COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.417   0.570   1.043  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.378  -0.303  -0.953  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.286  -1.340  -0.969  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.264  -1.425   0.015  1.00  0.00           C  
HETATM    5  C   UNL     1       4.585  -3.473   0.479  1.00  0.00           C  
HETATM    6  C   UNL     1       4.846  -4.814   0.242  1.00  0.00           C  
HETATM    7  C   UNL     1       4.040  -5.535  -0.618  1.00  0.00           C  
HETATM    8  C   UNL     1       2.966  -4.928  -1.248  1.00  0.00           C  
HETATM    9  C   UNL     1       2.690  -3.595  -1.024  1.00  0.00           C  
HETATM   10  C   UNL     1       3.498  -2.853  -0.158  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.088   1.539  -0.032  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.438   0.659   0.054  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.455  -2.268   0.391  1.00  0.00           C  
HETATM   14  C   UNL     1       6.747  -2.756   1.422  1.00  0.00           C  
HETATM   15 CL   UNL     1       1.962  -5.848  -2.325  1.00  0.00          Cl  
HETATM   16 CL   UNL     1      -5.577   3.471   0.346  1.00  0.00          Cl  
HETATM   17  N   UNL     1       0.535   1.016  -0.372  1.00  0.00           N  
HETATM   18  C   UNL     1       0.250   2.432  -0.130  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.240   2.632  -0.012  1.00  0.00           C  
HETATM   20  C   UNL     1       0.786   3.267  -1.294  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.735   3.849   0.109  1.00  0.00           N  
HETATM   22  N   UNL     1      -2.994   4.075   0.211  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.886   3.103   0.203  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.463   1.776   0.073  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.323  -0.469   1.023  1.00  0.00           C  
HETATM   26  N   UNL     1      -7.183  -2.477  -0.004  1.00  0.00           N  
HETATM   27  N   UNL     1       5.398  -2.743   1.353  1.00  0.00           N  
HETATM   28  C   UNL     1       3.212  -1.431   0.086  1.00  0.00           C  
HETATM   29  N   UNL     1       7.095  -1.934   2.378  1.00  0.00           N  
HETATM   30  N   UNL     1       6.057  -1.403   2.917  1.00  0.00           N  
HETATM   31  N   UNL     1       4.986  -1.838   2.347  1.00  0.00           N  
HETATM   32  C   UNL     1       2.015  -0.915  -0.264  1.00  0.00           C  
HETATM   33  C   UNL     1       1.730   0.500  -0.022  1.00  0.00           C  
HETATM   34  O   UNL     1       2.572   1.211   0.495  1.00  0.00           O  
HETATM   35  O   UNL     1      -8.782  -1.188   0.841  1.00  0.00           O  
HETATM   36  O   UNL     1      -9.363  -3.257   0.288  1.00  0.00           O  
HETATM   37  C   UNL     1     -10.713  -2.961   0.733  1.00  0.00           C  
HETATM   38  C   UNL     1       2.312   3.163  -1.336  1.00  0.00           C  
HETATM   39  C   UNL     1       2.840   3.895  -2.572  1.00  0.00           C  
HETATM   40  C   UNL     1       4.363   3.763  -2.633  1.00  0.00           C  
HETATM   41  C   UNL     1       4.978   4.412  -1.388  1.00  0.00           C  
HETATM   42  N   UNL     1       4.367   3.813  -0.193  1.00  0.00           N  
HETATM   43  C   UNL     1       2.903   3.805  -0.077  1.00  0.00           C  
HETATM   44  C   UNL     1       5.136   3.281   0.778  1.00  0.00           C  
HETATM   45  O   UNL     1       4.621   2.790   1.759  1.00  0.00           O  
HETATM   46  C   UNL     1       6.637   3.297   0.643  1.00  0.00           C  
HETATM   47  H   UNL     1      -5.463   1.311   1.827  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.618  -0.238  -1.717  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.237  -2.088  -1.747  1.00  0.00           H  
HETATM   50  H   UNL     1       5.681  -5.295   0.729  1.00  0.00           H  
HETATM   51  H   UNL     1       4.248  -6.580  -0.799  1.00  0.00           H  
HETATM   52  H   UNL     1       1.852  -3.125  -1.518  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.701   0.535  -0.131  1.00  0.00           H  
HETATM   54  H   UNL     1       7.415  -3.340   0.806  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.136   0.449  -0.784  1.00  0.00           H  
HETATM   56  H   UNL     1       0.732   2.747   0.796  1.00  0.00           H  
HETATM   57  H   UNL     1       0.370   2.894  -2.230  1.00  0.00           H  
HETATM   58  H   UNL     1       0.496   4.309  -1.158  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.078  -0.542   1.791  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.906  -3.358  -0.301  1.00  0.00           H  
HETATM   61  H   UNL     1       3.959  -0.801   0.544  1.00  0.00           H  
HETATM   62  H   UNL     1       1.268  -1.545  -0.723  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.696  -2.688   1.788  1.00  0.00           H  
HETATM   64  H   UNL     1     -11.115  -2.132   0.149  1.00  0.00           H  
HETATM   65  H   UNL     1     -11.342  -3.841   0.595  1.00  0.00           H  
HETATM   66  H   UNL     1       2.604   2.114  -1.382  1.00  0.00           H  
HETATM   67  H   UNL     1       2.402   3.456  -3.469  1.00  0.00           H  
HETATM   68  H   UNL     1       2.568   4.949  -2.514  1.00  0.00           H  
