10  1  0  0  0  0
  2  3  1  0  0  0  0
  8 11  1  0  0  0  0
  5  6  2  0  0  0  0
  8 12  1  0  0  0  0
  6  1  1  0  0  0  0
 10 13  1  0  0  0  0
  4 17  1  0  0  0  0
 10 14  1  0  0  0  0
  1  2  2  0  0  0  0
  9 15  1  0  0  0  0
  1  7  1  0  0  0  0
 15 16  2  0  0  0  0
  3  4  2  0  0  0  0
  7  8  1  0  0  0  0
 17 18  1  0  0  0  0
G   17  4
OMe
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  17  18
M  SBL   1  1  10
M  SMT   1 OMe
M  SBV   1  10    0.6600   -0.3800
M  END
$$$$
0356
  -ISIS-  06170512062D

  7  6  0  0  0  0  0  0  0  0999 V2000
    3.9250   -0.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5318   -0.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500    0.2458    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3182   -0.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1043    0.8593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  6  1  6  0  0  0
  4  5  1  0  0  0  0
A    7
H^Cl
M  END
$$$$
0357
  -ISIS-  06170512062D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.2557   -2.9995    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9946   -3.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6677   -4.2708    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.3273   -3.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0818   -3.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6757   -5.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7779   -2.3269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4020   -5.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6879   -6.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0269   -5.7949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7409   -5.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4974   -6.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9255   -4.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  1  0  0  0
  6  8  1  0  0  0  0
  2  3  1  0  0  0  0
  8  9  2  0  0  0  0
  3  4  1  0  0  0  0
 10 11  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  3  6  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
 12 10  2  0  0  0  0
 11 13  2  0  0  0  0
G    8  6
Ph
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  6   8   9  10  11  12  13
M  SBL   1  1   2
M  SMT   1 Ph
M  SBV   1   2   -0.7300    0.4100
M  END
$$$$
0360
  -ISIS-  06170510192D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.9708    0.4292    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5307    0.7492    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7000    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2417    1.2625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4068    0.7492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250    1.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0152    0.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9021    0.0547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6143    0.9476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750   -0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5147   -0.3806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4439   -0.3760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4511   -0.9133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9185   -1.1784    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.5083   -1.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6779   -2.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3232   -2.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7975   -2.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6253   -2.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9815   -1.7121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4073   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5683   -0.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0943   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4578   -0.7203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2954   -1.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7734   -1.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  6  1  6  0  0  0
 12 13  1  0  0  0  0
  2  7  1  1  0  0  0
 14 21  1  0  0  0  0
 26 15  1  0  0  0  0
 20 14  1  0  0  0  0
 13 14  1  0  0  0  0
  1 10  1  0  0  0  0
  4  5  1  0  0  0  0
  2  3  1  0  0  0  0
  1  2  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
 15 20  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
  3  4  1  0  0  0  0
  5  1  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 21 26  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
G    7  2
COOH
G   10  1
fmoc
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  3   7   8   9
M  SBL   1  1   3
M  SMT   1 COOH
M  SBV   1   3   -0.5200    0.1600
M  SAL   2 15  10  11  12  13  14  15  16  17  18  19  20  21  22  23  24
M  SAL   2  2  25  26
M  SBL   2  1   8
M  SMT   2 fmoc
M  SBV   2   8    0.0000    0.5400
M  END
$$$$
0361
  -ISIS-  06170512052D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.4136    1.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6557    2.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4075    2.0092    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6486    1.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0231    0.8348    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9489    2.5506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0292    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -0.3162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6957   -0.3094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7060   -1.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3705   -1.4496    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.2089   -2.3561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500   -3.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9461   -3.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1988   -3.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9541   -2.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4601   -2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0651   -1.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2937   -0.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0413   -0.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5581   -0.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3273   -1.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5855   -1.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 23 12  1  0  0  0  0
 17 11  1  0  0  0  0
 10 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  6  0  0  0
  5  7  1  0  0  0  0
  1  2  1  0  0  0  0
  7  8  2  0  0  0  0
 12 17  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
  3  4  1  0  0  0  0
  7  9  1  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  5  1  1  0  0  0  0
 11 18  1  0  0  0  0
 18 23  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
G    7  5
fmoc
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1 15   7   8   9  10  11  12  13  14  15  16  17  18  19  20  21
M  SAL   1  2  22  23
M  SBL   1  1   6
M  SMT   1 fmoc
M  SBV   1   6    0.0000    0.7600
M  END
$$$$
0364
  -ISIS-  06170511112D

