COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      14.329  -4.771  -1.060  1.00  0.00           C  
HETATM    2  C   UNL     1      13.035  -4.579  -0.267  1.00  0.00           C  
HETATM    3  C   UNL     1      12.309  -3.329  -0.769  1.00  0.00           C  
HETATM    4  C   UNL     1      11.035  -3.141   0.013  1.00  0.00           C  
HETATM    5  O   UNL     1      10.736  -3.928   0.885  1.00  0.00           O  
HETATM    6  N   UNL     1      10.227  -2.096  -0.258  1.00  0.00           N  
HETATM    7  C   UNL     1       8.987  -1.913   0.502  1.00  0.00           C  
HETATM    8  C   UNL     1       8.262  -0.663   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       6.968  -0.472   0.793  1.00  0.00           C  
HETATM   10  C   UNL     1       6.242   0.779   0.291  1.00  0.00           C  
HETATM   11  C   UNL     1       4.948   0.970   1.084  1.00  0.00           C  
HETATM   12  C   UNL     1       4.233   2.201   0.590  1.00  0.00           C  
HETATM   13  O   UNL     1       4.712   2.861  -0.308  1.00  0.00           O  
HETATM   14  N   UNL     1       3.062   2.569   1.146  1.00  0.00           N  
HETATM   15  C   UNL     1       2.367   3.766   0.666  1.00  0.00           C  
HETATM   16  C   UNL     1       1.508   3.406  -0.549  1.00  0.00           C  
HETATM   17  O   UNL     1       0.586   2.375  -0.191  1.00  0.00           O  
HETATM   18  P   UNL     1       0.043   1.282  -1.241  1.00  0.00           P  
HETATM   19  O   UNL     1       1.190   0.594  -1.874  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.835   2.015  -2.374  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.870   0.203  -0.468  1.00  0.00           O  
HETATM   22  P   UNL     1      -1.355  -1.295  -0.802  1.00  0.00           P  
HETATM   23  O   UNL     1      -1.702  -1.393  -2.238  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.169  -2.330  -0.465  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.648  -1.652   0.088  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.377  -2.872  -0.053  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.541  -2.888   0.940  1.00  0.00           C  
HETATM   28  O   UNL     1      -5.496  -1.872   0.591  1.00  0.00           O  
HETATM   29  C   UNL     1      -6.802  -2.386   0.931  1.00  0.00           C  
HETATM   30  N   UNL     1      -7.844  -1.682   0.180  1.00  0.00           N  
HETATM   31  C   UNL     1      -7.766  -1.609  -1.184  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.727  -0.961  -1.876  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.801  -0.367  -1.170  1.00  0.00           C  
HETATM   34  O   UNL     1     -10.680   0.223  -1.772  1.00  0.00           O  
HETATM   35  N   UNL     1      -9.842  -0.461   0.174  1.00  0.00           N  
HETATM   36  C   UNL     1      -8.873  -1.118   0.838  1.00  0.00           C  
HETATM   37  O   UNL     1      -8.926  -1.199   2.050  1.00  0.00           O  
HETATM   38  C   UNL     1      -6.727  -3.874   0.503  1.00  0.00           C  
HETATM   39  O   UNL     1      -7.657  -4.665   1.245  1.00  0.00           O  
HETATM   40  C   UNL     1      -5.270  -4.245   0.871  1.00  0.00           C  
HETATM   41  O   UNL     1      -5.226  -4.901   2.140  1.00  0.00           O  
HETATM   42  O   UNL     1       0.787   4.562  -0.980  1.00  0.00           O  
HETATM   43  C   UNL     1      -0.108   5.091   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.842   6.302  -0.579  1.00  0.00           C  
HETATM   45  O   UNL     1      -1.673   5.882  -1.663  1.00  0.00           O  
HETATM   46  C   UNL     1       0.686   5.518   1.237  1.00  0.00           C  
HETATM   47  O   UNL     1      -0.213   5.995   2.241  1.00  0.00           O  
HETATM   48  C   UNL     1       1.465   4.314   1.776  1.00  0.00           C  
HETATM   49  O   UNL     1       2.266   4.722   2.886  1.00  0.00           O  
HETATM   50  H   UNL     1      14.846  -5.661  -0.703  1.00  0.00           H  
HETATM   51  H   UNL     1      14.093  -4.887  -2.118  1.00  0.00           H  
HETATM   52  H   UNL     1      14.970  -3.899  -0.925  1.00  0.00           H  
HETATM   53  H   UNL     1      12.394  -5.450  -0.402  1.00  0.00           H  
HETATM   54  H   UNL     1      13.271  -4.462   0.791  1.00  0.00           H  
HETATM   55  H   UNL     1      12.951  -2.458  -0.634  1.00  0.00           H  
HETATM   56  H   UNL     1      12.073  -3.446  -1.827  1.00  0.00           H  
HETATM   57  H   UNL     1      10.466  -1.466  -0.956  1.00  0.00           H  
HETATM   58  H   UNL     1       8.346  -2.784   0.366  1.00  0.00           H  
HETATM   59  H   UNL     1       9.224  -1.796   1.559  1.00  0.00           H  
HETATM   60  H   UNL     1       8.903   0.208   0.135  1.00  0.00           H  
HETATM   61  H   UNL     1       8.026  -0.780  -1.058  1.00  0.00           H  
HETATM   62  H   UNL     1       6.326  -1.343   0.658  1.00  0.00           H  
HETATM   63  H   UNL     1       7.204  -0.355   1.851  1.00  0.00           H  
HETATM   64  H   UNL     1       6.883   1.650   0.426  1.00  0.00           H  
HETATM   65  H   UNL     1       6.006   0.662  -0.766  1.00  0.00           H  
HETATM   66  H   UNL     1       4.307   0.099   0.949  1.00  0.00           H  
HETATM   67  H   UNL     1       5.184   1.087   2.142  1.00  0.00           H  
HETATM   68  H   UNL     1       2.679   2.042   1.865  1.00  0.00           H  
HETATM   69  H   UNL     1       3.099   4.523   0.383  1.00  0.00           H  
HETATM   70  H   UNL     1       2.150   3.056  -1.357  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.606   2.487  -2.030  1.00  0.00           H  
