COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       6.964   0.439   1.191  1.00  0.00           N  
HETATM    2  C   UNL     1       6.986  -0.273   0.092  1.00  0.00           C  
HETATM    3  N   UNL     1       8.279  -0.415  -0.340  1.00  0.00           N  
HETATM    4  C   UNL     1       9.081   0.252   0.556  1.00  0.00           C  
HETATM    5  C   UNL     1      10.451   0.463   0.655  1.00  0.00           C  
HETATM    6  C   UNL     1      10.954   1.199   1.705  1.00  0.00           C  
HETATM    7  C   UNL     1      10.103   1.732   2.666  1.00  0.00           C  
HETATM    8  C   UNL     1       8.755   1.537   2.588  1.00  0.00           C  
HETATM    9  C   UNL     1       8.217   0.792   1.529  1.00  0.00           C  
HETATM   10  C   UNL     1       5.795  -0.832  -0.584  1.00  0.00           C  
HETATM   11  O   UNL     1       5.924  -1.481  -1.603  1.00  0.00           O  
HETATM   12  N   UNL     1       4.568  -0.623  -0.069  1.00  0.00           N  
HETATM   13  C   UNL     1       3.388  -1.177  -0.738  1.00  0.00           C  
HETATM   14  C   UNL     1       3.174  -2.621  -0.280  1.00  0.00           C  
HETATM   15  S   UNL     1       4.632  -3.613  -0.705  1.00  0.00           S  
HETATM   16  C   UNL     1       4.195  -5.264  -0.094  1.00  0.00           C  
HETATM   17  C   UNL     1       2.177  -0.353  -0.385  1.00  0.00           C  
HETATM   18  O   UNL     1       2.288   0.603   0.353  1.00  0.00           O  
HETATM   19  N   UNL     1       0.970  -0.679  -0.890  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.207   0.122  -0.547  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.300   1.323  -1.491  1.00  0.00           C  
HETATM   22  C   UNL     1       0.899   2.246  -1.261  1.00  0.00           C  
HETATM   23  C   UNL     1       0.826   2.834   0.150  1.00  0.00           C  
HETATM   24  C   UNL     1       0.873   3.380  -2.287  1.00  0.00           C  
HETATM   25  C   UNL     1       2.024   3.757   0.380  1.00  0.00           C  
HETATM   26  C   UNL     1       2.072   4.303  -2.057  1.00  0.00           C  
HETATM   27  C   UNL     1       1.999   4.891  -0.646  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.466  -0.735  -0.688  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.643  -1.100  -2.058  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.682   0.061  -0.211  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.921  -0.836  -0.235  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.753  -1.965   0.784  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.888  -2.896   0.678  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.794  -3.638   0.593  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.139  -0.021   0.116  1.00  0.00           C  
HETATM   36  O   UNL     1      -5.027   1.162   0.361  1.00  0.00           O  
HETATM   37  O   UNL     1     -12.566   1.068   0.443  1.00  0.00           O  
HETATM   38  C   UNL     1     -12.327   0.081   1.450  1.00  0.00           C  
HETATM   39  C   UNL     1     -11.130  -0.781   1.038  1.00  0.00           C  
HETATM   40  N   UNL     1      -9.962   0.084   0.818  1.00  0.00           N  
HETATM   41  C   UNL     1     -10.244   1.085  -0.221  1.00  0.00           C  
HETATM   42  C   UNL     1     -11.449   1.928   0.203  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.775  -0.711   0.476  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.536   0.187   0.500  1.00  0.00           C  
HETATM   45  N   UNL     1      -6.353  -0.606   0.158  1.00  0.00           N  
HETATM   46  H   UNL     1       8.573  -0.897  -1.130  1.00  0.00           H  
HETATM   47  H   UNL     1      11.118   0.053  -0.088  1.00  0.00           H  
HETATM   48  H   UNL     1      12.019   1.363   1.783  1.00  0.00           H  
HETATM   49  H   UNL     1      10.513   2.307   3.483  1.00  0.00           H  
HETATM   50  H   UNL     1       8.103   1.957   3.340  1.00  0.00           H  
HETATM   51  H   UNL     1       4.465  -0.105   0.745  1.00  0.00           H  
HETATM   52  H   UNL     1       3.540  -1.157  -1.817  1.00  0.00           H  
HETATM   53  H   UNL     1       2.296  -3.034  -0.778  1.00  0.00           H  
HETATM   54  H   UNL     1       3.022  -2.642   0.799  1.00  0.00           H  
HETATM   55  H   UNL     1       5.012  -5.956  -0.298  1.00  0.00           H  
HETATM   56  H   UNL     1       4.018  -5.218   0.981  1.00  0.00           H  
HETATM   57  H   UNL     1       3.292  -5.610  -0.596  1.00  0.00           H  
HETATM   58  H   UNL     1       0.882  -1.443  -1.480  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.121   0.474   0.481  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.297   0.975  -2.523  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.222   1.869  -1.294  1.00  0.00           H  
HETATM   62  H   UNL     1       1.822   1.677  -1.370  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.097   3.403   0.260  1.00  0.00           H  
HETATM   64  H   UNL     1       0.844   2.026   0.882  1.00  0.00           H  
HETATM   65  H   UNL     1       0.925   2.962  -3.292  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.050   3.949  -2.178  1.00  0.00           H  
HETATM   67  H   UNL     1       1.973   4.175   1.385  1.00  0.00           H  
HETATM   68  H   UNL     1       2.948   3.188   0.271  1.00  0.00           H  
HETATM   69  H   UNL     1       2.995   3.734  -2.167  1.00  0.00           H  
HETATM   70  H   UNL     1       2.053   5.111  -2.789  1.00  0.00           H  
HETATM   71  H   UNL     1       1.076   5.460  -0.537  1.00  0.00           H  
