COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.384  -0.275  -0.752  1.00  0.00           N  
HETATM    2  C   UNL     1       2.010  -0.881  -0.895  1.00  0.00           C  
HETATM    3  O   UNL     1       1.018   0.374   0.840  1.00  0.00           O  
HETATM    4  C   UNL     1       0.847  -0.216  -0.206  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.614   1.852   0.187  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.629   1.789  -0.339  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.403   2.506   0.230  1.00  0.00           C  
HETATM    8  C   UNL     1       1.918  -2.396  -0.702  1.00  0.00           C  
HETATM    9  C   UNL     1       3.109  -3.071  -1.386  1.00  0.00           C  
HETATM   10  C   UNL     1       4.352  -0.242  -1.101  1.00  0.00           C  
HETATM   11  C   UNL     1       6.660   0.253  -1.456  1.00  0.00           C  
HETATM   12  C   UNL     1       1.029  -3.739   1.074  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.407  -3.286   0.804  1.00  0.00           C  
HETATM   14  C   UNL     1       1.197  -4.042   2.564  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.530   0.292  -0.038  1.00  0.00           C  
HETATM   16  C   UNL     1       1.328  -4.999   0.260  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.412   2.398   1.756  1.00  0.00           C  
HETATM   18  C   UNL     1       0.814   3.115   2.325  1.00  0.00           C  
HETATM   19  C   UNL     1       0.778   4.589   1.917  1.00  0.00           C  
HETATM   20  C   UNL     1       0.787   4.696   0.391  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.439   3.980  -0.178  1.00  0.00           C  
HETATM   22  C   UNL     1       7.884   0.648  -0.671  1.00  0.00           C  
HETATM   23  C   UNL     1       8.170   1.985  -0.463  1.00  0.00           C  
HETATM   24  C   UNL     1       9.290   2.347   0.261  1.00  0.00           C  
HETATM   25  C   UNL     1      10.123   1.373   0.779  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.793  -0.396  -0.488  1.00  0.00           C  
HETATM   27  C   UNL     1       9.837   0.037   0.572  1.00  0.00           C  
HETATM   28  C   UNL     1       8.717  -0.326  -0.154  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.634  -2.504   1.200  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.211  -3.869   1.578  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.476  -1.887   0.112  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.034  -0.026  -1.358  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.164   0.700  -0.624  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.123   1.371  -1.634  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.496   2.675  -0.895  1.00  0.00           C  
HETATM   36  N   UNL     1      -3.981  -0.035   0.037  1.00  0.00           N  
HETATM   37  N   UNL     1      -7.378   2.944   0.016  1.00  0.00           N  
HETATM   38  N   UNL     1       3.264  -0.391  -0.319  1.00  0.00           N  
HETATM   39  N   UNL     1      -5.155  -0.675  -0.382  1.00  0.00           N  
HETATM   40  O   UNL     1      -2.741  -1.273  -1.324  1.00  0.00           O  
HETATM   41  O   UNL     1      -6.442  -2.481  -0.317  1.00  0.00           O  
HETATM   42  O   UNL     1      -5.629   1.797   0.893  1.00  0.00           O  
HETATM   43  O   UNL     1       1.935  -2.701   0.694  1.00  0.00           O  
HETATM   44  O   UNL     1       5.531   0.110  -0.554  1.00  0.00           O  
HETATM   45  O   UNL     1       4.268  -0.424  -2.299  1.00  0.00           O  
HETATM   46  H   UNL     1      -0.510  -0.690  -1.619  1.00  0.00           H  
HETATM   47  H   UNL     1       1.983  -0.648  -1.959  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.532   2.193   0.120  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.671   1.940  -1.417  1.00  0.00           H  
HETATM   50  H   UNL     1       0.503   2.042  -0.161  1.00  0.00           H  
HETATM   51  H   UNL     1       0.990  -2.763  -1.142  1.00  0.00           H  
HETATM   52  H   UNL     1       4.029  -2.787  -0.876  1.00  0.00           H  
HETATM   53  H   UNL     1       2.988  -4.153  -1.342  1.00  0.00           H  
HETATM   54  H   UNL     1       3.157  -2.753  -2.428  1.00  0.00           H  
HETATM   55  H   UNL     1       6.438   1.023  -2.196  1.00  0.00           H  
HETATM   56  H   UNL     1       6.843  -0.695  -1.962  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.102  -4.025   1.202  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.582  -2.325   1.288  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.560  -3.184  -0.270  1.00  0.00           H  
HETATM   60  H   UNL     1       2.220  -4.364   2.756  1.00  0.00           H  
HETATM   61  H   UNL     1       0.984  -3.144   3.144  1.00  0.00           H  
HETATM   62  H   UNL     1       0.506  -4.833   2.854  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.400   0.145   1.035  1.00  0.00           H  
HETATM   64  H   UNL     1       1.115  -4.812  -0.792  1.00  0.00           H  
HETATM   65  H   UNL     1       2.378  -5.267   0.376  1.00  0.00           H  
HETATM   66  H   UNL     1       0.703  -5.818   0.617  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.318   2.862   2.148  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.386   1.348   2.047  1.00  0.00           H  
HETATM   69  H   UNL     1       0.808   3.039   3.412  1.00  0.00           H  
HETATM   70  H   UNL     1       1.720   2.652   1.934  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.128   5.053   2.309  1.00  0.00           H  
HETATM   72  H   UNL     1       1.652   5.100   2.323  1.00  0.00           H  
HETATM   73  H   UNL     1       0.761   5.747   0.100  1.00  0.00           H  
HETATM   74  H   UNL     1       1.693   4.233   0.000  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.433   4.056  -1.265  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.345   4.443   0.214  1.00  0.00           H  
