COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.826   4.191   1.019  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.678  -3.530  -1.391  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.492  -3.921  -2.275  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.269   0.872  -2.362  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.150  -3.581  -1.840  1.00  0.00           C  
HETATM    6  N   UNL     1      -7.052  -1.674   1.156  1.00  0.00           N  
HETATM    7  C   UNL     1       1.098  -3.768  -1.016  1.00  0.00           C  
HETATM    8  C   UNL     1       0.735  -3.780   0.470  1.00  0.00           C  
HETATM    9  N   UNL     1      -5.013  -0.537   0.687  1.00  0.00           N  
HETATM   10  C   UNL     1       1.994  -4.034   1.301  1.00  0.00           C  
HETATM   11  C   UNL     1       1.631  -4.045   2.787  1.00  0.00           C  
HETATM   12  C   UNL     1       2.891  -4.299   3.618  1.00  0.00           C  
HETATM   13  C   UNL     1       2.193  -1.739  -0.298  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.314  -4.153  -1.409  1.00  0.00           N  
HETATM   15  C   UNL     1       3.123  -0.575  -0.522  1.00  0.00           C  
HETATM   16  C   UNL     1       4.549  -1.089  -0.733  1.00  0.00           C  
HETATM   17  C   UNL     1       5.467   0.083  -1.082  1.00  0.00           C  
HETATM   18  N   UNL     1       2.542  -4.310   5.045  1.00  0.00           N  
HETATM   19  N   UNL     1      -5.420  -1.433   2.787  1.00  0.00           N  
HETATM   20  C   UNL     1      -5.821  -1.218   1.566  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.122  -2.933  -2.865  1.00  0.00           O  
HETATM   22  C   UNL     1      -5.464  -0.295  -0.686  1.00  0.00           C  
HETATM   23  C   UNL     1       6.893  -0.431  -1.293  1.00  0.00           C  
HETATM   24  C   UNL     1       7.812   0.741  -1.643  1.00  0.00           C  
HETATM   25  C   UNL     1       2.796   1.616   0.421  1.00  0.00           C  
HETATM   26  C   UNL     1       2.735   2.576   1.580  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.159  -1.523  -1.546  1.00  0.00           C  
HETATM   28  C   UNL     1       2.072   3.856   1.140  1.00  0.00           C  
HETATM   29  C   UNL     1       2.841   4.913   0.690  1.00  0.00           C  
HETATM   30  C   UNL     1       2.233   6.086   0.284  1.00  0.00           C  
HETATM   31  C   UNL     1       0.856   6.203   0.333  1.00  0.00           C  
HETATM   32  C   UNL     1       0.087   5.146   0.784  1.00  0.00           C  
HETATM   33  C   UNL     1       0.696   3.972   1.186  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.412   5.274   0.836  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.254   3.972  -0.027  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.917   3.158  -1.107  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.745   0.904  -1.247  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.737  -2.007  -1.258  1.00  0.00           C  
HETATM   39  N   UNL     1       2.024  -2.652  -1.294  1.00  0.00           N  
HETATM   40  N   UNL     1       9.180   0.247  -1.845  1.00  0.00           N  
HETATM   41  N   UNL     1       3.078   0.302   0.671  1.00  0.00           N  
HETATM   42  N   UNL     1      -2.000   4.459  -0.245  1.00  0.00           N  
HETATM   43  N   UNL     1      -4.638   2.028  -0.477  1.00  0.00           N  
HETATM   44  O   UNL     1       1.603  -1.861   0.754  1.00  0.00           O  
HETATM   45  O   UNL     1       2.599   2.001  -0.712  1.00  0.00           O  
HETATM   46  H   UNL     1      -4.603  -3.891  -1.842  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.558  -3.977  -0.403  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.729  -4.832  -2.823  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.280  -3.115  -2.978  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.622  -2.155   1.776  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.351  -1.514   0.247  1.00  0.00           H  
HETATM   52  H   UNL     1       1.573  -4.712  -1.283  1.00  0.00           H  
HETATM   53  H   UNL     1       0.306  -2.817   0.746  1.00  0.00           H  
HETATM   54  H   UNL     1       0.009  -4.570   0.660  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.145  -0.215   0.975  1.00  0.00           H  
HETATM   56  H   UNL     1       2.424  -4.997   1.024  1.00  0.00           H  
HETATM   57  H   UNL     1       2.721  -3.244   1.110  1.00  0.00           H  
HETATM   58  H   UNL     1       1.202  -3.082   3.063  1.00  0.00           H  
HETATM   59  H   UNL     1       0.905  -4.835   2.977  1.00  0.00           H  
HETATM   60  H   UNL     1       3.320  -5.262   3.341  1.00  0.00           H  
HETATM   61  H   UNL     1       3.617  -3.509   3.427  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.364  -4.676  -0.594  1.00  0.00           H  
HETATM   63  H   UNL     1       2.803  -0.014  -1.400  1.00  0.00           H  
HETATM   64  H   UNL     1       4.901  -1.567   0.182  1.00  0.00           H  
HETATM   65  H   UNL     1       4.557  -1.813  -1.547  1.00  0.00           H  
HETATM   66  H   UNL     1       5.115   0.561  -1.996  1.00  0.00           H  
HETATM   67  H   UNL     1       5.459   0.807  -0.268  1.00  0.00           H  
HETATM   68  H   UNL     1       1.822  -4.991   5.236  1.00  0.00           H  
HETATM   69  H   UNL     1       3.358  -4.476   5.615  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.990  -1.914   3.407  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.538  -0.108  -0.688  1.00  0.00           H  
HETATM   72  H   UNL     1       7.246  -0.909  -0.379  1.00  0.00           H  
HETATM   73  H   UNL     1       6.901  -1.155  -2.108  1.00  0.00           H  
