COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       3.373  -5.559  -1.648  1.00  0.00           P  
HETATM    2  N   UNL     1      -6.553  -1.852   1.213  1.00  0.00           N  
HETATM    3  C   UNL     1      -6.319  -2.975   1.916  1.00  0.00           C  
HETATM    4  O   UNL     1      -5.762  -3.913   1.379  1.00  0.00           O  
HETATM    5  C   UNL     1       6.668  -0.898   1.130  1.00  0.00           C  
HETATM    6  N   UNL     1      -6.693  -3.074   3.205  1.00  0.00           N  
HETATM    7  O   UNL     1       6.723   0.359   1.638  1.00  0.00           O  
HETATM    8  C   UNL     1      -7.311  -2.043   3.815  1.00  0.00           C  
HETATM    9  O   UNL     1      -7.649  -2.132   4.982  1.00  0.00           O  
HETATM   10  C   UNL     1      -7.563  -0.855   3.087  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.173  -0.781   1.796  1.00  0.00           C  
HETATM   12  P   UNL     1      -2.869   2.707  -2.092  1.00  0.00           P  
HETATM   13  P   UNL     1      -0.226   3.666  -1.155  1.00  0.00           P  
HETATM   14  O   UNL     1       0.681   2.314   4.679  1.00  0.00           O  
HETATM   15  O   UNL     1       1.186   4.379   4.076  1.00  0.00           O  
HETATM   16  C   UNL     1       2.067   3.603   0.215  1.00  0.00           C  
HETATM   17  N   UNL     1       7.743  -2.935   0.651  1.00  0.00           N  
HETATM   18  O   UNL     1      -3.567   3.753  -1.312  1.00  0.00           O  
HETATM   19  O   UNL     1       0.353   4.402  -2.465  1.00  0.00           O  
HETATM   20  C   UNL     1      -6.135  -1.773  -0.189  1.00  0.00           C  
HETATM   21  C   UNL     1       3.314   2.717   0.178  1.00  0.00           C  
HETATM   22  N   UNL     1       3.613   2.350  -1.209  1.00  0.00           N  
HETATM   23  C   UNL     1       7.791  -1.714   1.142  1.00  0.00           C  
HETATM   24  C   UNL     1       9.081  -1.197   1.725  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.895   3.095  -3.655  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.834   4.670  -0.253  1.00  0.00           O  
HETATM   27  C   UNL     1      -7.362  -1.572  -1.106  1.00  0.00           C  
HETATM   28  O   UNL     1      -7.772  -2.818  -1.675  1.00  0.00           O  
HETATM   29  C   UNL     1       3.055   1.449   0.998  1.00  0.00           C  
HETATM   30  N   UNL     1       4.269   0.630   1.030  1.00  0.00           N  
HETATM   31  O   UNL     1      -1.343   2.592  -1.593  1.00  0.00           O  
HETATM   32  O   UNL     1       0.972   2.912  -0.389  1.00  0.00           O  
HETATM   33  C   UNL     1      -6.855  -0.614  -2.207  1.00  0.00           C  
HETATM   34  O   UNL     1      -6.936  -1.239  -3.490  1.00  0.00           O  
HETATM   35  C   UNL     1       2.668   1.849   2.425  1.00  0.00           C  
HETATM   36  O   UNL     1       2.355   0.677   3.181  1.00  0.00           O  
HETATM   37  C   UNL     1       5.473  -1.398   0.588  1.00  0.00           C  
HETATM   38  C   UNL     1       4.250  -0.573   0.555  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.382  -0.350  -1.826  1.00  0.00           C  
HETATM   40  O   UNL     1      -5.318  -0.603  -0.405  1.00  0.00           O  
HETATM   41  C   UNL     1       1.446   2.769   2.376  1.00  0.00           C  
HETATM   42  O   UNL     1       1.744   3.912   1.573  1.00  0.00           O  
HETATM   43  C   UNL     1       5.476  -2.703   0.079  1.00  0.00           C  
HETATM   44  C   UNL     1       4.223  -3.293  -0.515  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.005   1.102  -2.128  1.00  0.00           C  
HETATM   46  O   UNL     1      -3.612   1.294  -1.879  1.00  0.00           O  
HETATM   47  C   UNL     1       1.095   3.213   3.773  1.00  0.00           C  
HETATM   48  C   UNL     1       6.641  -3.439   0.129  1.00  0.00           C  
HETATM   49  C   UNL     1       4.338   3.180  -1.984  1.00  0.00           C  
HETATM   50  O   UNL     1       4.744   4.231  -1.534  1.00  0.00           O  
HETATM   51  C   UNL     1       4.645   2.803  -3.410  1.00  0.00           C  
HETATM   52  O   UNL     1       2.792  -4.856  -2.813  1.00  0.00           O  
HETATM   53  O   UNL     1       2.211  -5.882  -0.581  1.00  0.00           O  
HETATM   54  O   UNL     1       4.051  -6.935  -2.135  1.00  0.00           O  
HETATM   55  O   UNL     1       4.489  -4.625  -0.959  1.00  0.00           O  
HETATM   56  H   UNL     1       6.973   1.034   0.992  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.057  -0.019   3.558  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.357   0.117   1.225  1.00  0.00           H  
HETATM   59  H   UNL     1       0.467   2.647   5.562  1.00  0.00           H  
HETATM   60  H   UNL     1       2.260   4.526  -0.331  1.00  0.00           H  
HETATM   61  H   UNL     1       0.766   3.804  -3.102  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.591  -2.674  -0.473  1.00  0.00           H  
HETATM   63  H   UNL     1       4.160   3.260   0.601  1.00  0.00           H  
HETATM   64  H   UNL     1       3.289   1.510  -1.569  1.00  0.00           H  
HETATM   65  H   UNL     1       9.120  -1.432   2.788  1.00  0.00           H  
HETATM   66  H   UNL     1       9.923  -1.667   1.217  1.00  0.00           H  
HETATM   67  H   UNL     1       9.133  -0.116   1.589  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.455   2.453  -4.227  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.183  -1.116  -0.551  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.539  -2.749  -2.259  1.00  0.00           H  
HETATM   71  H   UNL     1       2.244   0.881   0.544  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.426   0.314  -2.199  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.834  -1.482  -3.753  1.00  0.00           H  
HETATM   74  H   UNL     1       3.500   2.373   2.895  1.00  0.00           H  
HETATM   75  H   UNL     1       2.101   0.855   4.096  1.00  0.00           H  
HETATM   76  H   UNL     1       3.340  -0.973   0.135  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.723  -1.032  -2.362  1.00  0.00           H  
