COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.473   2.195   0.029  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.860   0.741   0.311  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.281   0.483  -0.196  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.650  -0.984   0.047  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.592  -1.862  -0.575  1.00  0.00           C  
HETATM    6  C   UNL     1       4.522  -2.979   1.387  1.00  0.00           C  
HETATM    7  C   UNL     1       5.813  -2.289   0.933  1.00  0.00           C  
HETATM    8  C   UNL     1       5.487  -0.819   0.637  1.00  0.00           C  
HETATM    9  N   UNL     1       4.030  -0.690   0.526  1.00  0.00           N  
HETATM   10  N   UNL     1       3.321  -1.580  -0.226  1.00  0.00           N  
HETATM   11  C   UNL     1       3.501  -2.954   0.250  1.00  0.00           C  
HETATM   12  C   UNL     1       2.186  -3.497   0.747  1.00  0.00           C  
HETATM   13  O   UNL     1       1.591  -4.519   0.113  1.00  0.00           O  
HETATM   14  O   UNL     1       1.665  -3.010   1.722  1.00  0.00           O  
HETATM   15  C   UNL     1       0.382  -5.052   0.710  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.789  -4.909  -0.264  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.855  -4.042   0.356  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.738  -3.416  -0.412  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.772  -2.564   0.198  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.000   2.376   0.276  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.325   1.440   0.647  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.264   3.122   0.953  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.350   0.785  -1.694  1.00  0.00           C  
HETATM   24  O   UNL     1      -6.919  -1.263  -0.549  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.949  -0.134  -0.358  1.00  0.00           O  
HETATM   26  C   UNL     1      -7.665  -2.280   0.122  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.457   0.379  -1.598  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.426   3.602   0.082  1.00  0.00           N  
HETATM   29  C   UNL     1       0.033   3.654   0.335  1.00  0.00           C  
HETATM   30  C   UNL     1       0.575   2.250   0.250  1.00  0.00           C  
HETATM   31  O   UNL     1       0.201   1.505  -0.631  1.00  0.00           O  
HETATM   32  C   UNL     1       0.294   4.225   1.730  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.169   5.682   1.781  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.478   3.408   2.768  1.00  0.00           C  
HETATM   35  C   UNL     1       3.390   0.306   1.172  1.00  0.00           C  
HETATM   36  C   UNL     1       1.890   0.408   1.078  1.00  0.00           C  
HETATM   37  O   UNL     1       4.017   1.113   1.825  1.00  0.00           O  
HETATM   38  C   UNL     1       1.423  -0.175  -0.257  1.00  0.00           C  
HETATM   39  C   UNL     1       2.225   0.432  -1.378  1.00  0.00           C  
HETATM   40  C   UNL     1       2.052  -0.019  -2.674  1.00  0.00           C  
HETATM   41  C   UNL     1       2.782   0.540  -3.707  1.00  0.00           C  
HETATM   42  C   UNL     1       3.687   1.551  -3.446  1.00  0.00           C  
HETATM   43  C   UNL     1       3.863   2.005  -2.146  1.00  0.00           C  
HETATM   44  C   UNL     1       3.129   1.443  -1.112  1.00  0.00           C  
HETATM   45  O   UNL     1       4.753   2.999  -1.887  1.00  0.00           O  
HETATM   46  N   UNL     1       1.485   1.824   1.165  1.00  0.00           N  
HETATM   47  H   UNL     1      -3.700   2.436  -1.010  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.819   0.556   1.385  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.980   1.127   0.337  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.700  -1.176   1.118  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.504  -1.916  -1.650  1.00  0.00           H  
HETATM   52  H   UNL     1       4.738  -4.012   1.658  1.00  0.00           H  
HETATM   53  H   UNL     1       4.115  -2.454   2.252  1.00  0.00           H  
HETATM   54  H   UNL     1       6.561  -2.349   1.724  1.00  0.00           H  
HETATM   55  H   UNL     1       6.191  -2.772   0.031  1.00  0.00           H  
HETATM   56  H   UNL     1       5.851  -0.190   1.450  1.00  0.00           H  
HETATM   57  H   UNL     1       5.957  -0.518  -0.299  1.00  0.00           H  
HETATM   58  H   UNL     1       3.562  -1.501  -1.202  1.00  0.00           H  
HETATM   59  H   UNL     1       3.860  -3.581  -0.568  1.00  0.00           H  
HETATM   60  H   UNL     1       0.529  -6.105   0.946  1.00  0.00           H  
HETATM   61  H   UNL     1       0.158  -4.503   1.625  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.439  -4.449  -1.188  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.203  -5.893  -0.482  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.903  -3.934   1.433  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.699  -3.528  -1.483  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.863  -2.509   1.273  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.987   4.157   0.752  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.331   2.990   0.773  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.038   2.880   1.991  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.726   0.075  -2.238  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.382   0.698  -2.036  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.992   1.798  -1.878  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.614  -2.433  -0.391  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.096  -3.210   0.119  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.854  -1.973   1.151  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.296   0.649  -2.238  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.845   1.261  -1.409  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.853  -0.383  -2.091  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.935   4.377  -0.201  1.00  0.00           H  