HETATM   72  H   UNL     1       0.111  -2.320   0.461  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.766  -2.948  -1.069  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.717  -3.716   0.147  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.169  -2.716   1.950  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.980  -2.303   2.003  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.938  -2.068  -1.705  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.677  -0.895  -2.953  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.575  -0.057   0.664  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.897  -3.980  -0.568  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.587  -5.615   1.079  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.831  -4.877   0.100  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.719  -5.733   2.170  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.833   4.326   0.280  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.458   6.758   0.196  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.115   7.029  -0.940  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.170   6.600  -2.079  1.00  0.00           H  
HETATM   88  H   UNL     1       1.383   6.312   0.966  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.743   6.755   1.965  1.00  0.00           H  
HETATM   90  H   UNL     1       0.766   3.540   2.093  1.00  0.00           H  
HETATM   91  H   UNL     1       1.759   5.086   3.625  1.00  0.00           H  
CONECT    1    2   50   51   52                                       
CONECT    2    3    1   53   54                                       
CONECT    3    4    2   55   56                                       
CONECT    4    6    5    5    3                                       
CONECT    5    4    4                                                 
CONECT    6    7    4   57                                            
CONECT    7    8    6   58   59                                       
CONECT    8    9    7   60   61                                       
CONECT    9   10    8   62   63                                       
CONECT   10   11    9   64   65                                       
CONECT   11   10   12   66   67                                       
CONECT   12   11   14   13   13                                       
CONECT   13   12   12                                                 
CONECT   14   15   12   68                                            
CONECT   15   48   14   16   69                                       
CONECT   16   17   15   42   70                                       
CONECT   17   18   16                                                 
CONECT   18   19   19   20   17                                       
CONECT   18   21                                                      
CONECT   19   18   18                                                 
CONECT   20   18   71                                                 
CONECT   21   18   22                                                 
CONECT   22   25   21   23   23                                       
CONECT   22   24                                                      
CONECT   23   22   22                                                 
CONECT   24   22   72                                                 
CONECT   25   26   22                                                 
CONECT   26   25   27   73   74                                       
CONECT   27   40   26   28   75                                       
CONECT   28   29   27                                                 
CONECT   29   38   30   28   76                                       
CONECT   30   31   29   36                                            
CONECT   31   32   32   30   77                                       
CONECT   32   31   31   33   78                                       
CONECT   33   32   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   79                                            
CONECT   36   30   35   37   37                                       
CONECT   37   36   36                                                 
CONECT   38   39   40   29   80                                       
CONECT   39   38   81                                                 
CONECT   40   38   41   27   82                                       
CONECT   41   40   83                                                 
CONECT   42   43   16                                                 
CONECT   43   46   42   44   84                                       
CONECT   44   43   45   85   86                                       
CONECT   45   44   87                                                 
CONECT   46   47   48   43   88                                       
CONECT   47   46   89                                                 
CONECT   48   49   46   15   90                                       
CONECT   49   48   91                                                 
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    2                                                      
CONECT   55    3                                                      
CONECT   56    3                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   11                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   16                                                      
CONECT   71   20                                                      
CONECT   72   24                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   29                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   35                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   40                                                      
CONECT   83   41                                                      
CONECT   84   43                                                      
CONECT   85   44                                                      
CONECT   86   44                                                      
CONECT   87   45                                                      
CONECT   88   46                                                      
CONECT   89   47                                                      
CONECT   90   48                                                      
CONECT   91   49                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