HETATM   69  H   UNL     1       4.637   2.709  -2.666  1.00  0.00           H  
HETATM   70  H   UNL     1       4.737   4.264  -3.526  1.00  0.00           H  
HETATM   71  H   UNL     1       6.053   4.234  -1.377  1.00  0.00           H  
HETATM   72  H   UNL     1       4.784   5.484  -1.401  1.00  0.00           H  
HETATM   73  H   UNL     1       2.538   4.827   0.018  1.00  0.00           H  
HETATM   74  H   UNL     1       2.609   3.227   0.800  1.00  0.00           H  
HETATM   75  H   UNL     1       6.966   2.389   0.138  1.00  0.00           H  
HETATM   76  H   UNL     1       6.941   4.168   0.062  1.00  0.00           H  
HETATM   77  H   UNL     1       7.090   3.346   1.634  1.00  0.00           H  
CONECT    1   12   12   25   47                                       
CONECT    2   12    3    3   48                                       
CONECT    3    2    2    4   49                                       
CONECT    4   25   25    3   26                                       
CONECT    5   27    6    6   10                                       
CONECT    6    5    5    7   50                                       
CONECT    7    6    8    8   51                                       
CONECT    8    7    7    9   15                                       
CONECT    9   10   10    8   52                                       
CONECT   10    5   28    9    9                                       
CONECT   11   19   19   24   53                                       
CONECT   12   24    1    1    2                                       
CONECT   13   35   35   26   36                                       
CONECT   14   29   29   27   54                                       
CONECT   15    8                                                      
CONECT   16   23                                                      
CONECT   17   18   33   55                                            
CONECT   18   20   19   17   56                                       
CONECT   19   21   18   11   11                                       
CONECT   20   38   18   57   58                                       
CONECT   21   22   22   19                                            
CONECT   22   21   21   23                                            
CONECT   23   22   16   24   24                                       
CONECT   24   23   23   11   12                                       
CONECT   25    1    4    4   59                                       
CONECT   26    4   13   60                                            
CONECT   27   14   31    5                                            
CONECT   28   10   32   32   61                                       
CONECT   29   14   14   30                                            
CONECT   30   29   31   31                                            
CONECT   31   30   30   27                                            
CONECT   32   28   28   33   62                                       
CONECT   33   17   32   34   34                                       
CONECT   34   33   33                                                 
CONECT   35   13   13                                                 
CONECT   36   13   37                                                 
CONECT   37   36   63   64   65                                       
CONECT   38   43   20   39   66                                       
CONECT   39   38   40   67   68                                       
CONECT   40   41   39   69   70                                       
CONECT   41   42   40   71   72                                       
CONECT   42   44   43   41                                            
CONECT   43   42   38   73   74                                       
CONECT   44   46   45   45   42                                       
CONECT   45   44   44                                                 
CONECT   46   44   75   76   77                                       
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    9                                                      
CONECT   53   11                                                      
CONECT   54   14                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   28                                                      
CONECT   62   32                                                      
CONECT   63   37                                                      
CONECT   64   37                                                      
CONECT   65   37                                                      
CONECT   66   38                                                      
CONECT   67   39                                                      
CONECT   68   39                                                      
CONECT   69   40                                                      
CONECT   70   40                                                      
CONECT   71   41                                                      
CONECT   72   41                                                      
CONECT   73   43                                                      
CONECT   74   43                                                      
CONECT   75   46                                                      
CONECT   76   46                                                      
CONECT   77   46                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
