COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.259   0.567  -0.845  1.00  0.00           C  
HETATM    2  C   UNL     1       2.518   1.056  -1.549  1.00  0.00           C  
HETATM    3  C   UNL     1       0.175   0.989  -0.658  1.00  0.00           C  
HETATM    4  C   UNL     1       3.164   0.553  -2.858  1.00  0.00           C  
HETATM    5  C   UNL     1       1.955   0.450  -3.825  1.00  0.00           C  
HETATM    6  C   UNL     1       0.829  -0.011  -2.866  1.00  0.00           C  
HETATM    7  C   UNL     1       3.166   0.383  -0.367  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.442  -1.509  -2.231  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.505  -2.887  -2.355  1.00  0.00           C  
HETATM   10  C   UNL     1       4.364  -0.845   1.807  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.276  -1.728   0.150  1.00  0.00           C  
HETATM   12  C   UNL     1       3.260  -1.429   1.200  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.172   1.602   1.281  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.404   1.210  -1.184  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.043   1.005  -1.046  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.424   1.200   0.183  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.154   1.614  -0.102  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.541   1.807   1.140  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.373   2.229   2.287  1.00  0.00           C  
HETATM   20  N   UNL     1      -7.710   2.074   2.220  1.00  0.00           N  
HETATM   21  C   UNL     1      -8.341   1.445   1.062  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.636   1.846  -0.232  1.00  0.00           C  
HETATM   23  O   UNL     1      -5.858   2.708   3.278  1.00  0.00           O  
HETATM   24  N   UNL     1      -2.049   0.991   0.313  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.328  -0.933  -0.979  1.00  0.00           C  
HETATM   26  O   UNL     1       0.505   1.586   0.346  1.00  0.00           O  
HETATM   27  N   UNL     1       1.091   0.704  -1.604  1.00  0.00           N  
HETATM   28  C   UNL     1      -1.454  -3.689  -1.218  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.339  -3.105   0.032  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.516  -5.042  -1.335  1.00  0.00           O  
HETATM   31  C   UNL     1      -1.458  -5.801  -0.126  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.617  -3.456  -3.585  1.00  0.00           O  
HETATM   33  C   UNL     1      -1.665  -2.572  -4.707  1.00  0.00           C  
HETATM   34  C   UNL     1       2.662  -0.811   0.110  1.00  0.00           C  
HETATM   35  C   UNL     1       4.871   0.343   1.318  1.00  0.00           C  
HETATM   36  C   UNL     1       4.269   0.960   0.236  1.00  0.00           C  
HETATM   37  S   UNL     1       4.910   2.483  -0.375  1.00  0.00           S  
HETATM   38  C   UNL     1       3.634   3.706   0.031  1.00  0.00           C  
HETATM   39  O   UNL     1       6.080   2.707   0.399  1.00  0.00           O  
HETATM   40  O   UNL     1       4.987   2.291  -1.781  1.00  0.00           O  
HETATM   41  C   UNL     1       3.338   3.656   1.531  1.00  0.00           C  
HETATM   42  C   UNL     1       4.130   5.104  -0.344  1.00  0.00           C  
HETATM   43  N   UNL     1       2.743  -2.633   1.693  1.00  0.00           N  
HETATM   44  C   UNL     1       2.779  -2.890   3.016  1.00  0.00           C  
HETATM   45  O   UNL     1       2.382  -4.090   3.479  1.00  0.00           O  
HETATM   46  O   UNL     1       3.170  -2.039   3.790  1.00  0.00           O  
HETATM   47  C   UNL     1       2.447  -4.297   4.915  1.00  0.00           C  
HETATM   48  H   UNL     1      -1.659   1.031  -1.747  1.00  0.00           H  
HETATM   49  H   UNL     1       2.631   2.137  -1.472  1.00  0.00           H  
HETATM   50  H   UNL     1       3.894   1.273  -3.229  1.00  0.00           H  
HETATM   51  H   UNL     1       3.625  -0.423  -2.710  1.00  0.00           H  
HETATM   52  H   UNL     1       1.722   1.420  -4.264  1.00  0.00           H  
HETATM   53  H   UNL     1       2.137  -0.295  -4.600  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.147   0.269  -3.265  1.00  0.00           H  
HETATM   55  H   UNL     1       0.880  -1.088  -2.711  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.477  -0.885  -3.112  1.00  0.00           H  
HETATM   57  H   UNL     1       4.825  -1.319   2.660  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.187  -1.274   1.125  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.696   1.750   2.239  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.877   1.060  -2.144  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.457   0.692  -1.899  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.264   2.385   2.953  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.294   0.361   1.174  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.385   1.754   1.011  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.822   2.901  -0.433  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.025   1.248  -1.056  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.617   1.127   1.171  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.298  -3.724   0.916  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.519  -5.595   0.388  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.293  -5.524   0.517  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.517  -6.864  -0.361  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.755  -3.153  -5.624  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.525  -1.909  -4.611  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.751  -1.979  -4.741  1.00  0.00           H  