 13 12  0  0  0  0  0  0  0  0999 V2000
    7.0011   -1.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2240   -1.4979    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4510   -1.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6739   -1.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7741   -1.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5484   -1.9463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7712   -0.6005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2240   -0.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9087   -0.2508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5854   -1.9276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968   -1.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207   -1.4995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8978   -2.8453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  4 11  1  0  0  0  0
  1  2  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
G    8  2
COOH
G    5  1
COOH
G   11  4
COOH
M  STY  3   1 SUP   2 SUP   3 SUP
M  SLB  3   1   1   2   2   3   3
M  SAL   1  3   8   9  10
M  SBL   1  1   6
M  SMT   1 COOH
M  SBV   1   6    0.0000   -0.8900
M  SAL   2  3   5   6   7
M  SBL   2  1   5
M  SMT   2 COOH
M  SBV   2   5   -0.7700   -0.4500
M  SAL   3  3  11  12  13
M  SBL   3  1   9
M  SMT   3 COOH
M  SBV   3   9    0.7800    0.4500
M  END
$$$$
0365
  -ISIS-  06170510022D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.2722    0.4683    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1506    0.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1506   -0.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5479   -0.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0634   -0.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0634    0.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5479    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6703   -0.8147    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.2793   -0.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2793    0.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8869    0.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6703   -1.5147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4944    0.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8615   -0.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6781    0.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2397    1.4839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4584    1.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1 17  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
  5  6  2  0  0  0  0
 16 18  1  0  0  0  0
  6  7  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
$$$$
0366
  -ISIS-  06170510032D

 21 22  0  0  0  0  0  0  0  0999 V2000
    3.2722    0.4683    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1506    0.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1506   -0.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5479   -0.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0634   -0.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0634    0.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5479    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6703   -0.8147    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.2793   -0.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2793    0.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8869    0.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6703   -1.5147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4944    0.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    1.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4833   -0.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8615   -0.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6781    0.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2397    1.4839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4584    1.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
  2  3  1  0  0  0  0
 13 15  2  0  0  0  0
  1 13  1  0  0  0  0
  1 16  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  1 19  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
  2  7  2  0  0  0  0
 18 20  1  0  0  0  0
  5  8  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
$$$$
0367
  -ISIS-  06170510032D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -0.4172   -1.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172   -1.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1688   -2.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7593   -1.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7593   -1.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1688   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3369   -2.2147    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.9252   -1.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9252   -1.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5160   -0.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3369   -2.8939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1027   -1.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5083   -0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0958   -1.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6601   -0.8109    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.2417   -0.2292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3333   -1.3833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2667    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3333   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0042   -0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5994   -0.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 15  1  0  0  0  0
 10 13  2  0  0  0  0
  1  2  1  0  0  0  0
 12 14  2  0  0  0  0
  1 22  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
 15 16  1  0  0  0  0
  4  5  2  0  0  0  0
 15 17  1  0  0  0  0
  5  6  1  0  0  0  0
 16 18  1  0  0  0  0
  1  6  2  0  0  0  0
 16 19  1  0  0  0  0
  4  7  1  0  0  0  0
 17 20  1  0  0  0  0
  7  8  1  0  0  0  0
 17 21  1  0  0  0  0
  8  9  2  0  0  0  0
  5  9  1  0  0  0  0
 22 23  1  0  0  0  0
G   22  1
OMe
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1   8
M  SMT   1 OMe
M  SBV   1   8    0.5800   -0.3400
M  END
$$$$
0368
  -ISIS-  06170510032D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.2722    0.4683    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1506    0.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1506   -0.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5479   -0.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0634   -0.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0634    0.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5479    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6703   -0.8147    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.2793   -0.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2793    0.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8869    0.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6703   -1.5147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4944    0.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    1.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4833   -0.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8615   -0.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6781    0.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2397    1.4839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4584    1.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7575    0.5852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  2  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
  2  3  1  0  0  0  0
 13 15  2  0  0  0  0
  1 13  1  0  0  0  0
  1 16  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  1 19  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
  2  7  2  0  0  0  0
 18 20  1  0  0  0  0
  5  8  1  0  0  0  0
 17 21  1  0  0  0  0
  8  9  1  0  0  0  0
  2 22  1  0  0  0  0
A   22
CH^O
M  END
$$$$
0369
  -ISIS-  06170510042D