HETATM   80  H   UNL     1       0.514   4.281  -0.415  1.00  0.00           H  
HETATM   81  H   UNL     1       1.361   4.175   1.949  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.250   5.724   1.650  1.00  0.00           H  
HETATM   83  H   UNL     1       0.098   6.115   2.745  1.00  0.00           H  
HETATM   84  H   UNL     1       0.316   6.245   0.983  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.148   2.369   2.733  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.292   3.814   3.763  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.545   3.458   2.549  1.00  0.00           H  
HETATM   88  H   UNL     1       1.436  -0.150   1.897  1.00  0.00           H  
HETATM   89  H   UNL     1       1.566  -1.256  -0.251  1.00  0.00           H  
HETATM   90  H   UNL     1       0.366   0.051  -0.402  1.00  0.00           H  
HETATM   91  H   UNL     1       1.345  -0.809  -2.880  1.00  0.00           H  
HETATM   92  H   UNL     1       2.645   0.187  -4.718  1.00  0.00           H  
HETATM   93  H   UNL     1       4.258   1.987  -4.252  1.00  0.00           H  
HETATM   94  H   UNL     1       3.260   1.798  -0.101  1.00  0.00           H  
HETATM   95  H   UNL     1       4.359   3.882  -1.861  1.00  0.00           H  
HETATM   96  H   UNL     1       1.848   2.420   1.839  1.00  0.00           H  
CONECT    1    2   22   20   47                                       
CONECT    2    3   25    1   48                                       
CONECT    3    4   23    2   49                                       
CONECT    4   24    5    3   50                                       
CONECT    5   19   19    4   51                                       
CONECT    6   11    7   52   53                                       
CONECT    7    6    8   54   55                                       
CONECT    8    7    9   56   57                                       
CONECT    9   10    8   35                                            
CONECT   10   11    9   58                                            
CONECT   11   12    6   10   59                                       
CONECT   12   13   14   14   11                                       
CONECT   13   15   12                                                 
CONECT   14   12   12                                                 
CONECT   15   16   13   60   61                                       
CONECT   16   15   17   62   63                                       
CONECT   17   16   18   18   64                                       
CONECT   18   17   17   19   65                                       
CONECT   19   18    5    5   66                                       
CONECT   20    1   28   21   21                                       
CONECT   21   20   20                                                 
CONECT   22    1   67   68   69                                       
CONECT   23    3   70   71   72                                       
CONECT   24   26    4                                                 
CONECT   25   27    2                                                 
CONECT   26   24   73   74   75                                       
CONECT   27   25   76   77   78                                       
CONECT   28   20   29   79                                            
CONECT   29   30   28   32   80                                       
CONECT   30   31   31   46   29                                       
CONECT   31   30   30                                                 
CONECT   32   29   33   34   81                                       
CONECT   33   32   82   83   84                                       
CONECT   34   32   85   86   87                                       
CONECT   35    9   36   37   37                                       
CONECT   36   38   35   46   88                                       
CONECT   37   35   35                                                 
CONECT   38   39   36   89   90                                       
CONECT   39   40   40   44   38                                       
CONECT   40   41   39   39   91                                       
CONECT   41   42   42   40   92                                       
CONECT   42   41   41   43   93                                       
CONECT   43   42   45   44   44                                       
CONECT   44   43   43   39   94                                       
CONECT   45   43   95                                                 
CONECT   46   36   30   96                                            
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   27                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   34                                                      
CONECT   87   34                                                      
CONECT   88   36                                                      
CONECT   89   38                                                      
CONECT   90   38                                                      
CONECT   91   40                                                      
CONECT   92   41                                                      
CONECT   93   42                                                      
CONECT   94   44                                                      
CONECT   95   45                                                      
CONECT   96   46                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
