COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.614  -2.162   1.408  1.00  0.00           C  
HETATM    2  C   UNL     1       6.608  -1.542   0.473  1.00  0.00           C  
HETATM    3  C   UNL     1       6.519  -2.801  -0.144  1.00  0.00           C  
HETATM    4  C   UNL     1       7.556  -3.724   0.077  1.00  0.00           C  
HETATM    5  C   UNL     1       4.752  -1.679  -0.709  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.225   1.319  -2.356  1.00  0.00           O  
HETATM    7  P   UNL     1      -0.248   2.180  -0.996  1.00  0.00           P  
HETATM    8  O   UNL     1      -0.467   3.608  -1.319  1.00  0.00           O  
HETATM    9  O   UNL     1      -1.439   1.656  -0.048  1.00  0.00           O  
HETATM   10  P   UNL     1      -3.040   1.819  -0.071  1.00  0.00           P  
HETATM   11  O   UNL     1      -3.435   3.304   0.408  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.539   1.594  -1.446  1.00  0.00           O  
HETATM   13  O   UNL     1      -3.704   0.740   0.924  1.00  0.00           O  
HETATM   14  C   UNL     1      -5.116   0.561   1.047  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.403  -0.537   2.072  1.00  0.00           C  
HETATM   16  O   UNL     1      -4.962  -0.112   3.363  1.00  0.00           O  
HETATM   17  C   UNL     1      -6.885  -0.812   2.113  1.00  0.00           C  
HETATM   18  O   UNL     1      -7.563  -0.334   2.991  1.00  0.00           O  
HETATM   19  C   UNL     1      -7.507  -1.665   1.080  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.988  -1.939   1.121  1.00  0.00           C  
HETATM   21  N   UNL     1      -6.782  -2.175   0.142  1.00  0.00           N  
HETATM   22  C   UNL     1      -7.374  -3.116  -0.811  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.363  -2.508  -2.190  1.00  0.00           C  
HETATM   24  O   UNL     1      -7.860  -3.195  -3.230  1.00  0.00           O  
HETATM   25  O   UNL     1      -6.908  -1.402  -2.359  1.00  0.00           O  
HETATM   26  O   UNL     1       1.160   2.013  -0.231  1.00  0.00           O  
HETATM   27  C   UNL     1       2.397   2.484  -0.767  1.00  0.00           C  
HETATM   28  C   UNL     1       3.531   2.165   0.209  1.00  0.00           C  
HETATM   29  C   UNL     1       4.853   2.763  -0.309  1.00  0.00           C  
HETATM   30  O   UNL     1       5.380   3.701   0.632  1.00  0.00           O  
HETATM   31  C   UNL     1       5.795   1.542  -0.445  1.00  0.00           C  
HETATM   32  O   UNL     1       7.112   1.861   0.006  1.00  0.00           O  
HETATM   33  C   UNL     1       5.123   0.508   0.495  1.00  0.00           C  
HETATM   34  O   UNL     1       3.712   0.742   0.299  1.00  0.00           O  
HETATM   35  N   UNL     1       5.480  -0.857   0.099  1.00  0.00           N  
HETATM   36  N   UNL     1       7.663  -1.269   1.233  1.00  0.00           N  
HETATM   37  N   UNL     1       8.575  -3.358   0.849  1.00  0.00           N  
HETATM   38  N   UNL     1       7.523  -4.979  -0.504  1.00  0.00           N  
HETATM   39  N   UNL     1       5.363  -2.819  -0.850  1.00  0.00           N  
HETATM   40  H   UNL     1       9.461  -1.906   2.027  1.00  0.00           H  
HETATM   41  H   UNL     1       3.806  -1.422  -1.164  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.085   0.372  -2.219  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.139   3.521   1.303  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.573   1.494   1.377  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.532   0.275   0.081  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.873  -1.446   1.789  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.393   0.694   3.680  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.443  -1.357   1.922  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.436  -1.658   0.168  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.156  -3.001   1.303  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.795  -4.040  -0.817  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.401  -3.333  -0.517  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.831  -2.764  -4.095  1.00  0.00           H  
HETATM   54  H   UNL     1       2.591   1.993  -1.721  1.00  0.00           H  
HETATM   55  H   UNL     1       2.341   3.562  -0.918  1.00  0.00           H  
HETATM   56  H   UNL     1       3.298   2.572   1.193  1.00  0.00           H  
HETATM   57  H   UNL     1       4.703   3.239  -1.278  1.00  0.00           H  
HETATM   58  H   UNL     1       6.212   4.109   0.356  1.00  0.00           H  
HETATM   59  H   UNL     1       5.814   1.178  -1.472  1.00  0.00           H  
HETATM   60  H   UNL     1       7.540   2.568  -0.496  1.00  0.00           H  
HETATM   61  H   UNL     1       5.405   0.691   1.531  1.00  0.00           H  
HETATM   62  H   UNL     1       6.778  -5.231  -1.072  1.00  0.00           H  
HETATM   63  H   UNL     1       8.245  -5.607  -0.344  1.00  0.00           H  
CONECT    1   36   36   37   40                                       
CONECT    2   36   35    3    3                                       
CONECT    3    2    2    4   39                                       
CONECT    4   37   37    3   38                                       
CONECT    5   35   39   39   41                                       
CONECT    6    7   42                                                 
CONECT    7    8    8   26    6                                       
CONECT    7    9                                                      
CONECT    8    7    7                                                 
CONECT    9    7   10                                                 
CONECT   10    9   13   12   12                                       
CONECT   10   11                                                      
CONECT   11   10   43                                                 
CONECT   12   10   10                                                 
CONECT   13   14   10                                                 
CONECT   14   15   13   44   45                                       
CONECT   15   16   17   14   46                                       
CONECT   16   15   47                                                 
CONECT   17   18   18   15   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   21   21   20                                       
CONECT   20   19   48   49   50                                       
CONECT   21   19   19   22                                            
CONECT   22   21   23   51   52                                       
CONECT   23   25   25   22   24                                       
CONECT   24   23   53                                                 
CONECT   25   23   23                                                 
CONECT   26   27    7                                                 
CONECT   27   28   26   54   55                                       
CONECT   28   29   34   27   56                                       
CONECT   29   30   31   28   57                                       
CONECT   30   29   58                                                 
CONECT   31   32   29   33   59                                       
CONECT   32   31   60                                                 
CONECT   33   31   35   34   61                                       
CONECT   34   33   28                                                 
CONECT   35   33    2    5                                            
CONECT   36    1    1    2                                            
CONECT   37    1    4    4                                            
CONECT   38    4   62   63                                            
CONECT   39    5    5    3                                            
CONECT   40    1                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43   11                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   24                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   38                                                      
CONECT   63   38                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
