COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.993   1.103   2.216  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.231   1.677   0.978  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.095   3.045   0.831  1.00  0.00           C  
HETATM    4  C   UNL     1       0.073  -3.387   0.324  1.00  0.00           C  
HETATM    5  C   UNL     1       2.018   0.525  -2.636  1.00  0.00           C  
HETATM    6  C   UNL     1       4.165   1.620  -0.543  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.742   3.804   1.850  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.627   1.933   3.271  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.505   3.296   3.044  1.00  0.00           C  
HETATM   10  C   UNL     1       0.039  -4.912   0.449  1.00  0.00           C  
HETATM   11  C   UNL     1       0.518   0.277  -2.811  1.00  0.00           C  
HETATM   12  C   UNL     1       5.663   1.883  -0.711  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.105   4.208   4.175  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.337  -5.291   1.884  1.00  0.00           C  
HETATM   15  C   UNL     1       0.220  -1.211  -2.615  1.00  0.00           C  
HETATM   16  C   UNL     1       6.450   0.846   0.097  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.683  -4.649   2.234  1.00  0.00           C  
HETATM   18  C   UNL     1       0.647  -1.636  -1.209  1.00  0.00           C  
HETATM   19  C   UNL     1       6.008   0.914   1.562  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.131  -0.384   2.416  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.582  -3.134   2.041  1.00  0.00           C  
HETATM   22  C   UNL     1       2.147  -1.389  -1.035  1.00  0.00           C  
HETATM   23  C   UNL     1       4.496   0.689   1.642  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.635   0.821  -0.195  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.940  -2.491   2.331  1.00  0.00           C  
HETATM   26  C   UNL     1       2.444   0.099  -1.230  1.00  0.00           C  
HETATM   27  C   UNL     1       6.730  -0.170   2.364  1.00  0.00           C  
HETATM   28  C   UNL     1       8.466   0.538  -1.209  1.00  0.00           C  
HETATM   29  N   UNL     1       2.304   1.953  -2.824  1.00  0.00           N  
HETATM   30  N   UNL     1      -0.959  -5.458  -0.481  1.00  0.00           N  
HETATM   31  N   UNL     1      -1.220  -1.448  -2.783  1.00  0.00           N  
HETATM   32  N   UNL     1       7.887   1.135   0.002  1.00  0.00           N  
HETATM   33  N   UNL     1      -2.843  -1.037   2.145  1.00  0.00           N  
HETATM   34  O   UNL     1       0.368  -3.026  -1.027  1.00  0.00           O  
HETATM   35  O   UNL     1      -5.242   2.252  -3.870  1.00  0.00           O  
HETATM   36  O   UNL     1       6.015   1.779  -2.092  1.00  0.00           O  
HETATM   37  O   UNL     1      -6.738   0.445  -2.683  1.00  0.00           O  
HETATM   38  O   UNL     1      -3.388   1.416   4.504  1.00  0.00           O  
HETATM   39  O   UNL     1      -4.306   0.007  -3.194  1.00  0.00           O  
HETATM   40  O   UNL     1       6.329   2.199   2.098  1.00  0.00           O  
HETATM   41  O   UNL     1      -4.820   1.647  -1.346  1.00  0.00           O  
HETATM   42  O   UNL     1      -1.199  -2.851   0.693  1.00  0.00           O  
HETATM   43  O   UNL     1       2.545  -1.786   0.279  1.00  0.00           O  
HETATM   44  O   UNL     1       3.827   1.668   0.845  1.00  0.00           O  
HETATM   45  O   UNL     1       3.845   0.330  -1.067  1.00  0.00           O  
HETATM   46  P   UNL     1      -5.256   1.064  -2.783  1.00  0.00           P  
HETATM   47  H   UNL     1      -4.279   3.499  -0.132  1.00  0.00           H  
HETATM   48  H   UNL     1       0.842  -2.985   0.984  1.00  0.00           H  
HETATM   49  H   UNL     1       2.570  -0.057  -3.375  1.00  0.00           H  
HETATM   50  H   UNL     1       3.600   2.381  -1.081  1.00  0.00           H  
HETATM   51  H   UNL     1       1.021  -5.319   0.209  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.034   0.859  -2.072  1.00  0.00           H  
HETATM   53  H   UNL     1       0.214   0.580  -3.813  1.00  0.00           H  
HETATM   54  H   UNL     1       5.901   2.884  -0.349  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.997   4.553   4.697  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.465   3.664   4.870  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.562   5.065   3.776  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.418  -6.375   1.966  1.00  0.00           H  
HETATM   59  H   UNL     1       0.430  -4.930   2.569  1.00  0.00           H  
HETATM   60  H   UNL     1       0.772  -1.792  -3.354  1.00  0.00           H  
HETATM   61  H   UNL     1       6.252  -0.151  -0.299  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.458  -5.049   1.581  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.932  -4.869   3.273  1.00  0.00           H  
HETATM   64  H   UNL     1       0.094  -1.055  -0.470  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.431  -0.586   3.444  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.886  -0.774   1.734  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.835  -2.729   2.724  1.00  0.00           H  
HETATM   68  H   UNL     1       2.699  -1.970  -1.773  1.00  0.00           H  
HETATM   69  H   UNL     1       4.257  -0.308   1.271  1.00  0.00           H  
HETATM   70  H   UNL     1       4.170   0.779   2.678  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.854   0.088  -0.396  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.567   0.305   0.036  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.687  -2.895   1.648  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.232  -2.707   3.359  1.00  0.00           H  