HETATM   75  H   UNL     1       1.803  -1.262  -0.363  1.00  0.00           H  
HETATM   76  H   UNL     1       5.729   0.797   1.789  1.00  0.00           H  
HETATM   77  H   UNL     1       2.724   3.482  -0.526  1.00  0.00           H  
HETATM   78  H   UNL     1       4.224   3.964   2.087  1.00  0.00           H  
HETATM   79  H   UNL     1       2.512   4.328   1.762  1.00  0.00           H  
HETATM   80  H   UNL     1       3.068   2.638   1.814  1.00  0.00           H  
HETATM   81  H   UNL     1       4.340   5.140  -1.413  1.00  0.00           H  
HETATM   82  H   UNL     1       3.363   5.839  -0.100  1.00  0.00           H  
HETATM   83  H   UNL     1       5.039   5.329   0.213  1.00  0.00           H  
HETATM   84  H   UNL     1       2.360  -3.283   1.083  1.00  0.00           H  
HETATM   85  H   UNL     1       2.100  -5.302   5.154  1.00  0.00           H  
HETATM   86  H   UNL     1       3.477  -4.179   5.253  1.00  0.00           H  
HETATM   87  H   UNL     1       1.814  -3.565   5.417  1.00  0.00           H  
CONECT    1    3   24   25   48                                       
CONECT    2    7    4   27   49                                       
CONECT    3   26   26   27    1                                       
CONECT    4    2    5   50   51                                       
CONECT    5    4    6   52   53                                       
CONECT    6   27    5   54   55                                       
CONECT    7   36   36   34    2                                       
CONECT    8    9    9   25   56                                       
CONECT    9   32    8    8   28                                       
CONECT   10   35   35   12   57                                       
CONECT   11   25   25   29   58                                       
CONECT   12   10   43   34   34                                       
CONECT   13   16   18   18   59                                       
CONECT   14   15   17   17   60                                       
CONECT   15   16   16   14   61                                       
CONECT   16   24   15   15   13                                       
CONECT   17   14   14   18   22                                       
CONECT   18   13   13   17   19                                       
CONECT   19   18   23   23   20                                       
CONECT   20   19   21   62                                            
CONECT   21   22   20   63   64                                       
CONECT   22   17   21   65   66                                       
CONECT   23   19   19                                                 
CONECT   24    1   16   67                                            
CONECT   25    8    1   11   11                                       
CONECT   26    3    3                                                 
CONECT   27    2    3    6                                            
CONECT   28    9   30   29   29                                       
CONECT   29   28   28   11   68                                       
CONECT   30   28   31                                                 
CONECT   31   30   69   70   71                                       
CONECT   32   33    9                                                 
CONECT   33   32   72   73   74                                       
CONECT   34   12   12    7   75                                       
CONECT   35   10   10   36   76                                       
CONECT   36   35   37    7    7                                       
CONECT   37   39   39   38   36                                       
CONECT   37   40   40                                                 
CONECT   38   42   37   41   77                                       
CONECT   39   37   37                                                 
CONECT   40   37   37                                                 
CONECT   41   38   78   79   80                                       
CONECT   42   38   81   82   83                                       
CONECT   43   12   44   84                                            
CONECT   44   43   45   46   46                                       
CONECT   45   44   47                                                 
CONECT   46   44   44                                                 
CONECT   47   45   85   86   87                                       
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    8                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   24                                                      
CONECT   68   29                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   38                                                      
CONECT   78   41                                                      
CONECT   79   41                                                      
CONECT   80   41                                                      
CONECT   81   42                                                      
CONECT   82   42                                                      
CONECT   83   42                                                      
CONECT   84   43                                                      
CONECT   85   47                                                      
CONECT   86   47                                                      
CONECT   87   47                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