HETATM   72  H   UNL     1       2.853   5.548  -0.482  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.362  -1.636  -0.083  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.743  -0.347  -2.656  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.509   0.415   0.805  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.839   0.914  -0.871  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.043  -1.261  -1.231  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.824  -2.500   0.583  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.720  -1.546   1.789  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.604  -4.302   0.517  1.00  0.00           H  
HETATM   81  H   UNL     1     -12.112   0.573   2.398  1.00  0.00           H  
HETATM   82  H   UNL     1     -13.210  -0.549   1.559  1.00  0.00           H  
HETATM   83  H   UNL     1     -11.366  -1.315   0.118  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.909  -1.497   1.829  1.00  0.00           H  
HETATM   85  H   UNL     1      -9.375   1.731  -0.350  1.00  0.00           H  
HETATM   86  H   UNL     1     -10.465   0.581  -1.162  1.00  0.00           H  
HETATM   87  H   UNL     1     -11.697   2.634  -0.590  1.00  0.00           H  
HETATM   88  H   UNL     1     -11.209   2.475   1.115  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.655  -1.515   1.202  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.897  -1.135  -0.520  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.414   0.612   1.496  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.657   0.991  -0.226  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.442  -1.551  -0.038  1.00  0.00           H  
CONECT    1    2    2    9                                            
CONECT    2    1    1    3   10                                       
CONECT    3    2    4   46                                            
CONECT    4    3    9    9    5                                       
CONECT    5    6    6   47    4                                       
CONECT    6    7   48    5    5                                       
CONECT    7    8    8   49    6                                       
CONECT    8    9    7    7   50                                       
CONECT    9    8    1    4    4                                       
CONECT   10   11   11    2   12                                       
CONECT   11   10   10                                                 
CONECT   12   51   10   13                                            
CONECT   13   12   17   52   14                                       
CONECT   14   15   13   53   54                                       
CONECT   15   16   14                                                 
CONECT   16   15   55   56   57                                       
CONECT   17   13   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   20   58   17                                            
CONECT   20   19   28   21   59                                       
CONECT   21   20   60   61   22                                       
CONECT   22   21   24   23   62                                       
CONECT   23   22   63   64   25                                       
CONECT   24   22   65   66   26                                       
CONECT   25   23   27   67   68                                       
CONECT   26   24   27   69   70                                       
CONECT   27   25   26   71   72                                       
CONECT   28   20   29   30   73                                       
CONECT   29   74   28                                                 
CONECT   30   28   75   76   31                                       
CONECT   31   30   35   77   32                                       
CONECT   32   31   33   78   79                                       
CONECT   33   32   34   34   34                                       
CONECT   34   33   33   33   80                                       
CONECT   35   36   36   31   45                                       
CONECT   36   35   35                                                 
CONECT   37   38   42                                                 
CONECT   38   37   81   82   39                                       
CONECT   39   40   38   83   84                                       
CONECT   40   39   41   43                                            
CONECT   41   40   42   85   86                                       
CONECT   42   41   37   87   88                                       
CONECT   43   40   44   89   90                                       
CONECT   44   45   43   91   92                                       
CONECT   45   35   44   93                                            
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   34                                                      
CONECT   81   38                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   39                                                      
CONECT   85   41                                                      
CONECT   86   41                                                      
CONECT   87   42                                                      
CONECT   88   42                                                      
CONECT   89   43                                                      
CONECT   90   43                                                      
CONECT   91   44                                                      
CONECT   92   44                                                      
CONECT   93   45                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
