PDC_00097.sdf
  ChemDraw06262422562D

111118  0  0  1  0  0  0  0  0999 V2000
   -3.8817   -5.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2220   -4.6821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0409   -4.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4811   -5.3384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3000   -5.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7466   -4.0144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3216   -6.1194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7402   -5.9948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5591   -5.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9993   -6.6512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9382   -5.2325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8182   -6.6157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5777   -6.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7632   -6.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2752   -6.7301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0658   -5.5060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4964   -4.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6593   -5.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0450   -5.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7324   -5.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8953   -4.5376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2807   -3.9949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4367   -5.3194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3467   -5.8837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0477   -1.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -0.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2857   -0.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4062   -0.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3707   -1.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3561   -1.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3913   -2.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1184   -2.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1107   -3.7126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8320   -2.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7968   -1.6704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9243   -3.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3202   -2.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4982   -1.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8941   -1.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0721   -0.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4680    0.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6564    0.8520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5384   -2.9061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7064   -2.9680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5497    6.7301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9242    1.4528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5239    4.5715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7844    5.4529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7032    1.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8724    2.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2661    3.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6639    2.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4435    3.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8168    3.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2105    4.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9027    5.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5853    6.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3885    4.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0920    6.5821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8578    6.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2427   -1.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8182    0.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9922   -1.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0419   -0.8214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5019   -0.1959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4983    0.9180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8749    0.2685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6103    1.8085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0715    3.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9548    0.9183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1285    2.1529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830    2.6040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3647    1.6283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0543    3.4155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2386    1.1260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0156    2.9614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4386    3.7699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7931    3.3437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1250    2.3435    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8845    4.3740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2852    4.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2219    6.1863    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9307    5.3338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1769    6.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2831   -0.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7747   -0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2478   -0.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3140    1.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6658    0.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6365   -0.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1405   -0.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1813    0.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9283    1.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3847   -0.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3539    2.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8225    0.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1745    0.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0602    1.9892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5998    2.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    2.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0425    1.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4370    0.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3282    2.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5469    2.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8019    2.1699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8747    1.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2388    3.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7762    5.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1304    5.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4850    4.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5764    5.7601    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      
 60 45  2  0      
 49 46  2  0      
 50 49  1  0      
 51 50  1  0      
 52 50  1  0      
 53 51  1  0      
 54 52  1  0      
 55 53  1  0      
 55 54  1  0      
 56 47  2  0      
 56 48  1  0      
 57 56  1  0      
 58 48  1  0      
 58 55  1  0      
 59 57  1  0      
 60 48  1  0      
 60 59  1  0      
 64 61  1  0      
 75 62  1  0      
 73 70  1  0      
 84 83  1  0      
 85 64  1  1      
 87 63  1  0      
 88 66  2  0      
 88 67  1  0      
 88 68  1  0      
 89 65  1  1      
 89 67  1  0      
 89 85  1  0      
 90 86  1  0      
 90 87  2  0      
 91 87  1  0      
 92 85  1  0      
 92 86  2  0      
 93 89  1  0      
 94 91  1  0      
 95 68  1  0      
 95 72  1  1      
 95 93  1  0      
 96 94  2  0      
 97 94  1  0      
 99 74  1  1      
 99 95  1  0      
100 69  1  1      
100 71  1  0      
101 73  1  0      
101 96  1  0      
102 75  1  0      
102 97  2  0      
103 71  1  6      
103 99  1  0      
103100  1  0      
104 78  1  1      
104 98  1  0      
104100  1  0      
105 73  1  0      
105 76  2  0      
105 98  1  0      
106 79  1  0      
106101  2  0      
106102  1  0      
107 77  2  0      
107 78  1  0      
108 82  1  0      
109 80  2  0      
109 83  1  0      
110 81  1  1      
110 83  1  0      
110107  1  0      
111108  1  0      
111109  1  0      
 42 49  1  0      
 82 57  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
$$$$
