COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.222  -1.456  -2.075  1.00  0.00           C  
HETATM    2  N   UNL     1       2.715  -1.291  -0.710  1.00  0.00           N  
HETATM    3  C   UNL     1       2.738  -0.076  -0.126  1.00  0.00           C  
HETATM    4  C   UNL     1       2.217   0.093   1.277  1.00  0.00           C  
HETATM    5  N   UNL     1       2.940   1.183   1.937  1.00  0.00           N  
HETATM    6  C   UNL     1       2.900   2.428   1.422  1.00  0.00           C  
HETATM    7  C   UNL     1       3.644   3.549   2.101  1.00  0.00           C  
HETATM    8  O   UNL     1       2.266   2.645   0.411  1.00  0.00           O  
HETATM    9  C   UNL     1       0.725   0.426   1.231  1.00  0.00           C  
HETATM   10  C   UNL     1       0.204   0.596   2.635  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.301  -0.491   3.321  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.774  -0.335   4.610  1.00  0.00           C  
HETATM   13  P   UNL     1      -1.431  -1.765   5.514  1.00  0.00           P  
HETATM   14  O   UNL     1      -3.035  -1.794   5.378  1.00  0.00           O  
HETATM   15  O   UNL     1      -1.059  -1.659   6.942  1.00  0.00           O  
HETATM   16  O   UNL     1      -0.815  -3.118   4.898  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.750   0.909   5.210  1.00  0.00           C  
HETATM   18  P   UNL     1      -1.376   1.114   6.900  1.00  0.00           P  
HETATM   19  O   UNL     1      -0.226   0.706   7.951  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.796   2.650   7.135  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.556   0.243   7.098  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.249   1.998   4.522  1.00  0.00           C  
HETATM   23  C   UNL     1       0.227   1.842   3.234  1.00  0.00           C  
HETATM   24  O   UNL     1       3.177   0.878  -0.730  1.00  0.00           O  
HETATM   25  C   UNL     1       3.533  -2.932  -2.333  1.00  0.00           C  
HETATM   26  C   UNL     1       2.559  -3.829  -1.595  1.00  0.00           C  
HETATM   27  C   UNL     1       1.137  -3.773  -2.118  1.00  0.00           C  
HETATM   28  C   UNL     1       0.501  -2.410  -1.831  1.00  0.00           C  
HETATM   29  C   UNL     1       0.875  -1.461  -2.951  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.095  -1.058  -3.849  1.00  0.00           C  
HETATM   31  C   UNL     1       0.235  -0.189  -4.879  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.711   0.209  -5.764  1.00  0.00           O  
HETATM   33  C   UNL     1      -1.931  -0.424  -5.377  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.047  -0.013  -6.340  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.354  -0.693  -5.926  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.470  -0.282  -6.888  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.648   1.236  -6.844  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.342   1.916  -7.258  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.226   1.505  -6.295  1.00  0.00           C  
HETATM   40  C   UNL     1       1.553   0.273  -5.001  1.00  0.00           C  
HETATM   41  C   UNL     1       2.520  -0.144  -4.083  1.00  0.00           C  
HETATM   42  C   UNL     1       2.169  -1.003  -3.067  1.00  0.00           C  
HETATM   43  C   UNL     1       1.916   1.197  -6.092  1.00  0.00           C  
HETATM   44  N   UNL     1       3.183   1.640  -6.206  1.00  0.00           N  
HETATM   45  O   UNL     1       1.071   1.559  -6.889  1.00  0.00           O  
HETATM   46  H   UNL     1       4.127  -0.863  -2.205  1.00  0.00           H  
HETATM   47  H   UNL     1       2.364  -2.055  -0.227  1.00  0.00           H  
HETATM   48  H   UNL     1       2.366  -0.831   1.834  1.00  0.00           H  
HETATM   49  H   UNL     1       3.448   1.009   2.745  1.00  0.00           H  
HETATM   50  H   UNL     1       3.495   4.473   1.543  1.00  0.00           H  
HETATM   51  H   UNL     1       3.268   3.672   3.116  1.00  0.00           H  
HETATM   52  H   UNL     1       4.708   3.311   2.134  1.00  0.00           H  
HETATM   53  H   UNL     1       0.576   1.351   0.673  1.00  0.00           H  
HETATM   54  H   UNL     1       0.187  -0.384   0.739  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.319  -1.464   2.852  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.343  -2.567   5.871  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.080  -3.148   3.968  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.599   0.829   8.835  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.986   3.174   7.071  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.231   2.971   4.990  1.00  0.00           H  
HETATM   61  H   UNL     1       0.619   2.693   2.696  1.00  0.00           H  
HETATM   62  H   UNL     1       3.465  -3.132  -3.402  1.00  0.00           H  
HETATM   63  H   UNL     1       4.546  -3.149  -1.993  1.00  0.00           H  
HETATM   64  H   UNL     1       2.913  -4.857  -1.666  1.00  0.00           H  
HETATM   65  H   UNL     1       2.552  -3.541  -0.544  1.00  0.00           H  
HETATM   66  H   UNL     1       1.144  -3.945  -3.194  1.00  0.00           H  
HETATM   67  H   UNL     1       0.547  -4.552  -1.635  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.582  -2.514  -1.785  1.00  0.00           H  