 24 24  0  0  0  0  0  0  0  0999 V2000
   -0.4172   -1.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172   -1.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1688   -2.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7593   -1.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7593   -1.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1688   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3369   -2.2147    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.9252   -1.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9252   -1.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5160   -0.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3369   -2.8939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1027   -1.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5083   -0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0958   -1.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6601   -0.8109    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.2417   -0.2292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3333   -1.3833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2667    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3333   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5208   -2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0042   -0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5994   -0.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 15  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  2  0  0  0  0
  1 23  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
 15 16  1  0  0  0  0
  3  4  1  0  0  0  0
 15 17  1  0  0  0  0
  4  5  2  0  0  0  0
 16 18  1  0  0  0  0
  5  6  1  0  0  0  0
 16 19  1  0  0  0  0
  1  6  2  0  0  0  0
 17 20  1  0  0  0  0
  4  7  1  0  0  0  0
 17 21  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  9  1  0  0  0  0
 23 24  1  0  0  0  0
A   22
H^Cl
G   23  1
OMe
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  23  24
M  SBL   1  1   7
M  SMT   1 OMe
M  SBV   1   7    0.5800   -0.3400
M  END
$$$$
0370
  -ISIS-  06170510042D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.4172   -1.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172   -1.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1688   -2.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7593   -1.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7593   -1.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1688   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3369   -2.2147    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.9252   -1.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9252   -1.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5160   -0.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3369   -2.8939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1027   -1.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6601   -0.8109    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.2417   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3333   -1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0042   -0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5994   -0.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
  1 16  1  0  0  0  0
  1  2  1  0  0  0  0
 13 14  1  0  0  0  0
  2  3  2  0  0  0  0
 13 15  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
 16 17  1  0  0  0  0
G   16  1
OMe
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  16  17
M  SBL   1  1  11
M  SMT   1 OMe
M  SBV   1  11    0.5800   -0.3400
M  END
$$$$
0371
  -ISIS-  06170510052D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.4172   -1.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172   -1.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1688   -2.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7593   -1.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7593   -1.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1688   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3369   -2.2147    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.9252   -1.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9252   -1.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5160   -0.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3369   -2.8939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1027   -1.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1328   -1.8773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6601   -0.8109    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2777   -1.0959    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6019   -0.1305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 14  1  0  0  0  0
 12 13  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
G   14 12
NO2
M  CHG  2  14   1  15  -1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  14  15  16
M  SBL   1  1  11
M  SMT   1 NO2
M  SBV   1  11   -0.5500   -0.4000
M  END
$$$$
0372
  -ISIS-  06170510042D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.4172   -1.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172   -1.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1688   -2.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7593   -1.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7593   -1.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1688   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3369   -2.2147    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.9252   -1.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9252   -1.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5160   -0.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3369   -2.8939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1027   -1.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6601   -0.8109    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.2417   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3333   -1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5171   -0.1831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1328   -1.8773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0042   -0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5994   -0.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
  1 18  1  0  0  0  0
  1  2  1  0  0  0  0
 13 14  1  0  0  0  0
  2  3  2  0  0  0  0
 13 15  1  0  0  0  0
  3  4  1  0  0  0  0
 10 16  2  0  0  0  0
  4  5  2  0  0  0  0
 12 17  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
 18 19  1  0  0  0  0
G   18  1
OMe
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  18  19
M  SBL   1  1   9
M  SMT   1 OMe
M  SBV   1   9    0.5800   -0.3400
M  END
$$$$
0373
  -ISIS-  06170512572D

 17 16  0  0  0  0  0  0  0  0999 V2000
    2.2790   -0.6534    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0160    0.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1961    0.1259    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9387   -0.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6142   -1.1384    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.7011    0.7993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0711   -0.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1523   -1.6637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6855   -0.4577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6968   -1.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4485   -2.3019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0177   -2.4508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0970   -3.2801    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4231   -3.7629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8480   -3.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1880   -4.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  5  1  1  0  0  0  0
  2  3  1  0  0  0  0
 11 12  2  0  0  0  0
  1  2  1  0  0  0  0
 11 13  1  0  0  0  0
  3  6  1  1  0  0  0
 13 14  1  0  0  0  0
  1  8  1  1  0  0  0
 14 15  1  0  0  0  0
  5 11  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
A    7
CH3COOH
G    8  1
COOH
G   11  5
boc
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  3   8   9  10
M  SBL   1  1  12
M  SMT   1 COOH
M  SBV   1  12   -0.8000    0.2500
M  SAL   2  7  11  12  13  14  15  16  17
M  SBL   2  1  14
M  SMT   2 boc
M  SBV   2  14   -0.0800    0.8300
M  END
$$$$
0374
  -ISIS-  06170512582D

