PDC_00099.sdf
  ChemDraw06262422552D

100105  0  0  1  0  0  0  0  0999 V2000
   -2.5776   -4.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1261   -4.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9280   -4.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1814   -5.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9830   -5.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8728   -3.5807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8310   -5.7493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2364   -6.2607    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0383   -6.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2504   -7.2229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6179   -5.8513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0423   -7.4350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125   -5.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3637   -4.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2996   -5.4293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7757   -4.7991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2996   -2.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3854   -3.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1342   -3.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7974   -3.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7116   -2.6867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9628   -2.3533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2778   -4.1323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5462   -3.8355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2093   -0.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4627    0.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9141    1.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1122    1.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1411    0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4074   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1541   -1.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7026   -1.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4492   -2.5018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5045   -1.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7578   -0.7720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2827   -2.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8728   -2.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2827   -1.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8728   -0.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2827   -0.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8728    0.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2827    1.3888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0530   -2.1610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1024   -2.8707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1143    0.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0423    7.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2063    3.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5242    1.5429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6318    1.5217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5755    0.8172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8052    1.5255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5711    2.2344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5441    5.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1866    4.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3149    4.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1513    2.9502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9608    5.6524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2649    3.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2226    7.4350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    6.3116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4063    4.9386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6360    5.6486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5830    7.4180    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4135    4.9386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8162    7.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8728    4.9386    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4135    6.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8233    7.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1143    2.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4636    3.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7965    3.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9854    1.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2219    2.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8944    3.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2696    4.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5781    3.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8252    2.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8564    5.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9711    2.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0284    5.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2418    6.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8147    4.9317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5549    3.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6863    4.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5932    5.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8127    6.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9436    4.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0459    4.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1812    5.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9929    6.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8162    5.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0530    4.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8233    5.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4063    6.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6431    5.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0530    2.0988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2827    4.2286    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8728    2.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8728    3.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2827    2.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0      
 10 12  1  0      
 14 23  1  0      
 17 33  1  0      
 20 24  1  0      
 34 43  1  0      
  7  1  2  0      
  1  2  1  0      
  2  6  1  0      
  2  3  1  6      
  3  4  1  0      
  4  5  1  0      
  5  8  1  0      
  8  9  2  0      
  9 11  1  0      
  9 10  1  0      
 16 13  1  0      
 13 14  1  0      
 14 15  2  0      
 22 17  2  0      
 17 18  1  0      
 18 23  1  0      
 18 19  1  6      
 19 20  1  0      
 20 21  2  0      
 25 26  1  0      
 25 30  2  0      
 26 27  2  0      
 27 28  1  0      
 28 29  2  0      
 29 30  1  0      
 30 31  1  0      
 32 31  1  6      
 32 33  1  0      
 32 34  1  0      
 34 35  2  0      
 44 36  2  0      
 36 37  1  0      
 37 43  1  0      
 37 38  1  6      
 38 39  1  0      
 39 40  1  0      
 40 41  1  0      
 41 42  1  0      
  6 36  1  0      
 48 45  1  0      
 59 46  1  0      
 57 54  1  0      
 68 67  1  0      
 69 48  1  1      
 71 47  1  0      
 72 50  2  0      
 72 51  1  0      
 72 52  1  0      
 73 49  1  1      
 73 51  1  0      
 73 69  1  0      
 74 70  1  0      
 74 71  2  0      
 75 71  1  0      
 76 69  1  0      
 76 70  2  0      
 77 73  1  0      
 78 75  1  0      
 79 52  1  0      
 79 56  1  1      
 79 77  1  0      
 80 78  2  0      
 81 78  1  0      
 83 58  1  1      
 83 79  1  0      
 84 53  1  6      
 84 55  1  0      
 85 57  1  0      
 85 80  1  0      
 86 59  1  0      
 86 81  2  0      
 87 55  1  6      
 87 83  1  0      
 87 84  1  0      
 88 62  1  1      
 88 82  1  0      
 88 84  1  0      
 89 57  1  0      
 89 60  2  0      
 89 82  1  0      
 90 63  1  0      
 90 85  2  0      
 90 86  1  0      
 91 61  2  0      
 91 62  1  0      
 92 66  1  0      
 93 64  2  0      
 93 67  1  0      
 94 65  1  1      
 94 67  1  0      
 94 91  1  0      
 95 92  1  0      
 95 93  1  0      
 98 96  2  0      
 99 97  1  0      
100 98  1  0      
100 99  1  0      
 98 42  1  0      
 97 66  1  0      
M  STY  1   1 SUP
M  SLB  1   1   1
M  SDS EXP  1   1
M  SAL   1  1  12
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  24
M  SBL   2  1   5
M  SMT   2 OH
M  SCL   2 LGRP
M  END
$$$$
