COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.670   1.582  -1.275  1.00  0.00           C  
HETATM    2  C   UNL     1       2.157   3.764  -0.455  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.015  -1.821  -1.027  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.228  -2.695  -1.606  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.227  -2.956  -0.472  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.776  -1.633   0.003  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.032   0.642   1.656  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.369   0.249   1.082  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.916   0.569   0.308  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.329  -1.597  -1.224  1.00  0.00           N  
HETATM   11  O   UNL     1      -0.563  -2.938  -1.166  1.00  0.00           O  
HETATM   12  C   UNL     1       7.491  -2.483   0.908  1.00  0.00           C  
HETATM   13  C   UNL     1       6.106  -1.979   0.755  1.00  0.00           C  
HETATM   14  C   UNL     1       5.702  -0.832   1.438  1.00  0.00           C  
HETATM   15  C   UNL     1       4.415  -0.363   1.296  1.00  0.00           C  
HETATM   16  C   UNL     1       3.514  -1.036   0.469  1.00  0.00           C  
HETATM   17  C   UNL     1       2.132  -0.533   0.315  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.107  -0.684  -0.636  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.140   0.393  -1.722  1.00  0.00           C  
HETATM   20  C   UNL     1       2.019   1.651  -1.572  1.00  0.00           C  
HETATM   21  C   UNL     1       2.762   2.742  -1.162  1.00  0.00           C  
HETATM   22  C   UNL     1       0.807   3.698  -0.163  1.00  0.00           C  
HETATM   23  C   UNL     1       0.064   2.607  -0.573  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.169  -0.393  -0.261  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.895  -0.245  -1.059  1.00  0.00           C  
HETATM   26  C   UNL     1       3.919  -2.184  -0.215  1.00  0.00           C  
HETATM   27  C   UNL     1       5.209  -2.649  -0.076  1.00  0.00           C  
HETATM   28  N   UNL     1       7.891  -3.616   0.234  1.00  0.00           N  
HETATM   29  N   UNL     1       8.331  -1.856   1.680  1.00  0.00           N  
HETATM   30  N   UNL     1       1.263  -1.183  -0.484  1.00  0.00           N  
HETATM   31  N   UNL     1       2.953   4.932  -0.016  1.00  0.00           N1+
HETATM   32  N   UNL     1      -5.851  -1.415   0.704  1.00  0.00           N  
HETATM   33  N   UNL     1      -5.965  -0.032   0.913  1.00  0.00           N  
HETATM   34  O   UNL     1       1.780   0.467   0.910  1.00  0.00           O  
HETATM   35  O   UNL     1       2.420   5.833   0.607  1.00  0.00           O1-
HETATM   36  O   UNL     1       4.141   4.993  -0.278  1.00  0.00           O  
HETATM   37  O   UNL     1      -9.499   0.748   1.609  1.00  0.00           O  
HETATM   38  O   UNL     1      -8.425  -0.515   0.148  1.00  0.00           O  
HETATM   39  H   UNL     1      -2.643  -3.596  -1.790  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.770  -2.422  -2.512  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.042  -3.579  -0.839  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.722  -3.461   0.351  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.905   1.721   1.576  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.987   0.347   2.705  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.715   1.630   0.285  1.00  0.00           H  
HETATM   46  H   UNL     1       6.399  -0.311   2.079  1.00  0.00           H  
HETATM   47  H   UNL     1       4.102   0.525   1.826  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.445  -0.258   0.309  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.171   0.700  -1.897  1.00  0.00           H  
HETATM   50  H   UNL     1       0.282  -0.008  -2.644  1.00  0.00           H  
HETATM   51  H   UNL     1       2.491   0.853  -2.125  1.00  0.00           H  
HETATM   52  H   UNL     1       3.815   2.796  -1.394  1.00  0.00           H  
HETATM   53  H   UNL     1       0.333   4.499   0.385  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.990   2.556  -0.345  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.191   0.389  -0.520  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.115   0.187  -2.034  1.00  0.00           H  
HETATM   57  H   UNL     1       3.223  -2.705  -0.855  1.00  0.00           H  
HETATM   58  H   UNL     1       5.522  -3.537  -0.605  1.00  0.00           H  
HETATM   59  H   UNL     1       7.265  -4.084  -0.341  1.00  0.00           H  
HETATM   60  H   UNL     1       8.797  -3.946   0.334  1.00  0.00           H  
HETATM   61  H   UNL     1       9.237  -2.185   1.781  1.00  0.00           H  
HETATM   62  H   UNL     1       1.544  -1.981  -0.958  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.332   0.467   1.207  1.00  0.00           H  
CONECT    1   23   19   20   20                                       
CONECT    2   22   31   21   21                                       
CONECT    3   10   18   11   11                                       
CONECT    4   10    5   39   40                                       
CONECT    5    6    4   41   42                                       
CONECT    6   24   32   32    5                                       
CONECT    7    8   33   43   44                                       
CONECT    8   38   38   37    7                                       
CONECT    9   33   24   24   45                                       
CONECT   10   25    4    3                                            
CONECT   11    3    3                                                 
CONECT   12   29   29   13   28                                       
CONECT   13   14   14   27   12                                       
CONECT   14   15   13   13   46                                       
CONECT   15   16   16   14   47                                       
CONECT   16   17   15   15   26                                       
CONECT   17   34   34   16   30                                       
CONECT   18   30    3   19   48                                       
CONECT   19   18    1   49   50                                       
CONECT   20    1    1   21   51                                       
CONECT   21    2    2   20   52                                       
CONECT   22   23   23    2   53                                       
CONECT   23   22   22    1   54                                       
CONECT   24    9    9   25    6                                       
CONECT   25   24   10   55   56                                       
CONECT   26   16   27   27   57                                       
CONECT   27   26   26   13   58                                       
CONECT   28   12   59   60                                            
CONECT   29   12   12   61                                            
CONECT   30   17   18   62                                            
CONECT   31   35    2   36   36                                       
CONECT   32   33    6    6                                            
CONECT   33    7    9   32                                            
CONECT   34   17   17                                                 
CONECT   35   31                                                      
CONECT   36   31   31                                                 
CONECT   37    8   63                                                 
CONECT   38    8    8                                                 
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    9                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   37                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