HETATM   75  H   UNL     1       1.892   0.680  -0.491  1.00  0.00           H  
HETATM   76  H   UNL     1       7.807  -0.012   2.302  1.00  0.00           H  
HETATM   77  H   UNL     1       6.415  -0.121   3.407  1.00  0.00           H  
HETATM   78  H   UNL     1       6.482  -1.150   1.956  1.00  0.00           H  
HETATM   79  H   UNL     1       9.530   0.768  -1.254  1.00  0.00           H  
HETATM   80  H   UNL     1       8.328  -0.543  -1.182  1.00  0.00           H  
HETATM   81  H   UNL     1       7.968   0.946  -2.089  1.00  0.00           H  
HETATM   82  H   UNL     1       2.030   2.259  -3.746  1.00  0.00           H  
HETATM   83  H   UNL     1       1.855   2.508  -2.111  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.000  -6.464  -0.417  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.867  -5.048  -0.318  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.527  -1.175  -3.704  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.452  -2.412  -2.595  1.00  0.00           H  
HETATM   88  H   UNL     1       8.058   2.129   0.032  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.511  -0.812   1.219  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.494   1.972  -4.761  1.00  0.00           H  
HETATM   91  H   UNL     1       5.550   2.405  -2.664  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.414   1.083  -2.418  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.468   1.158   4.651  1.00  0.00           H  
HETATM   94  H   UNL     1       6.076   2.313   3.024  1.00  0.00           H  
HETATM   95  H   UNL     1       3.500  -1.751   0.427  1.00  0.00           H  
CONECT    1    2    2    8   20                                       
CONECT    2    3   24    1    1                                       
CONECT    3    7    7    2   47                                       
CONECT    4   42   10   34   48                                       
CONECT    5   26   11   29   49                                       
CONECT    6   44   12   45   50                                       
CONECT    7    3    3    9                                            
CONECT    8    9    9    1   38                                       
CONECT    9    7   13    8    8                                       
CONECT   10    4   30   14   51                                       
CONECT   11   15    5   52   53                                       
CONECT   12    6   16   36   54                                       
CONECT   13    9   55   56   57                                       
CONECT   14   10   17   58   59                                       
CONECT   15   18   31   11   60                                       
CONECT   16   19   32   12   61                                       
CONECT   17   21   14   62   63                                       
CONECT   18   22   34   15   64                                       
CONECT   19   40   23   27   16                                       
CONECT   20    1   33   65   66                                       
CONECT   21   25   42   17   67                                       
CONECT   22   43   18   26   68                                       
CONECT   23   44   19   69   70                                       
CONECT   24   41    2   71   72                                       
CONECT   25   33   21   73   74                                       
CONECT   26   22   45    5   75                                       
CONECT   27   19   76   77   78                                       
CONECT   28   32   79   80   81                                       
CONECT   29    5   82   83                                            
CONECT   30   10   84   85                                            
CONECT   31   15   86   87                                            
CONECT   32   16   28   88                                            
CONECT   33   20   25   89                                            
CONECT   34    4   18                                                 
CONECT   35   46   90                                                 
CONECT   36   12   91                                                 
CONECT   37   46   92                                                 
CONECT   38    8   93                                                 
CONECT   39   46   46                                                 
CONECT   40   19   94                                                 
CONECT   41   46   24                                                 
CONECT   42   21    4                                                 
CONECT   43   22   95                                                 
CONECT   44   23    6                                                 
CONECT   45    6   26                                                 
CONECT   46   39   39   41   37                                       
CONECT   46   35                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   27                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   28                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   30                                                      
CONECT   86   31                                                      
CONECT   87   31                                                      
CONECT   88   32                                                      
CONECT   89   33                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   37                                                      
CONECT   93   38                                                      
CONECT   94   40                                                      
CONECT   95   43                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
