COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.334   0.831   1.769  1.00  0.00           C  
HETATM    2  C   UNL     1       4.255  -1.281   0.894  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.082   1.822   1.151  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.469   1.765   1.173  1.00  0.00           C  
HETATM    5  C   UNL     1       1.497  -2.035   2.359  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.179  -1.282   3.113  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.914  -1.609   2.357  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.950  -1.835   0.870  1.00  0.00           C  
HETATM    9  C   UNL     1       0.230  -1.684   3.018  1.00  0.00           C  
HETATM   10  C   UNL     1       2.619  -1.459   2.780  1.00  0.00           C  
HETATM   11  C   UNL     1       3.958  -1.903   2.254  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.967  -0.213   2.415  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.103   0.711   1.814  1.00  0.00           C  
HETATM   14  C   UNL     1       6.403  -0.554  -0.038  1.00  0.00           C  
HETATM   15  C   UNL     1       4.497   0.854  -0.362  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.351  -0.279   2.425  1.00  0.00           C  
HETATM   17  C   UNL     1       3.959   0.218   0.919  1.00  0.00           C  
HETATM   18  C   UNL     1       4.237   2.364  -0.344  1.00  0.00           C  
HETATM   19  C   UNL     1       3.100   2.696  -1.314  1.00  0.00           C  
HETATM   20  C   UNL     1       5.506   3.105  -0.773  1.00  0.00           C  
HETATM   21  C   UNL     1       2.040   3.676  -0.859  1.00  0.00           C  
HETATM   22  C   UNL     1       0.594   3.445  -1.305  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.355   3.983  -0.240  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.087   2.837   0.418  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.210   4.027  -0.063  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.046  -0.470   2.511  1.00  0.00           C  
HETATM   27  C   UNL     1       4.408  -4.014   3.298  1.00  0.00           C  
HETATM   28  C   UNL     1       2.191   4.291   0.534  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.547   1.664  -2.411  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.834   0.235  -2.650  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.777  -0.141  -3.608  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.040  -1.477  -3.826  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.371  -2.445  -3.097  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.435  -2.080  -2.146  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.158  -0.747  -1.922  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.669  -3.903  -3.335  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.806  -4.348  -2.414  1.00  0.00           C  
HETATM   38  N   UNL     1       5.665  -1.495   0.563  1.00  0.00           N  
HETATM   39  N   UNL     1      -2.452   2.905   0.496  1.00  0.00           N  
HETATM   40  N   UNL     1      -3.096  -5.766  -2.646  1.00  0.00           N  
HETATM   41  N   UNL     1      -2.994  -6.505  -1.805  1.00  0.00           N1+
HETATM   42  N   UNL     1      -2.893  -7.244  -0.964  1.00  0.00           N1-
HETATM   43  O   UNL     1       3.961  -3.327   2.127  1.00  0.00           O  
HETATM   44  O   UNL     1       5.917   0.612  -0.480  1.00  0.00           O  
HETATM   45  O   UNL     1       7.588  -0.772  -0.193  1.00  0.00           O  
HETATM   46  O   UNL     1       3.018   4.021  -1.829  1.00  0.00           O  
HETATM   47  O   UNL     1       0.364   2.023  -1.486  1.00  0.00           O  
HETATM   48  O   UNL     1      -0.483   1.885   0.863  1.00  0.00           O  
HETATM   49  O   UNL     1      -6.461   0.643   1.833  1.00  0.00           O  
HETATM   50  O   UNL     1      -1.133   2.516  -3.049  1.00  0.00           O  
HETATM   51  O   UNL     1       3.443  -1.909  -0.102  1.00  0.00           O  
HETATM   52 CL   UNL     1      -5.405   3.007   0.402  1.00  0.00          Cl  
HETATM   53  H   UNL     1      -1.256   0.874   1.741  1.00  0.00           H  
HETATM   54  H   UNL     1       1.530  -2.771   1.576  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.789  -2.181   3.194  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.918  -0.937   4.114  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.793  -0.887   0.355  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.163  -2.536   0.590  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.919  -2.246   0.588  1.00  0.00           H  
HETATM   60  H   UNL     1       2.571  -0.652   3.504  1.00  0.00           H  
HETATM   61  H   UNL     1       4.734  -1.607   2.959  1.00  0.00           H  
HETATM   62  H   UNL     1       3.988   0.414  -1.221  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.845  -1.102   2.920  1.00  0.00           H  
HETATM   64  H   UNL     1       2.882   0.377   0.981  1.00  0.00           H  
HETATM   65  H   UNL     1       4.445   0.672   1.783  1.00  0.00           H  
HETATM   66  H   UNL     1       3.958   2.673   0.663  1.00  0.00           H  
HETATM   67  H   UNL     1       2.769   1.873  -1.950  1.00  0.00           H  
HETATM   68  H   UNL     1       5.784   2.796  -1.780  1.00  0.00           H  
HETATM   69  H   UNL     1       5.321   4.179  -0.760  1.00  0.00           H  
HETATM   70  H   UNL     1       6.316   2.867  -0.083  1.00  0.00           H  
HETATM   71  H   UNL     1       0.417   3.966  -2.246  1.00  0.00           H  
HETATM   72  H   UNL     1       0.216   4.527   0.512  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.076   4.656  -0.703  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.844   4.459   0.711  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.519   4.785  -0.432  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.832   3.671  -0.885  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.132  -0.403   2.451  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.713  -1.397   2.043  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.738  -0.461   3.557  1.00  0.00           H  
