COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.175  -1.701  -0.246  1.00  0.00           N  
HETATM    2  C   UNL     1       2.858  -3.131  -0.206  1.00  0.00           C  
HETATM    3  C   UNL     1       2.913  -3.640   1.247  1.00  0.00           C  
HETATM    4  C   UNL     1       4.430  -1.149  -0.297  1.00  0.00           C  
HETATM    5  C   UNL     1       4.241   0.243  -0.319  1.00  0.00           C  
HETATM    6  N   UNL     1       2.905   0.465  -0.282  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.934  -0.598  -0.364  1.00  0.00           C  
HETATM    8  C   UNL     1       1.495  -4.204   1.506  1.00  0.00           C  
HETATM    9  C   UNL     1       2.278  -0.675  -0.244  1.00  0.00           C  
HETATM   10  O   UNL     1       1.519  -3.347  -0.684  1.00  0.00           O  
HETATM   11  O   UNL     1       3.894  -4.671   1.379  1.00  0.00           O  
HETATM   12  C   UNL     1      -6.753   0.978  -0.134  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.307  -0.324  -0.352  1.00  0.00           C  
HETATM   14  C   UNL     1       0.621  -3.177   2.228  1.00  0.00           C  
HETATM   15  C   UNL     1       0.978  -4.456   0.066  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.019   0.436  -0.158  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.456  -1.976  -0.588  1.00  0.00           C  
HETATM   18  C   UNL     1       5.379   1.066  -0.372  1.00  0.00           C  
HETATM   19  N   UNL     1       5.668  -1.634  -0.326  1.00  0.00           N  
HETATM   20  O   UNL     1      -8.087   1.245  -0.121  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.474   1.730   0.058  1.00  0.00           C  
HETATM   22  N   UNL     1       6.576   0.491  -0.399  1.00  0.00           N  
HETATM   23  C   UNL     1      -5.844   1.998   0.070  1.00  0.00           C  
HETATM   24  C   UNL     1       6.704  -0.824  -0.376  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.502   2.830   0.277  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.529  -4.434   0.032  1.00  0.00           C  
HETATM   27  O   UNL     1      -5.256  -2.875  -0.763  1.00  0.00           O  
HETATM   28  N   UNL     1      -3.134  -2.237  -0.600  1.00  0.00           N  
HETATM   29  C   UNL     1      -1.154  -3.627  -0.788  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.955   4.130   0.494  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.134   2.565   0.272  1.00  0.00           C  
HETATM   32  N   UNL     1       5.255   2.444  -0.397  1.00  0.00           N  
HETATM   33  O   UNL     1      -7.202  -1.324  -0.552  1.00  0.00           O  
HETATM   34  C   UNL     1      -1.689   4.883   0.687  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.234   3.591   0.477  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.048   5.149   0.698  1.00  0.00           C  
HETATM   37  F   UNL     1      -0.804   5.884   0.888  1.00  0.00           F  
HETATM   38  C   UNL     1      -2.660  -3.605  -0.822  1.00  0.00           C  
HETATM   39  C   UNL     1       6.452   3.286  -0.453  1.00  0.00           C  
HETATM   40  C   UNL     1       6.039   4.760  -0.470  1.00  0.00           C  
HETATM   41  C   UNL     1       7.290   5.639  -0.528  1.00  0.00           C  
HETATM   42  H   UNL     1       3.567  -3.685  -0.820  1.00  0.00           H  
HETATM   43  H   UNL     1       3.127  -2.819   1.931  1.00  0.00           H  
HETATM   44  H   UNL     1       1.544  -5.136   2.070  1.00  0.00           H  
HETATM   45  H   UNL     1       1.204  -0.790  -0.214  1.00  0.00           H  
HETATM   46  H   UNL     1       4.794  -4.386   1.171  1.00  0.00           H  
HETATM   47  H   UNL     1       0.535  -2.279   1.616  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.370  -3.598   2.398  1.00  0.00           H  
HETATM   49  H   UNL     1       1.077  -2.921   3.185  1.00  0.00           H  
HETATM   50  H   UNL     1       1.358  -5.402  -0.319  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.959   0.229  -0.167  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.495   1.169   0.752  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.194   3.006   0.238  1.00  0.00           H  
HETATM   54  H   UNL     1       7.696  -1.250  -0.398  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.093  -5.085   0.684  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.497  -1.520  -0.461  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.590  -2.976  -1.440  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.015   4.339   0.503  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.778   1.559   0.108  1.00  0.00           H  
HETATM   60  H   UNL     1       4.375   2.852  -0.378  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.484  -1.768   0.260  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.173   3.387   0.473  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.398   6.157   0.867  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.050  -4.257  -0.041  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.007  -3.956  -1.795  1.00  0.00           H  
HETATM   66  H   UNL     1       7.073   3.094   0.423  1.00  0.00           H  
HETATM   67  H   UNL     1       7.017   3.056  -1.356  1.00  0.00           H  
HETATM   68  H   UNL     1       5.419   4.952  -1.345  1.00  0.00           H  
HETATM   69  H   UNL     1       5.475   4.990   0.433  1.00  0.00           H  
HETATM   70  H   UNL     1       7.910   5.446   0.347  1.00  0.00           H  
HETATM   71  H   UNL     1       7.854   5.409  -1.432  1.00  0.00           H  
HETATM   72  H   UNL     1       6.996   6.689  -0.541  1.00  0.00           H  
CONECT    1    2    4    9                                            
CONECT    2    1    3   10   42                                       
CONECT    3    2    8   11   43                                       
CONECT    4    1    5    5   19                                       
CONECT    5    4    4    6   18                                       
CONECT    6    5    9    9                                            
CONECT    7   13   13   16   17                                       
CONECT    8    3   14   15   44                                       
CONECT    9    1    6    6   45                                       
CONECT   10    2   15                                                 
CONECT   11    3   46                                                 
CONECT   12   13   20   23   23                                       
CONECT   13    7    7   12   33                                       
CONECT   14    8   47   48   49                                       
CONECT   15    8   10   26   50                                       
CONECT   16    7   21   21   51                                       
CONECT   17    7   27   27   28                                       
CONECT   18    5   22   22   32                                       
CONECT   19    4   24   24                                            
CONECT   20   12   52                                                 
CONECT   21   16   16   23   25                                       
CONECT   22   18   18   24                                            
CONECT   23   12   12   21   53                                       
CONECT   24   19   19   22   54                                       
CONECT   25   21   30   30   31                                       
CONECT   26   15   29   29   55                                       
CONECT   27   17   17                                                 
CONECT   28   17   38   56                                            
CONECT   29   26   26   38   57                                       
CONECT   30   25   25   36   58                                       
CONECT   31   25   35   35   59                                       
CONECT   32   18   39   60                                            
CONECT   33   13   61                                                 
CONECT   34   35   36   36   37                                       
CONECT   35   31   31   34   62                                       
CONECT   36   30   34   34   63                                       
CONECT   37   34                                                      
CONECT   38   28   29   64   65                                       
CONECT   39   32   40   66   67                                       
CONECT   40   39   41   68   69                                       
CONECT   41   40   70   71   72                                       
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   11                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   20                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   26                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   35                                                      
CONECT   63   36                                                      
CONECT   64   38                                                      
CONECT   65   38                                                      
CONECT   66   39                                                      
CONECT   67   39                                                      
CONECT   68   40                                                      
CONECT   69   40                                                      
CONECT   70   41                                                      
CONECT   71   41                                                      
CONECT   72   41                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
