COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.894  -0.815  -0.103  1.00  0.00           C  
HETATM    2  C   UNL     1       7.612   0.349   0.086  1.00  0.00           C  
HETATM    3  C   UNL     1       5.911   1.578  -1.101  1.00  0.00           C  
HETATM    4  C   UNL     1       7.890   2.809  -0.213  1.00  0.00           C  
HETATM    5  C   UNL     1       9.816   3.954   0.648  1.00  0.00           C  
HETATM    6  C   UNL     1       9.326   5.148   0.151  1.00  0.00           C  
HETATM    7  C   UNL     1       8.118   5.179  -0.523  1.00  0.00           C  
HETATM    8  C   UNL     1       7.401   4.015  -0.712  1.00  0.00           C  
HETATM    9  C   UNL     1       2.302  -1.366  -0.814  1.00  0.00           C  
HETATM   10  O   UNL     1      -7.039   3.132   1.968  1.00  0.00           O  
HETATM   11  C   UNL     1      -6.806   3.742   0.951  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.480   5.066   0.696  1.00  0.00           C  
HETATM   13  O   UNL     1      -5.946   3.242   0.050  1.00  0.00           O  
HETATM   14  C   UNL     1      -5.334   1.963   0.362  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.946   1.888  -0.281  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.083   2.922   0.296  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.035   3.394  -0.407  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.806   2.964  -1.517  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.147   4.457   0.188  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.204   0.830  -0.191  1.00  0.00           C  
HETATM   21  O   UNL     1      -7.498   0.846   0.468  1.00  0.00           O  
HETATM   22  C   UNL     1      -8.549   0.403  -0.241  1.00  0.00           C  
HETATM   23  O   UNL     1      -8.392   0.015  -1.374  1.00  0.00           O  
HETATM   24  C   UNL     1      -9.923   0.391   0.377  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.512  -0.510   0.074  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.346  -1.643  -0.528  1.00  0.00           C  
HETATM   27  O   UNL     1      -5.753  -2.920  -0.176  1.00  0.00           O  
HETATM   28  C   UNL     1      -6.369  -4.023  -0.630  1.00  0.00           C  
HETATM   29  O   UNL     1      -7.370  -3.925  -1.300  1.00  0.00           O  
HETATM   30  C   UNL     1      -5.811  -5.385  -0.305  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.216  -0.502  -0.526  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.341   0.508  -0.013  1.00  0.00           C  
HETATM   33  N   UNL     1      -2.038   0.409  -0.675  1.00  0.00           N  
HETATM   34  C   UNL     1      -1.042  -0.293  -0.100  1.00  0.00           C  
HETATM   35  S   UNL     1      -1.298  -1.068   1.405  1.00  0.00           S  
HETATM   36  N   UNL     1       0.157  -0.384  -0.710  1.00  0.00           N  
HETATM   37  C   UNL     1       1.160  -1.197  -0.164  1.00  0.00           C  
HETATM   38  N   UNL     1       3.338  -2.099  -0.228  1.00  0.00           N  
HETATM   39  C   UNL     1       3.148  -2.712   1.089  1.00  0.00           C  
HETATM   40  C   UNL     1       4.038  -2.004   2.113  1.00  0.00           C  
HETATM   41  C   UNL     1       5.485  -2.467   1.938  1.00  0.00           C  
HETATM   42  C   UNL     1       3.957  -0.491   1.900  1.00  0.00           C  
HETATM   43  C   UNL     1       3.521  -4.170   1.023  1.00  0.00           C  
HETATM   44  O   UNL     1       3.793  -4.677  -0.040  1.00  0.00           O  
HETATM   45  O   UNL     1       3.550  -4.907   2.145  1.00  0.00           O  
HETATM   46  S   UNL     1       4.781  -2.275  -1.023  1.00  0.00           S  
HETATM   47  O   UNL     1       5.494  -3.295  -0.338  1.00  0.00           O  
HETATM   48  O   UNL     1       4.470  -2.340  -2.408  1.00  0.00           O  
HETATM   49  C   UNL     1       5.692  -0.786  -0.786  1.00  0.00           C  
HETATM   50  C   UNL     1       7.123   1.555  -0.413  1.00  0.00           C  
HETATM   51  C   UNL     1       5.202   0.408  -1.284  1.00  0.00           C  
HETATM   52  C   UNL     1       9.104   2.785   0.470  1.00  0.00           C  
HETATM   53  H   UNL     1       7.274  -1.750   0.279  1.00  0.00           H  
HETATM   54  H   UNL     1       8.550   0.325   0.619  1.00  0.00           H  
HETATM   55  H   UNL     1       5.527   2.510  -1.489  1.00  0.00           H  
HETATM   56  H   UNL     1      10.759   3.935   1.174  1.00  0.00           H  
HETATM   57  H   UNL     1       9.888   6.060   0.289  1.00  0.00           H  
HETATM   58  H   UNL     1       7.740   6.114  -0.910  1.00  0.00           H  
HETATM   59  H   UNL     1       6.462   4.038  -1.246  1.00  0.00           H  
HETATM   60  H   UNL     1       2.432  -0.938  -1.797  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.137   5.306   1.532  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.724   5.844   0.592  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.066   5.004  -0.221  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.241   1.857   1.443  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.034   2.046  -1.356  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.266   3.266   1.185  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.332   3.985   0.737  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.736   5.076  -0.610  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.729   5.080   0.867  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.340   0.965  -1.264  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.420   1.340   0.177  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.507  -0.423  -0.053  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.836   0.246   1.454  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.415  -0.663   1.149  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.362  -1.594  -0.137  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.370  -1.539  -1.613  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.249  -5.745   0.626  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.051  -6.078  -1.111  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.728  -5.318  -0.194  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.215   0.368   1.061  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.893   0.848  -1.528  1.00  0.00           H  
