COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.030   0.901  -7.064  1.00  0.00           N  
HETATM    2  C   UNL     1       1.571  -0.301  -6.800  1.00  0.00           C  
HETATM    3  N   UNL     1       2.809  -0.611  -7.226  1.00  0.00           N  
HETATM    4  C   UNL     1       3.535   0.289  -7.919  1.00  0.00           C  
HETATM    5  C   UNL     1       2.980   1.561  -8.199  1.00  0.00           C  
HETATM    6  C   UNL     1       1.733   1.843  -7.764  1.00  0.00           C  
HETATM    7  O   UNL     1       0.928  -1.124  -6.177  1.00  0.00           O  
HETATM    8  O   UNL     1       4.658   0.011  -8.300  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.322   1.208  -6.592  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.335   0.153  -7.107  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.816   0.500  -8.407  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.470   0.252  -6.054  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.788   0.890  -4.828  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.401   1.078  -5.157  1.00  0.00           O  
HETATM   15  O   UNL     1      -3.528   1.084  -6.535  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.915  -0.039  -3.619  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.273   0.556  -2.490  1.00  0.00           O  
HETATM   18  P   UNL     1      -1.444  -0.470  -1.262  1.00  0.00           P  
HETATM   19  O   UNL     1      -2.884  -0.684  -0.996  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.752  -1.874  -1.637  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.741   0.141   0.050  1.00  0.00           O  
HETATM   22  P   UNL     1      -0.949  -0.931   1.232  1.00  0.00           P  
HETATM   23  O   UNL     1      -0.321  -2.215   0.849  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.524  -1.157   1.480  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.485  -1.372   3.589  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.580  -0.690   4.956  1.00  0.00           C  
HETATM   27  C   UNL     1       0.721   0.073   5.224  1.00  0.00           C  
HETATM   28  C   UNL     1       1.902  -0.887   5.052  1.00  0.00           C  
HETATM   29  C   UNL     1       1.808  -1.551   3.676  1.00  0.00           C  
HETATM   30  C   UNL     1       3.001  -2.489   3.481  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.933  -0.187   5.342  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.098   0.768   5.348  1.00  0.00           C  
HETATM   33  N   UNL     1      -1.713   0.239   4.962  1.00  0.00           N  
HETATM   34  O   UNL     1      -0.267  -0.381   2.582  1.00  0.00           O  
HETATM   35  O   UNL     1       0.710   0.585   6.558  1.00  0.00           O  
HETATM   36  O   UNL     1       3.128  -0.160   5.151  1.00  0.00           O  
HETATM   37  O   UNL     1       0.597  -2.300   3.583  1.00  0.00           O  
HETATM   38  O   UNL     1       2.914  -3.110   2.197  1.00  0.00           O  
HETATM   39  O   UNL     1      -3.094  -1.341   5.679  1.00  0.00           O  
HETATM   40  C   UNL     1       0.604   2.960   6.244  1.00  0.00           C  
HETATM   41  C   UNL     1       1.492   1.781   6.548  1.00  0.00           C  
HETATM   42  C   UNL     1       2.145   1.975   7.918  1.00  0.00           C  
HETATM   43  C   UNL     1       3.047   0.778   8.226  1.00  0.00           C  
HETATM   44  O   UNL     1      -0.577   2.793   6.055  1.00  0.00           O  
HETATM   45  O   UNL     1       1.125   4.195   6.183  1.00  0.00           O  
HETATM   46  H   UNL     1       3.183  -1.485  -7.030  1.00  0.00           H  
HETATM   47  H   UNL     1       3.546   2.295  -8.753  1.00  0.00           H  
HETATM   48  H   UNL     1       1.293   2.808  -7.969  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.618   2.209  -6.904  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.892  -0.842  -7.111  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.439  -0.191  -8.668  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.849  -0.738  -5.806  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.250   1.852  -4.605  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.873   0.663  -7.334  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.440  -0.994  -3.845  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.969  -0.201  -3.395  1.00  0.00           H  
HETATM   57  H   UNL     1       0.181  -1.690  -1.802  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.894  -0.298   1.727  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.416  -1.900   3.382  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.723  -1.443   5.730  1.00  0.00           H  
HETATM   61  H   UNL     1       0.813   0.897   4.517  1.00  0.00           H  
HETATM   62  H   UNL     1       1.867  -1.651   5.828  1.00  0.00           H  
HETATM   63  H   UNL     1       1.820  -0.784   2.902  1.00  0.00           H  
HETATM   64  H   UNL     1       3.927  -1.918   3.547  1.00  0.00           H  