 18 18  0  0  0  0  0  0  0  0999 V2000
    2.2910   -0.7851    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0235   -0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2036   -0.0121    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9507   -0.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6291   -1.2740    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.0849   -1.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1705   -1.7908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6967   -0.5818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7165   -2.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4702   -2.4326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403   -2.5899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1245   -3.4186    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4534   -3.9054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8774   -3.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2202   -4.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7046    0.6584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2057    1.3289    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.2933    1.9994    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
  6  8  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  9 10  2  0  0  0  0
  2  3  1  0  0  0  0
  9 11  1  0  0  0  0
  3 16  1  1  0  0  0
 11 12  1  0  0  0  0
  1  6  1  1  0  0  0
 12 13  1  0  0  0  0
  5  9  1  0  0  0  0
 12 14  1  0  0  0  0
  1  2  1  0  0  0  0
 12 15  1  0  0  0  0
  3  4  1  0  0  0  0
  6  7  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  2  0  0  0  0
G    9  5
boc
G    6  1
COOH
G   16  3
N3
M  CHG  2  17   1  18  -1
M  STY  3   1 SUP   2 SUP   3 SUP
M  SLB  3   1   1   2   2   3   3
M  SAL   1  7   9  10  11  12  13  14  15
M  SBL   1  1  11
M  SMT   1 boc
M  SBV   1  11   -0.0900    0.8200
M  SAL   2  3   6   7   8
M  SBL   2  1   9
M  SMT   2 COOH
M  SBV   2   9   -0.8000    0.2500
M  SAL   3  3  16  17  18
M  SBL   3  1   7
M  SMT   3 N3
M  SBV   3   7    0.5000   -0.6700
M  END
$$$$
0375
  -ISIS-  06170513062D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.3620   -3.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9805   -2.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2217   -2.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8434   -3.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2300   -4.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9874   -4.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -3.6542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167   -3.6500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4957   -4.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4923   -2.9961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  2  2  0  0  0  0
  4  7  1  0  0  0  0
  3  4  2  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
$$$$
0376
  -ISIS-  06170513052D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.7202   -0.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7185    0.0896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5195    0.0896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -0.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3250   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9333   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417   -0.9500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  1  5  2  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  1  2  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
$$$$
0378
  -ISIS-  06170513072D

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.2465    0.7964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2562    1.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0865    1.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0768    0.8161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6567    0.4626    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.6500   -0.2125    0.0000 Si  0  0  3  0  0  0  0  0  0  0  0  0
    2.6358   -0.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3301   -0.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9817   -0.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  2  2  0  0  0  0
  6  7  1  0  0  0  0
  3  4  2  0  0  0  0
  6  8  1  0  0  0  0
  4  5  1  0  0  0  0
  6  9  1  0  0  0  0
G    6  5
tms
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4   6   7   8   9
M  SBL   1  1   3
M  SMT   1 tms
M  SBV   1   3    0.0000    0.6800
M  END
$$$$
0379
  -ISIS-  06170511082D

 10  9  0  0  0  0  0  0  0  0999 V2000
    4.6242   -1.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4592   -1.5356    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7000   -2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9333   -1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0208   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625   -3.0583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9833   -2.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5458   -2.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3083   -1.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  6  8  2  0  0  0  0
  1  6  1  0  0  0  0
  3  7  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  6  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  6 10  1  0  0  0  0
A    5
Cbz
M  END
$$$$
0380
  -ISIS-  06170513062D

  8  8  0  0  0  0  0  0  0  0999 V2000
    3.5454   -3.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1639   -3.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4051   -3.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0268   -3.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133   -4.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1708   -4.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -3.7583    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  2  3  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  2  2  0  0  0  0
  4  7  1  0  0  0  0
  3  4  2  0  0  0  0
  1  8  1  0  0  0  0
A    7
CH2OH
A    8
OCH2COOH
M  END
$$$$
0381
  -ISIS-  06170513072D

