PDC_00020.sdf
  ChemDraw06262422422D

138149  0  0  1  0  0  0  0  0999 V2000
    3.6741    5.7912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1708    2.8878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4477    2.5432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7404   -8.1400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7618    4.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4266    5.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6073    5.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1233    4.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2881    3.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7003    4.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3780    4.1784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9544    4.1781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9106    6.2087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5807    4.7039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7379    3.9234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2294    2.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4102    2.5649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2778    4.1236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7134    3.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6741    4.9676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1459    4.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6973    4.0425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4424    3.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6369    3.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3405    4.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0858    3.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0078    4.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2622    3.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7782    3.0338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7188    0.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2348    0.2219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5646    1.7267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3836    1.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6868    2.2212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8676    2.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3890   -0.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5380    0.8025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5700   -0.5305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8730    0.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6285    2.6293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1442    1.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8412    1.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3252    2.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4791    1.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9954    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1762    0.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6922   -0.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5754   -2.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2402   -2.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9370   -2.6155    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7242   -1.3687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0914   -3.4537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4210   -1.9492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0968   -5.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7296   -3.6259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5488   -3.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8838   -4.4641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3944   -2.8735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5808   -5.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3998   -5.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2456   -4.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3358   -2.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8518   -3.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0328   -3.0453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0008   -1.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7084   -6.8071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4052   -7.3876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8892   -6.7213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -5.9689    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0382   -5.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7030   -4.5499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1870   -3.8836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4585   -2.2737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3724   -3.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5669   -3.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1550   -2.5509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7061   -1.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5348   -1.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7513   -0.8784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1469   -0.5819    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7564    7.0472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3444    7.7602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2053    6.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5753    6.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4610    7.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5471    6.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0593    7.6274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0735    8.1400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7454    2.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3187    2.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8923    2.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4653    2.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0389    2.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7061   -1.8164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4585    1.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0321    1.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6056    1.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1787    1.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7522    1.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3255    1.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1180   -2.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0994   -1.9877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4585    0.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0321    0.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6056    0.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1787    0.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7522    0.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5669   -3.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7454    0.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3187    0.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8923    0.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4653    0.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6122   -2.8066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8991   -3.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7522   -1.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3255   -3.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7522   -0.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0389   -1.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4585   -0.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3255   -1.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3255   -0.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6122   -0.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3187    2.9587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8923    2.9587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0389    2.9587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6122    2.1351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7116   -1.4366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1858   -2.8066    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0389   -2.8066    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7382   -3.9473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7454   -0.3358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3187   -0.3358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8923   -0.3358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4653   -0.3358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3255   -4.0422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0389   -0.3358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6122   -1.9830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7522    2.5471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5 18  1  0      
 12 15  1  0      
 16 32  1  0      
 30 37  1  0      
 36 51  1  0      
 48 58  1  0      
 56 64  1  0      
 62 76  1  0      
 78 80  1  0      
 14  5  2  0      
  5  6  1  0      
  6 13  1  0      
  6  7  1  6      
  7  8  1  0      
 10  8  2  0      
 11  8  1  0      
 11  9  2  0      
  9 12  1  0      
 12 10  1  0      
 22 21  2  0      
 23 22  1  0      
 24 23  2  0      
 21 25  1  0      
 25 20  1  0      
 26 24  1  0      
 26 25  2  0      
 20 27  1  0      
 26 28  1  0      
 27 28  2  0      
 17 16  2  0      
 16 19  1  0      
 19 18  1  0      
 19 29  1  1      
 29 28  1  0      
 20  1  1  0      
 35 34  1  0      
 31 30  2  0      
 30 33  1  0      
 33 32  1  1      
 33 35  1  0      
 34  2  1  0      
 41 40  1  0      
 43 42  2  0      
 41 43  1  0      
 44 41  2  0      
 45 44  1  0      
 45 46  2  0      
 42 46  1  0      
 47 46  1  0      
 38 36  2  0      
 36 39  1  0      
 39 37  1  1      
 39 47  1  0      
 40  3  1  0      
 53 50  1  0      
 52 48  2  0      
 48 49  1  0      
 49 51  1  1      
 49 53  1  0      
 59 54  1  0      
 59 60  1  0      
 59 61  1  0      
 55 61  1  0      
 55 58  1  6      
 55 56  1  0      
 56 57  2  0      
 68 67  1  0      
 68 66  1  0      
 69 68  2  0      
 70 69  1  0      
 71 70  1  0      
 72 71  1  0      
 65 62  2  0      
 62 63  1  0      
 63 64  1  6      
 63 72  1  0      
 67  4  1  0      
 73 74  1  0      
 77 73  1  0      
 74 75  1  0      
 75 76  1  0      
 76 77  1  0      
 77 78  1  6      
 78 79  2  0      
 81 82  1  0      
 81 83  1  0      
 81 84  1  6      
 82 85  1  0      
 83 86  1  0      
 84 87  2  0      
 85 88  2  0      
 85 86  1  0      
 84 13  1  0      
 89 95  1  0      
 89 96  2  0      
 90 96  1  0      
 90 97  1  0      
 90123  2  0      
 91 97  1  0      
 91 98  2  0      
 91124  1  0      
 92 98  1  0      
 92 99  1  0      
 99 93  1  0      
 93100  1  0      
 93125  2  0      
 94101  1  0      
 94102  1  0      
 95103  2  0      
 96104  1  0      
 97105  2  0      
 98106  1  0      
 99107  1  0      
100126  1  0      
101108  1  0      
102127  2  0      
102128  1  0      
103109  1  0      
104109  2  0      
104110  1  0      
105110  1  0      
105111  1  0      
106111  2  0      
106112  1  0      
107112  1  0      
108128  1  0      
108130  2  0      
109131  1  0      
110132  2  0      
111133  1  0      
112134  1  6      
113114  1  0      
113116  1  0      
114128  1  0      
115117  1  0      
115118  1  0      
116129  1  0      
116135  2  0      
117134  1  6      
117136  1  0      
118120  1  0      
118129  1  1      
119131  1  0      
120121  1  0      
120137  1  1      
121122  1  1      
121136  1  0      
 99138  1  6      
 50101  1  0      
M  STY  1   1 SUP
M  SLB  1   1   1
M  SDS EXP  1   1
M  SAL   1  1  15
M  SBL   1  1   2
M  SMT   1 H
M  SCL   1 LGRP
M  STY  1   2 SUP
M  SLB  1   2   2
M  SDS EXP  1   2
M  SAL   2  1   1
M  SBL   2  1  35
M  SMT   2 H
M  SCL   2 LGRP
M  STY  1   3 SUP
M  SLB  1   3   3
M  SDS EXP  1   3
M  SAL   3  1   2
M  SBL   3  1  41
M  SMT   3 H
M  SCL   3 LGRP
M  STY  1   4 SUP
M  SLB  1   4   4
M  SDS EXP  1   4
M  SAL   4  1   3
M  SBL   4  1  54
M  SMT   4 H
M  SCL   4 LGRP
M  STY  1   5 SUP
M  SLB  1   5   5
M  SDS EXP  1   5
M  SAL   5  1   4
M  SBL   5  1  77
M  SMT   5 H
M  SCL   5 LGRP
M  END
$$$$