HETATM   82  H   UNL     1       0.325   0.112  -1.526  1.00  0.00           H  
HETATM   83  H   UNL     1       1.003  -1.685   0.786  1.00  0.00           H  
HETATM   84  H   UNL     1       2.104  -2.616   1.387  1.00  0.00           H  
HETATM   85  H   UNL     1       3.697  -2.248   3.120  1.00  0.00           H  
HETATM   86  H   UNL     1       6.048  -2.251   2.846  1.00  0.00           H  
HETATM   87  H   UNL     1       5.503  -3.540   1.747  1.00  0.00           H  
HETATM   88  H   UNL     1       5.936  -1.941   1.097  1.00  0.00           H  
HETATM   89  H   UNL     1       2.926  -0.161   2.025  1.00  0.00           H  
HETATM   90  H   UNL     1       4.590   0.013   2.630  1.00  0.00           H  
HETATM   91  H   UNL     1       4.297  -0.247   0.894  1.00  0.00           H  
HETATM   92  H   UNL     1       3.795  -5.838   2.053  1.00  0.00           H  
HETATM   93  H   UNL     1       4.262   0.425  -1.816  1.00  0.00           H  
HETATM   94  H   UNL     1       9.488   1.853   0.859  1.00  0.00           H  
CONECT    1   49   49    2   53                                       
CONECT    2    1   50   50   54                                       
CONECT    3   51   51   50   55                                       
CONECT    4   50   52   52    8                                       
CONECT    5   52    6    6   56                                       
CONECT    6    5    5    7   57                                       
CONECT    7    8    8    6   58                                       
CONECT    8    4    7    7   59                                       
CONECT    9   38   37   37   60                                       
CONECT   10   11   11                                                 
CONECT   11   13   10   10   12                                       
CONECT   12   11   61   62   63                                       
CONECT   13   14   11                                                 
CONECT   14   15   20   13   64                                       
CONECT   15   32   16   14   65                                       
CONECT   16   17   15   66                                            
CONECT   17   19   18   18   16                                       
CONECT   18   17   17                                                 
CONECT   19   17   67   68   69                                       
CONECT   20   25   14   21   70                                       
CONECT   21   20   22                                                 
CONECT   22   21   24   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   22   71   72   73                                       
CONECT   25   31   26   20   74                                       
CONECT   26   27   25   75   76                                       
CONECT   27   28   26                                                 
CONECT   28   30   27   29   29                                       
CONECT   29   28   28                                                 
CONECT   30   28   77   78   79                                       
CONECT   31   32   25                                                 
CONECT   32   33   31   15   80                                       
CONECT   33   34   32   81                                            
CONECT   34   35   35   36   33                                       
CONECT   35   34   34                                                 
CONECT   36   37   34   82                                            
CONECT   37    9    9   36   83                                       
CONECT   38   39   46    9                                            
CONECT   39   40   43   38   84                                       
CONECT   40   41   42   39   85                                       
CONECT   41   40   86   87   88                                       
CONECT   42   40   89   90   91                                       
CONECT   43   39   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   92                                                 
CONECT   46   48   48   38   47                                       
CONECT   46   47   49                                                 
CONECT   47   46   46                                                 
CONECT   48   46   46                                                 
CONECT   49   46    1    1   51                                       
CONECT   50    2    2    3    4                                       
CONECT   51   49    3    3   93                                       
CONECT   52    4    4    5   94                                       
CONECT   53    1                                                      
CONECT   54    2                                                      
CONECT   55    3                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61   12                                                      
CONECT   62   12                                                      
CONECT   63   12                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   41                                                      
CONECT   87   41                                                      
CONECT   88   41                                                      
CONECT   89   42                                                      
CONECT   90   42                                                      
CONECT   91   42                                                      
CONECT   92   45                                                      
CONECT   93   51                                                      
CONECT   94   52                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