HETATM   80  H   UNL     1       5.428  -3.709   3.532  1.00  0.00           H  
HETATM   81  H   UNL     1       3.755  -3.767   4.135  1.00  0.00           H  
HETATM   82  H   UNL     1       4.381  -5.089   3.121  1.00  0.00           H  
HETATM   83  H   UNL     1       3.243   4.508   0.723  1.00  0.00           H  
HETATM   84  H   UNL     1       1.615   5.214   0.587  1.00  0.00           H  
HETATM   85  H   UNL     1       1.824   3.589   1.283  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.301   0.613  -4.177  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.770  -1.769  -4.567  1.00  0.00           H  
HETATM   88  H   UNL     1       0.083  -2.840  -1.581  1.00  0.00           H  
HETATM   89  H   UNL     1       0.573  -0.463  -1.180  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.965  -4.048  -4.374  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.778  -4.495  -3.125  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.510  -4.203  -1.375  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.697  -3.757  -2.624  1.00  0.00           H  
HETATM   94  H   UNL     1       6.077  -2.344   0.786  1.00  0.00           H  
HETATM   95  H   UNL     1       3.582  -2.863  -0.178  1.00  0.00           H  
HETATM   96  H   UNL     1       0.235  -1.487   4.088  1.00  0.00           H  
CONECT    1   12    3    3   53                                       
CONECT    2   11   51   38   17                                       
CONECT    3    1    1    4   39                                       
CONECT    4   13   13    3   52                                       
CONECT    5   10   10    9   54                                       
CONECT    6    7   12   55   56                                       
CONECT    7    9    9    6    8                                       
CONECT    8    7   57   58   59                                       
CONECT    9    5    7    7   96                                       
CONECT   10   11    5    5   60                                       
CONECT   11   43   10    2   61                                       
CONECT   12    6   16   16    1                                       
CONECT   13   16   49    4    4                                       
CONECT   14   38   45   45   44                                       
CONECT   15   17   44   18   62                                       
CONECT   16   12   12   13   63                                       
CONECT   17    2   15   64   65                                       
CONECT   18   15   19   20   66                                       
CONECT   19   21   18   46   67                                       
CONECT   20   18   68   69   70                                       
CONECT   21   28   22   19   46                                       
CONECT   22   47   21   23   71                                       
CONECT   23   22   24   72   73                                       
CONECT   24   39   23   48   48                                       
CONECT   25   39   74   75   76                                       
CONECT   26   49   77   78   79                                       
CONECT   27   43   80   81   82                                       
CONECT   28   21   83   84   85                                       
CONECT   29   30   47   50   50                                       
CONECT   30   35   35   31   29                                       
CONECT   31   32   32   30   86                                       
CONECT   32   33   31   31   87                                       
CONECT   33   36   34   34   32                                       
CONECT   34   33   33   35   88                                       
CONECT   35   34   30   30   89                                       
CONECT   36   37   33   90   91                                       
CONECT   37   40   36   92   93                                       
CONECT   38    2   14   94                                            
CONECT   39    3   25   24                                            
CONECT   40   37   41   41                                            
CONECT   41   40   40   42   42                                       
CONECT   42   41   41                                                 
CONECT   43   27   11                                                 
CONECT   44   14   15                                                 
CONECT   45   14   14                                                 
CONECT   46   21   19                                                 
CONECT   47   29   22                                                 
CONECT   48   24   24                                                 
CONECT   49   13   26                                                 
CONECT   50   29   29                                                 
CONECT   51    2   95                                                 
CONECT   52    4                                                      
CONECT   53    1                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59    8                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   26                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   28                                                      
CONECT   85   28                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   34                                                      
CONECT   89   35                                                      
CONECT   90   36                                                      
CONECT   91   36                                                      
CONECT   92   37                                                      
CONECT   93   37                                                      
CONECT   94   38                                                      
CONECT   95   51                                                      
CONECT   96    9                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
