COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.281   2.256  -0.414  1.00  0.00           C  
HETATM    2  C   UNL     1       5.646   2.302   0.436  1.00  0.00           C  
HETATM    3  C   UNL     1       6.671  -2.308   0.988  1.00  0.00           C  
HETATM    4  C   UNL     1       6.201  -2.771  -1.653  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.867  -1.116   0.308  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.699  -2.717   0.175  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.954  -1.469  -0.869  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.002  -2.978  -1.118  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.451   0.323  -0.339  1.00  0.00           C  
HETATM   10  C   UNL     1       4.244   1.696   0.635  1.00  0.00           C  
HETATM   11  C   UNL     1       6.561   1.075   0.204  1.00  0.00           C  
HETATM   12  C   UNL     1       5.725  -0.075   0.821  1.00  0.00           C  
HETATM   13  C   UNL     1       6.804  -3.759  -0.838  1.00  0.00           C  
HETATM   14  C   UNL     1       5.857  -1.586  -1.104  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.304   0.748   0.861  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.814   0.549   2.779  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.337  -0.169   4.015  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.768   0.386   0.591  1.00  0.00           C  
HETATM   19  N   UNL     1      -8.251  -1.462  -0.025  1.00  0.00           N  
HETATM   20  N   UNL     1       6.097  -1.360   0.225  1.00  0.00           N  
HETATM   21  N   UNL     1       7.023  -3.497   0.466  1.00  0.00           N  
HETATM   22  N   UNL     1      -4.840   0.049   2.062  1.00  0.00           N  
HETATM   23  O   UNL     1      -7.957  -3.561   0.630  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.614  -1.078  -0.565  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.077   0.607  -0.071  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.516   2.117  -2.014  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.603   1.355  -0.555  1.00  0.00           O  
HETATM   28  O   UNL     1       1.960   1.779  -0.152  1.00  0.00           O  
HETATM   29  O   UNL     1       7.123  -4.835  -1.311  1.00  0.00           O  
HETATM   30  O   UNL     1       6.879  -2.084   2.165  1.00  0.00           O  
HETATM   31  O   UNL     1       4.367   0.273   0.474  1.00  0.00           O  
HETATM   32  O   UNL     1       7.804   1.228   0.892  1.00  0.00           O  
HETATM   33  O   UNL     1       6.052   3.017   1.605  1.00  0.00           O  
HETATM   34  O   UNL     1       0.409   3.751  -0.938  1.00  0.00           O  
HETATM   35  O   UNL     1       0.969   1.827  -2.473  1.00  0.00           O  
HETATM   36  O   UNL     1      -1.820  -0.302  -2.194  1.00  0.00           O  
HETATM   37  O   UNL     1      -3.275   1.578   2.430  1.00  0.00           O  
HETATM   38  O   UNL     1      -7.240   1.118  -0.542  1.00  0.00           O  
HETATM   39  P   UNL     1      -2.015   0.970  -1.226  1.00  0.00           P  
HETATM   40  P   UNL     1       0.690   2.170  -1.060  1.00  0.00           P  
HETATM   41  H   UNL     1       3.290   3.345  -0.370  1.00  0.00           H  
HETATM   42  H   UNL     1       3.595   1.931  -1.406  1.00  0.00           H  
HETATM   43  H   UNL     1       5.659   2.958  -0.434  1.00  0.00           H  
HETATM   44  H   UNL     1       6.018  -2.962  -2.700  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.555  -1.675   1.191  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.720  -2.971  -0.071  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.293  -0.942  -1.762  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.025  -3.276  -1.349  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.352  -3.228  -1.957  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.663  -3.504  -0.226  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.770   0.874  -1.224  1.00  0.00           H  
HETATM   52  H   UNL     1       3.879   1.925   1.636  1.00  0.00           H  
HETATM   53  H   UNL     1       6.725   0.909  -0.861  1.00  0.00           H  
HETATM   54  H   UNL     1       5.852  -0.104   1.903  1.00  0.00           H  
HETATM   55  H   UNL     1       5.396  -0.820  -1.710  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.215   1.824   1.009  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.507   0.381   4.457  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.153  -0.236   4.734  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.006  -1.173   3.747  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.372   0.633   1.464  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.845  -0.786  -0.389  1.00  0.00           H  
HETATM   62  H   UNL     1       7.437  -4.169   1.031  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.271  -0.774   2.342  1.00  0.00           H  
HETATM   64  H   UNL     1       8.323   1.990   0.602  1.00  0.00           H  
HETATM   65  H   UNL     1       6.939   3.397   1.546  1.00  0.00           H  
HETATM   66  H   UNL     1       0.218   4.048  -0.038  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.492  -1.093  -1.744  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.162   0.937  -0.771  1.00  0.00           H  
CONECT    1   10   28   41   42                                       
CONECT    2   33   10   11   43                                       
CONECT    3   30   30   20   21                                       
CONECT    4   14   14   13   44                                       
CONECT    5   18    7   19   45                                       
CONECT    6   19   23   23   46                                       
CONECT    7   24    5    8   47                                       
CONECT    8    7   48   49   50                                       
CONECT    9   25   15   24   51                                       
CONECT   10    2   31    1   52                                       
CONECT   11   32    2   12   53                                       
CONECT   12   11   31   20   54                                       
CONECT   13   21    4   29   29                                       
CONECT   14   20    4    4   55                                       
CONECT   15    9   22   18   56                                       
CONECT   16   22   17   37   37                                       
CONECT   17   16   57   58   59                                       
CONECT   18   15   38    5   60                                       
CONECT   19    5    6   61                                            
CONECT   20   12    3   14                                            
CONECT   21    3   13   62                                            
CONECT   22   15   16   63                                            
CONECT   23    6    6                                                 
CONECT   24    9    7                                                 
CONECT   25   39    9                                                 
CONECT   26   39   39                                                 
CONECT   27   40   39                                                 
CONECT   28    1   40                                                 
CONECT   29   13   13                                                 
CONECT   30    3    3                                                 
CONECT   31   10   12                                                 
CONECT   32   11   64                                                 
CONECT   33    2   65                                                 
CONECT   34   40   66                                                 
CONECT   35   40   40                                                 
CONECT   36   39   67                                                 
CONECT   37   16   16                                                 
CONECT   38   18   68                                                 
CONECT   39   27   26   26   36                                       
CONECT   39   25                                                      
CONECT   40   28   27   35   35                                       
CONECT   40   34                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   36                                                      
CONECT   68   38                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
