COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.023  -5.460   0.156  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.025  -5.365  -0.573  1.00  0.00           N  
HETATM    3  S   UNL     1       0.140  -4.162   1.257  1.00  0.00           S  
HETATM    4  C   UNL     1      -1.836  -4.309  -0.372  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.360  -3.474   0.645  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.067  -2.326   0.999  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.238  -2.011   0.348  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.716  -2.836  -0.661  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.038  -3.961  -1.022  1.00  0.00           C  
HETATM   10  S   UNL     1      -4.131  -0.560   0.795  1.00  0.00           S  
HETATM   11  O   UNL     1      -5.478  -0.780   0.399  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.754  -0.252   2.130  1.00  0.00           O  
HETATM   13  N   UNL     1      -3.562   0.677  -0.148  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.283   1.063  -1.363  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.207   2.242  -1.055  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.288   1.799  -0.067  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.392   3.382  -0.442  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.337   1.385   0.233  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.138   0.740  -0.464  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.404   3.918  -1.480  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.255   0.921  -1.877  1.00  0.00           O  
HETATM   22  C   UNL     1       0.153   1.398   0.029  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.227   0.803  -0.750  1.00  0.00           C  
HETATM   24  N   UNL     1       1.306   0.703  -0.548  1.00  0.00           N  
HETATM   25  C   UNL     1       2.497   0.736   0.083  1.00  0.00           C  
HETATM   26  O   UNL     1       2.614   1.343   1.129  1.00  0.00           O  
HETATM   27  O   UNL     1       3.557   0.097  -0.447  1.00  0.00           O  
HETATM   28  C   UNL     1       4.808   0.176   0.286  1.00  0.00           C  
HETATM   29  C   UNL     1       4.933  -1.007   1.262  1.00  0.00           C  
HETATM   30  O   UNL     1       6.047  -1.803   0.832  1.00  0.00           O  
HETATM   31  C   UNL     1       6.949  -0.947   0.105  1.00  0.00           C  
HETATM   32  O   UNL     1       7.608  -1.723  -0.905  1.00  0.00           O  
HETATM   33  C   UNL     1       6.835  -1.733  -2.110  1.00  0.00           C  
HETATM   34  C   UNL     1       5.578  -0.873  -1.866  1.00  0.00           C  
HETATM   35  C   UNL     1       6.005   0.020  -0.675  1.00  0.00           C  
HETATM   36  C   UNL     1       0.174   2.866  -0.403  1.00  0.00           C  
HETATM   37  C   UNL     1       2.576   3.562  -0.514  1.00  0.00           C  
HETATM   38  C   UNL     1       3.686   4.184   0.027  1.00  0.00           C  
HETATM   39  C   UNL     1       3.604   4.789   1.267  1.00  0.00           C  
HETATM   40  C   UNL     1       2.411   4.773   1.966  1.00  0.00           C  
HETATM   41  C   UNL     1       1.302   4.150   1.426  1.00  0.00           C  
HETATM   42  C   UNL     1       1.384   3.545   0.186  1.00  0.00           C  
HETATM   43  H   UNL     1       0.740  -6.264   0.085  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.696  -1.684   1.784  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.635  -2.582  -1.167  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.424  -4.590  -1.809  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.568   1.353  -2.133  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.876   0.219  -1.717  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.677   2.586  -1.976  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.819   1.324   0.795  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.857   2.668   0.263  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.063   4.183  -0.132  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.844   3.012   0.425  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.414   2.430  -0.067  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.204   1.325   1.314  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.113  -0.325  -0.235  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.952   4.289  -2.346  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.823   4.731  -1.043  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.732   3.117  -1.790  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.282   1.847  -2.154  1.00  0.00           H  
HETATM   61  H   UNL     1       0.199   1.338   1.116  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.989   0.478  -0.042  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.704   1.281  -1.605  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.655  -0.061  -1.089  1.00  0.00           H  
HETATM   65  H   UNL     1       1.213   0.218  -1.383  1.00  0.00           H  
HETATM   66  H   UNL     1       4.873   1.121   0.825  1.00  0.00           H  
HETATM   67  H   UNL     1       5.111  -0.637   2.272  1.00  0.00           H  
HETATM   68  H   UNL     1       4.021  -1.604   1.239  1.00  0.00           H  
HETATM   69  H   UNL     1       7.651  -0.428   0.758  1.00  0.00           H  
HETATM   70  H   UNL     1       7.419  -1.311  -2.928  1.00  0.00           H  
HETATM   71  H   UNL     1       6.543  -2.755  -2.352  1.00  0.00           H  
HETATM   72  H   UNL     1       5.348  -0.266  -2.742  1.00  0.00           H  
HETATM   73  H   UNL     1       4.727  -1.499  -1.594  1.00  0.00           H  
HETATM   74  H   UNL     1       6.468   0.965  -0.959  1.00  0.00           H  
HETATM   75  H   UNL     1       0.218   2.924  -1.490  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.729   3.362  -0.048  1.00  0.00           H  
HETATM   77  H   UNL     1       2.639   3.093  -1.484  1.00  0.00           H  
HETATM   78  H   UNL     1       4.617   4.197  -0.520  1.00  0.00           H  
HETATM   79  H   UNL     1       4.471   5.275   1.689  1.00  0.00           H  
HETATM   80  H   UNL     1       2.347   5.245   2.935  1.00  0.00           H  
HETATM   81  H   UNL     1       0.370   4.137   1.973  1.00  0.00           H  
CONECT    1    2    2    3   43                                       
CONECT    2    1    1    4                                            
CONECT    3    1    5                                                 
CONECT    4    2    5    5    9                                       
CONECT    5    3    4    4    6                                       
CONECT    6    5    7    7   44                                       
CONECT    7    6    6    8   10                                       
CONECT    8    7    9    9   45                                       
CONECT    9    4    8    8   46                                       
CONECT   10    7   11   11   12                                       
CONECT   10   12   13                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   10   14   18                                            
CONECT   14   13   15   47   48                                       
CONECT   15   14   16   17   49                                       
CONECT   16   15   23   50   51                                       
CONECT   17   15   20   52   53                                       
CONECT   18   13   19   54   55                                       
CONECT   19   18   21   22   56                                       
CONECT   20   17   57   58   59                                       
CONECT   21   19   60                                                 
CONECT   22   19   24   36   61                                       
CONECT   23   16   62   63   64                                       
CONECT   24   22   25   65                                            
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28                                                 
CONECT   28   27   29   35   66                                       
CONECT   29   28   30   67   68                                       
CONECT   30   29   31                                                 
CONECT   31   30   32   35   69                                       
CONECT   32   31   33                                                 
CONECT   33   32   34   70   71                                       
CONECT   34   33   35   72   73                                       
CONECT   35   28   31   34   74                                       
CONECT   36   22   42   75   76                                       
CONECT   37   38   38   42   77                                       
CONECT   38   37   37   39   78                                       
CONECT   39   38   40   40   79                                       
CONECT   40   39   39   41   80                                       
CONECT   41   40   42   42   81                                       
CONECT   42   36   37   41   41                                       
CONECT   43    1                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   31                                                      
CONECT   70   33                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   41                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
