COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.685   1.892   0.336  1.00  0.00           N  
HETATM    2  C   UNL     1       2.496   3.840   1.162  1.00  0.00           C  
HETATM    3  C   UNL     1       2.529   2.297   1.150  1.00  0.00           C  
HETATM    4  N   UNL     1       0.071   2.027   1.115  1.00  0.00           N  
HETATM    5  C   UNL     1       1.260   1.762   0.539  1.00  0.00           C  
HETATM    6  O   UNL     1       3.442  -0.301   0.568  1.00  0.00           O  
HETATM    7  C   UNL     1       6.717  -1.429  -1.716  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.148  -0.107   1.946  1.00  0.00           O  
HETATM    9  C   UNL     1       4.355   3.103  -0.170  1.00  0.00           C  
HETATM   10  C   UNL     1       3.961   4.221   0.828  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.762  -0.930   0.388  1.00  0.00           N  
HETATM   12  C   UNL     1       4.071   0.623   0.098  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.688   0.139  -0.372  1.00  0.00           O  
HETATM   14  C   UNL     1       5.285   0.352  -0.753  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.447   2.189  -0.007  1.00  0.00           O  
HETATM   16  C   UNL     1       5.503  -1.158  -0.865  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.649  -1.765   3.334  1.00  0.00           N  
HETATM   18  O   UNL     1      -2.667  -2.380   2.650  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.511  -2.144   2.370  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.108  -1.639   4.720  1.00  0.00           C  
HETATM   21  C   UNL     1       0.748  -1.480   2.997  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.038  -2.275   0.945  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.128  -2.939   0.102  1.00  0.00           C  
HETATM   24  S   UNL     1      -3.522  -1.796  -0.098  1.00  0.00           S  
HETATM   25  C   UNL     1      -3.628  -1.594  -1.898  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.647  -0.533  -2.226  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.640  -0.790  -3.148  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.577   0.183  -3.449  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.526   1.417  -2.826  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.537   1.689  -1.904  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.585   0.713  -1.599  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.514   0.994  -0.622  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.340   2.397   0.929  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.402   0.103   1.013  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.163   1.507   0.521  1.00  0.00           C  
HETATM   36  O   UNL     1       1.308   1.093  -0.472  1.00  0.00           O  
HETATM   37  O   UNL     1       7.346  -0.505  -2.187  1.00  0.00           O  
HETATM   38  N   UNL     1       7.103  -2.698  -1.955  1.00  0.00           N  
HETATM   39  C   UNL     1       8.284  -2.961  -2.782  1.00  0.00           C  
HETATM   40  H   UNL     1       1.816   4.218   0.399  1.00  0.00           H  
HETATM   41  H   UNL     1       2.215   4.214   2.146  1.00  0.00           H  
HETATM   42  H   UNL     1       2.641   1.920   2.166  1.00  0.00           H  
HETATM   43  H   UNL     1       0.032   2.562   1.923  1.00  0.00           H  
HETATM   44  H   UNL     1       5.436   2.964  -0.177  1.00  0.00           H  
HETATM   45  H   UNL     1       3.997   3.344  -1.172  1.00  0.00           H  
HETATM   46  H   UNL     1       4.012   5.201   0.355  1.00  0.00           H  
HETATM   47  H   UNL     1       4.587   4.186   1.720  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.166  -0.793  -0.364  1.00  0.00           H  
HETATM   49  H   UNL     1       5.133   0.772  -1.747  1.00  0.00           H  
HETATM   50  H   UNL     1       6.161   0.812  -0.294  1.00  0.00           H  
HETATM   51  H   UNL     1       4.628  -1.618  -1.324  1.00  0.00           H  
HETATM   52  H   UNL     1       5.655  -1.578   0.129  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.980  -2.591   5.234  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.524  -0.871   5.227  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.162  -1.359   4.729  1.00  0.00           H  
HETATM   56  H   UNL     1       1.337  -2.394   3.084  1.00  0.00           H  
HETATM   57  H   UNL     1       0.806  -1.107   1.975  1.00  0.00           H  
HETATM   58  H   UNL     1       1.141  -0.729   3.682  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.130  -2.877   0.915  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.724  -3.194  -0.878  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.471  -3.846   0.600  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.655  -1.296  -2.288  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.928  -2.538  -2.352  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.687  -1.752  -3.637  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.352  -0.023  -4.173  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.263   2.170  -3.063  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.498   2.653  -1.419  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.033   3.442   0.902  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.663   2.138   1.937  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.071   1.503  -0.565  1.00  0.00           H  
HETATM   71  H   UNL     1       6.600  -3.437  -1.579  1.00  0.00           H  
HETATM   72  H   UNL     1       8.439  -4.037  -2.862  1.00  0.00           H  
HETATM   73  H   UNL     1       8.131  -2.541  -3.776  1.00  0.00           H  
HETATM   74  H   UNL     1       9.159  -2.501  -2.323  1.00  0.00           H  
CONECT    1    3   12    9                                            
CONECT    2    3   10   40   41                                       
CONECT    3    5    2    1   42                                       
CONECT    4   35    5   43                                            
CONECT    5    4   36   36    3                                       
CONECT    6   12   12                                                 
CONECT    7   37   37   16   38                                       
CONECT    8   34   34                                                 
CONECT    9    1   10   44   45                                       
CONECT   10    2    9   46   47                                       
CONECT   11   34   22   48                                            
CONECT   12    6    6    1   14                                       
CONECT   13   32   32                                                 
CONECT   14   12   16   49   50                                       
CONECT   15   32   33                                                 
CONECT   16    7   14   51   52                                       
CONECT   17   21   19   20                                            
CONECT   18   19   19                                                 
CONECT   19   22   17   18   18                                       
CONECT   20   17   53   54   55                                       
CONECT   21   17   56   57   58                                       
CONECT   22   11   23   19   59                                       
CONECT   23   24   22   60   61                                       
CONECT   24   25   23                                                 
CONECT   25   26   24   62   63                                       
CONECT   26   31   31   27   25                                       
CONECT   27   28   28   26   64                                       
CONECT   28   29   27   27   65                                       
CONECT   29   30   30   28   66                                       
CONECT   30   29   29   31   67                                       
CONECT   31   30   32   26   26                                       
CONECT   32   13   13   31   15                                       
CONECT   33   15   35   68   69                                       
CONECT   34    8    8   35   11                                       
CONECT   35   33   34    4   70                                       
CONECT   36    5    5                                                 
CONECT   37    7    7                                                 
CONECT   38    7   39   71                                            
CONECT   39   38   72   73   74                                       
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   33                                                      
CONECT   69   33                                                      
CONECT   70   35                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
CONECT   73   39                                                      
CONECT   74   39                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