 12 13  0  0  0  0  0  0  0  0999 V2000
    5.7654   -3.2535    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.8346   -4.0147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5803   -4.1843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9664   -3.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4671   -2.9607    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1074   -2.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4357   -3.2193    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.7163   -2.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2552   -3.5907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6935   -4.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4192   -3.9891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1254   -2.0973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  8  9  2  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
  6  7  1  0  0  0  0
  2  3  2  0  0  0  0
  6 12  2  0  0  0  0
M  END
$$$$
101
  -ISIS-  06170510102D

 17 17  0  0  0  0  0  0  0  0999 V2000
    2.1184   -2.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7107   -2.7985    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.0952   -3.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8865   -3.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2924   -2.8130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9019   -2.1280    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3075   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8995   -0.7453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0924   -1.4610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5037   -0.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5166   -3.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5231   -2.0947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2746   -2.0844    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6645   -1.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6764   -2.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0678   -2.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2  3  1  0  0  0  0
  5  6  1  0  0  0  0
 11 12  2  0  0  0  0
  6  1  1  0  0  0  0
 11 13  1  0  0  0  0
  6  7  1  1  0  0  0
 13 14  1  0  0  0  0
  2 11  1  0  0  0  0
 14 15  1  0  0  0  0
  1  2  1  0  0  0  0
 14 16  1  0  0  0  0
  3  4  1  0  0  0  0
 14 17  1  0  0  0  0
G    7  6
COOCH3
G   11  2
boc
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  4   7   8   9  10
M  SBL   1  1  10
M  SMT   1 COOCH3
M  SBV   1  10   -0.4000   -0.6800
M  SAL   2  7  11  12  13  14  15  16  17
M  SBL   2  1  12
M  SMT   2 boc
M  SBV   2  12    0.7900    0.0000
M  END
$$$$
102
  -ISIS-  06170510122D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1184   -2.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7107   -2.7985    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.0952   -3.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8865   -3.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2924   -2.8130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9019   -2.1280    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9167   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3075   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8995   -0.7453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0924   -1.4610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5037   -0.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  8  1  1  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  3  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
A    7
Cbz
G    8  6
COOCH3
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4   8   9  10  11
M  SBL   1  1   3
M  SMT   1 COOCH3
M  SBV   1   3   -0.4000   -0.6800
M  END
$$$$
103
  -ISIS-  06170510122D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.1184   -2.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7107   -2.7985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0952   -3.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8865   -3.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2924   -2.8130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9019   -2.1280    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3075   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8995   -0.7453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0924   -1.4610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5037   -0.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  2  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
G    7  6
COOCH3
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4   7   8   9  10
M  SBL   1  1   4
M  SMT   1 COOCH3
M  SBV   1   4   -0.4000   -0.6800
M  END
$$$$
316
  -ISIS-  06170513092D

 23 23  0  0  0  0  0  0  0  0999 V2000
    2.1184   -2.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7107   -2.7985    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.0952   -3.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8865   -3.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2924   -2.8130    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.9019   -2.1280    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3075   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0984   -1.4530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9131   -0.7503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0840   -2.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4832   -2.1377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4777   -3.5111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2730   -3.5210    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6621   -4.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6731   -2.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0638   -3.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5166   -3.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5231   -2.0947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2746   -2.0844    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6645   -1.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6764   -2.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0678   -2.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
 10 11  2  0  0  0  0
  5  6  1  0  0  0  0
 10 12  1  0  0  0  0
  6  1  1  0  0  0  0
 12 13  1  0  0  0  0
  6  7  1  6  0  0  0
 13 14  1  0  0  0  0
  5 10  1  0  0  0  0
 13 15  1  0  0  0  0
  2 17  1  0  0  0  0
 13 16  1  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
  7  8  1  0  0  0  0
 19 20  1  0  0  0  0
  7  9  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
  4  5  1  0  0  0  0
 20 23  1  0  0  0  0
G   10  5
boc
G    7  6
COOH
G   17  2
boc
M  STY  3   1 SUP   2 SUP   3 SUP
M  SLB  3   1   1   2   2   3   3
M  SAL   1  7  10  11  12  13  14  15  16
M  SBL   1  1   9
M  SMT   1 boc
M  SBV   1   9   -0.7900    0.0000
M  SAL   2  3   7   8   9
M  SBL   2  1   7
M  SMT   2 COOH
M  SBV   2   7   -0.4000   -0.6800
M  SAL   3  7  17  18  19  20  21  22  23
M  SBL   3  1  11
M  SMT   3 boc
M  SBV   3  11    0.7900    0.0000
M  END
$$$$