HETATM   77  H   UNL     1       7.519   2.746  -0.868  1.00  0.00           H  
HETATM   78  H   UNL     1       9.514   3.391   0.423  1.00  0.00           H  
HETATM   79  H   UNL     1      10.999   1.656   1.344  1.00  0.00           H  
HETATM   80  H   UNL     1      10.488  -0.724   0.976  1.00  0.00           H  
HETATM   81  H   UNL     1       8.491  -1.370  -0.312  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.637  -1.853   2.074  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.612  -2.628   0.842  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.602  -4.316   2.364  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.233  -3.746   1.936  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.209  -4.520   0.703  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.458  -0.779  -2.023  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.460   0.693  -1.942  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.707   0.007   0.018  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.608   1.587  -2.571  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.005   0.755  -1.808  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.611   3.493  -1.607  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.416   2.537  -0.328  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.023   0.666   0.705  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.209   3.802   0.437  1.00  0.00           H  
HETATM   96  H   UNL     1       3.312  -0.174   0.626  1.00  0.00           H  
CONECT    1   15    4   46                                            
CONECT    2    8    4   38   47                                       
CONECT    3    4    4                                                 
CONECT    4    2    1    3    3                                       
CONECT    5   33   37   42   42                                       
CONECT    6    7   15   48   49                                       
CONECT    7   17    6   21   50                                       
CONECT    8   43    9    2   51                                       
CONECT    9    8   52   53   54                                       
CONECT   10   45   45   38   44                                       
CONECT   11   22   44   55   56                                       
CONECT   12   13   14   43   16                                       
CONECT   13   12   57   58   59                                       
CONECT   14   12   60   61   62                                       
CONECT   15    6    1   26   63                                       
CONECT   16   12   64   65   66                                       
CONECT   17   18    7   67   68                                       
CONECT   18   17   19   69   70                                       
CONECT   19   18   20   71   72                                       
CONECT   20   19   21   73   74                                       
CONECT   21    7   20   75   76                                       
CONECT   22   23   23   28   11                                       
CONECT   23   24   22   22   77                                       
CONECT   24   25   25   23   78                                       
CONECT   25   24   24   27   79                                       
CONECT   26   40   40   15   36                                       
CONECT   27   25   28   28   80                                       
CONECT   28   27   27   22   81                                       
CONECT   29   31   30   82   83                                       
CONECT   30   29   84   85   86                                       
CONECT   31   29   41   41   39                                       
CONECT   32   39   33   87   88                                       
CONECT   33   34   32    5   89                                       
CONECT   34   35   33   90   91                                       
CONECT   35   34   37   92   93                                       
CONECT   36   26   39   94                                            
CONECT   37   35    5   95                                            
CONECT   38    2   10   96                                            
CONECT   39   31   36   32                                            
CONECT   40   26   26                                                 
CONECT   41   31   31                                                 
CONECT   42    5    5                                                 
CONECT   43   12    8                                                 
CONECT   44   10   11                                                 
CONECT   45   10   10                                                 
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   19                                                      
CONECT   73   20                                                      
CONECT   74   20                                                      
CONECT   75   21                                                      
CONECT   76   21                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   30                                                      
CONECT   86   30                                                      
CONECT   87   32                                                      
CONECT   88   32                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   34                                                      
CONECT   92   35                                                      
CONECT   93   35                                                      
CONECT   94   36                                                      
CONECT   95   37                                                      
CONECT   96   38                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