HETATM   65  H   UNL     1       2.991  -3.255   4.256  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.995   0.246   5.682  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.885   1.595   6.026  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.256   1.155   4.341  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.584   1.162   4.692  1.00  0.00           H  
HETATM   70  H   UNL     1       3.843  -0.802   5.037  1.00  0.00           H  
HETATM   71  H   UNL     1       3.683  -3.691   2.115  1.00  0.00           H  
HETATM   72  H   UNL     1       2.266   1.703   5.784  1.00  0.00           H  
HETATM   73  H   UNL     1       1.372   2.053   8.682  1.00  0.00           H  
HETATM   74  H   UNL     1       2.742   2.887   7.910  1.00  0.00           H  
HETATM   75  H   UNL     1       3.513   0.916   9.202  1.00  0.00           H  
HETATM   76  H   UNL     1       2.451  -0.133   8.234  1.00  0.00           H  
HETATM   77  H   UNL     1       3.821   0.700   7.463  1.00  0.00           H  
HETATM   78  H   UNL     1       0.555   4.952   5.988  1.00  0.00           H  
CONECT    1    2    6    9                                            
CONECT    2    1    3    7    7                                       
CONECT    3    2    4   46                                            
CONECT    4    3    5    8    8                                       
CONECT    5    4    6    6   47                                       
CONECT    6    1    5    5   48                                       
CONECT    7    2    2                                                 
CONECT    8    4    4                                                 
CONECT    9    1   10   14   49                                       
CONECT   10    9   11   12   50                                       
CONECT   11   10   51                                                 
CONECT   12   10   13   15   52                                       
CONECT   13   12   14   16   53                                       
CONECT   14    9   13                                                 
CONECT   15   12   54                                                 
CONECT   16   13   17   55   56                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   19   20                                       
CONECT   18   21                                                      
CONECT   19   18   18                                                 
CONECT   20   18   57                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   23   24                                       
CONECT   22   34                                                      
CONECT   23   22   22                                                 
CONECT   24   22   58                                                 
CONECT   25   26   34   37   59                                       
CONECT   26   25   27   33   60                                       
CONECT   27   26   28   35   61                                       
CONECT   28   27   29   36   62                                       
CONECT   29   28   30   37   63                                       
CONECT   30   29   38   64   65                                       
CONECT   31   32   33   39   39                                       
CONECT   32   31   66   67   68                                       
CONECT   33   26   31   69                                            
CONECT   34   22   25                                                 
CONECT   35   27   41                                                 
CONECT   36   28   70                                                 
CONECT   37   25   29                                                 
CONECT   38   30   71                                                 
CONECT   39   31   31                                                 
CONECT   40   41   44   44   45                                       
CONECT   41   35   40   42   72                                       
CONECT   42   41   43   73   74                                       
CONECT   43   42   75   76   77                                       
CONECT   44   40   40                                                 
CONECT   45   40   78                                                 
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   20                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   36                                                      
CONECT   71   38                                                      
CONECT   72   41                                                      
CONECT   73   42                                                      
CONECT   74   42                                                      
CONECT   75   43                                                      
CONECT   76   43                                                      
CONECT   77   43                                                      
CONECT   78   45                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