HETATM   74  H   UNL     1       7.459   1.219  -2.557  1.00  0.00           H  
HETATM   75  H   UNL     1       7.803   1.465  -0.828  1.00  0.00           H  
HETATM   76  H   UNL     1       2.159   2.129   2.391  1.00  0.00           H  
HETATM   77  H   UNL     1       3.745   2.790   1.928  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.867  -2.317  -1.311  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.246  -1.259  -2.600  1.00  0.00           H  
HETATM   80  H   UNL     1       3.916   4.823   0.655  1.00  0.00           H  
HETATM   81  H   UNL     1       2.833   6.911  -0.071  1.00  0.00           H  
HETATM   82  H   UNL     1       0.381   7.121   0.019  1.00  0.00           H  
HETATM   83  H   UNL     1       0.096   3.145   1.536  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.776   4.918   1.800  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.695   6.318   0.701  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.623   3.782  -1.654  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.161   2.773  -1.791  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.453  -1.720  -0.246  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.047  -1.554  -1.971  1.00  0.00           H  
HETATM   90  H   UNL     1       2.489  -2.574  -2.142  1.00  0.00           H  
HETATM   91  H   UNL     1       9.807   1.003  -2.078  1.00  0.00           H  
HETATM   92  H   UNL     1       9.506  -0.256  -1.034  1.00  0.00           H  
HETATM   93  H   UNL     1       3.238  -0.033   1.567  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.519   4.280  -1.069  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.008   2.081   0.418  1.00  0.00           H  
CONECT    1   35   35                                                 
CONECT    2   38    3   46   47                                       
CONECT    3   14    2   48   49                                       
CONECT    4   37   37                                                 
CONECT    5    7   21   21   14                                       
CONECT    6   20   50   51                                            
CONECT    7    8   39    5   52                                       
CONECT    8   10    7   53   54                                       
CONECT    9   22   20   55                                            
CONECT   10   11    8   56   57                                       
CONECT   11   12   10   58   59                                       
CONECT   12   18   11   60   61                                       
CONECT   13   15   39   44   44                                       
CONECT   14    5    3   62                                            
CONECT   15   41   16   13   63                                       
CONECT   16   17   15   64   65                                       
CONECT   17   23   16   66   67                                       
CONECT   18   12   68   69                                            
CONECT   19   20   20   70                                            
CONECT   20   19   19    9    6                                       
CONECT   21    5    5                                                 
CONECT   22   37    9   27   71                                       
CONECT   23   24   17   72   73                                       
CONECT   24   40   23   74   75                                       
CONECT   25   26   41   45   45                                       
CONECT   26   28   25   76   77                                       
CONECT   27   22   38   78   79                                       
CONECT   28   26   29   33   33                                       
CONECT   29   30   30   28   80                                       
CONECT   30   29   29   31   81                                       
CONECT   31   30   32   32   82                                       
CONECT   32   33   31   31   34                                       
CONECT   33   28   28   32   83                                       
CONECT   34   32   42   84   85                                       
CONECT   35    1    1   42   36                                       
CONECT   36   35   43   86   87                                       
CONECT   37    4    4   43   22                                       
CONECT   38   27    2   88   89                                       
CONECT   39    7   13   90                                            
CONECT   40   24   91   92                                            
CONECT   41   25   15   93                                            
CONECT   42   34   35   94                                            
CONECT   43   36   37   95                                            
CONECT   44   13   13                                                 
CONECT   45   25   25                                                 
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   34                                                      
CONECT   86   36                                                      
CONECT   87   36                                                      
CONECT   88   38                                                      
CONECT   89   38                                                      
CONECT   90   39                                                      
CONECT   91   40                                                      
CONECT   92   40                                                      
CONECT   93   41                                                      
CONECT   94   42                                                      
CONECT   95   43                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