HETATM   78  H   UNL     1       0.603   2.230   1.943  1.00  0.00           H  
HETATM   79  H   UNL     1       3.437  -3.311   0.239  1.00  0.00           H  
HETATM   80  H   UNL     1       3.901  -2.686  -1.361  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.221   1.322  -3.174  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.584   1.768  -1.490  1.00  0.00           H  
HETATM   83  H   UNL     1       6.650  -4.446  -0.262  1.00  0.00           H  
HETATM   84  H   UNL     1       3.857   3.177  -4.063  1.00  0.00           H  
HETATM   85  H   UNL     1       5.599   3.241  -3.705  1.00  0.00           H  
HETATM   86  H   UNL     1       4.702   1.718  -3.495  1.00  0.00           H  
HETATM   87  H   UNL     1       2.520  -6.344   0.210  1.00  0.00           H  
HETATM   88  H   UNL     1       3.436  -7.548  -2.561  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.517  -3.891   3.697  1.00  0.00           H  
CONECT    1   52   52   54   53                                       
CONECT    1   55                                                      
CONECT    2    3   11   20                                            
CONECT    3    2    6    4    4                                       
CONECT    4    3    3                                                 
CONECT    5   37   37    7   23                                       
CONECT    6    3    8   89                                            
CONECT    7    5   56                                                 
CONECT    8    6    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   11   57                                       
CONECT   11    2   10   10   58                                       
CONECT   12   18   18   25   31                                       
CONECT   12   46                                                      
CONECT   13   31   26   26   32                                       
CONECT   13   19                                                      
CONECT   14   47   59                                                 
CONECT   15   47   47                                                 
CONECT   16   42   32   21   60                                       
CONECT   17   48   23   23                                            
CONECT   18   12   12                                                 
CONECT   19   13   61                                                 
CONECT   20    2   27   40   62                                       
CONECT   21   16   29   22   63                                       
CONECT   22   21   49   64                                            
CONECT   23    5   17   17   24                                       
CONECT   24   23   65   66   67                                       
CONECT   25   12   68                                                 
CONECT   26   13   13                                                 
CONECT   27   20   33   28   69                                       
CONECT   28   27   70                                                 
CONECT   29   21   35   30   71                                       
CONECT   30   29   38   38                                            
CONECT   31   12   13                                                 
CONECT   32   13   16                                                 
CONECT   33   27   34   39   72                                       
CONECT   34   33   73                                                 
CONECT   35   29   41   36   74                                       
CONECT   36   35   75                                                 
CONECT   37    5    5   38   43                                       
CONECT   38   30   30   37   76                                       
CONECT   39   33   40   45   77                                       
CONECT   40   20   39                                                 
CONECT   41   35   47   42   78                                       
CONECT   42   16   41                                                 
CONECT   43   37   44   48   48                                       
CONECT   44   43   55   79   80                                       
CONECT   45   39   46   81   82                                       
CONECT   46   12   45                                                 
CONECT   47   14   15   15   41                                       
CONECT   48   17   43   43   83                                       
CONECT   49   22   50   50   51                                       
CONECT   50   49   49                                                 
CONECT   51   49   84   85   86                                       
CONECT   52    1    1                                                 
CONECT   53    1   87                                                 
CONECT   54    1   88                                                 
CONECT   55    1   44                                                 
CONECT   56    7                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   14                                                      
CONECT   60   16                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   38                                                      
CONECT   77   39                                                      
CONECT   78   41                                                      
CONECT   79   44                                                      
CONECT   80   44                                                      
CONECT   81   45                                                      
CONECT   82   45                                                      
CONECT   83   48                                                      
CONECT   84   51                                                      
CONECT   85   51                                                      
CONECT   86   51                                                      
CONECT   87   53                                                      
CONECT   88   54                                                      
CONECT   89    6                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