HETATM   69  H   UNL     1       0.875  -2.024  -0.883  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.108  -1.419  -3.750  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.804  -1.506  -5.409  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.195  -0.119  -4.364  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.784  -0.318  -7.352  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.227  -1.775  -5.958  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.617  -0.388  -4.913  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.207  -0.587  -7.901  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.401  -0.766  -6.594  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.443   1.529  -7.529  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.912   1.541  -5.831  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.078   1.611  -8.270  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.469   2.998  -7.226  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.489   1.810  -5.282  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.295   1.989  -6.590  1.00  0.00           H  
HETATM   84  H   UNL     1       3.538   0.207  -4.169  1.00  0.00           H  
HETATM   85  H   UNL     1       3.422   2.248  -6.924  1.00  0.00           H  
HETATM   86  H   UNL     1       3.857   1.352  -5.571  1.00  0.00           H  
CONECT    1    2   25   42   46                                       
CONECT    2    1    3   47                                            
CONECT    3    2    4   24   24                                       
CONECT    4    3    5    9   48                                       
CONECT    5    4    6   49                                            
CONECT    6    5    7    8    8                                       
CONECT    7    6   50   51   52                                       
CONECT    8    6    6                                                 
CONECT    9    4   10   53   54                                       
CONECT   10    9   11   11   23                                       
CONECT   11   10   10   12   55                                       
CONECT   12   11   13   17   17                                       
CONECT   13   12   14   15   15                                       
CONECT   13   16                                                      
CONECT   14   13   56                                                 
CONECT   15   13   13                                                 
CONECT   16   13   57                                                 
CONECT   17   12   12   18   22                                       
CONECT   18   17   19   20   21                                       
CONECT   18   21                                                      
CONECT   19   18   58                                                 
CONECT   20   18   59                                                 
CONECT   21   18   18                                                 
CONECT   22   17   23   23   60                                       
CONECT   23   10   22   22   61                                       
CONECT   24    3    3                                                 
CONECT   25    1   26   62   63                                       
CONECT   26   25   27   64   65                                       
CONECT   27   26   28   66   67                                       
CONECT   28   27   29   68   69                                       
CONECT   29   28   30   30   42                                       
CONECT   30   29   29   31   70                                       
CONECT   31   30   32   40   40                                       
CONECT   32   31   33                                                 
CONECT   33   32   34   71   72                                       
CONECT   34   33   35   39   73                                       
CONECT   35   34   36   74   75                                       
CONECT   36   35   37   76   77                                       
CONECT   37   36   38   78   79                                       
CONECT   38   37   39   80   81                                       
CONECT   39   34   38   82   83                                       
CONECT   40   31   31   41   43                                       
CONECT   41   40   42   42   84                                       
CONECT   42    1   29   41   41                                       
CONECT   43   40   44   45   45                                       
CONECT   44   43   85   86                                            
CONECT   45   43   43                                                 
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   11                                                      
CONECT   56   14                                                      
CONECT   57   16                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   30                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   39                                                      
CONECT   84   41                                                      
CONECT   85   44                                                      
CONECT   86   44                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
