COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.548  -0.876   0.400  1.00  0.00           C  
HETATM    2  N   UNL     1       7.089  -1.056   1.864  1.00  0.00           N  
HETATM    3  O   UNL     1       4.367  -0.636   1.575  1.00  0.00           O  
HETATM    4  C   UNL     1       5.892  -0.610  -0.225  1.00  0.00           C  
HETATM    5  C   UNL     1       6.843  -0.042   0.831  1.00  0.00           C  
HETATM    6  C   UNL     1       9.071   1.027   1.199  1.00  0.00           C  
HETATM    7  C   UNL     1      10.396   1.413   0.538  1.00  0.00           C  
HETATM    8  C   UNL     1       8.167   0.345   0.169  1.00  0.00           C  
HETATM    9  N   UNL     1      11.263   2.068   1.526  1.00  0.00           N  
HETATM   10  N   UNL     1       1.171  -1.368  -1.978  1.00  0.00           N  
HETATM   11  C   UNL     1       1.297  -2.223  -0.784  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.075  -2.468  -0.200  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.380  -3.610   0.085  1.00  0.00           O  
HETATM   14  C   UNL     1       2.242  -1.652   0.266  1.00  0.00           C  
HETATM   15  N   UNL     1       3.547  -1.387  -0.344  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.039  -0.338   0.526  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.895  -1.409   0.001  1.00  0.00           N  
HETATM   18  O   UNL     1      -2.443   0.722   0.471  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.961  -5.048  -0.264  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.435  -3.817  -0.420  1.00  0.00           N  
HETATM   21  N   UNL     1      -2.522  -6.070  -1.024  1.00  0.00           N  
HETATM   22  O   UNL     1      -3.831  -5.237   0.564  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.272  -1.577   0.296  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.884  -2.772   0.358  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.133   0.865   0.654  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.376  -0.405   0.763  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.774   1.529  -0.646  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.858   1.773   1.848  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.307   1.069   3.131  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.792   1.875   4.333  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.326   1.927   4.232  1.00  0.00           N  
HETATM   32  C   UNL     1      -2.756   2.152   3.001  1.00  0.00           C  
HETATM   33  N   UNL     1      -3.433   2.079   1.903  1.00  0.00           N  
HETATM   34  N   UNL     1      -1.420   2.468   2.937  1.00  0.00           N  
HETATM   35  O   UNL     1      -5.425   1.273  -1.646  1.00  0.00           O  
HETATM   36  N   UNL     1      -1.740   4.260  -3.230  1.00  0.00           N  
HETATM   37  C   UNL     1      -1.962   3.244  -2.193  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.221   1.981  -2.553  1.00  0.00           C  
HETATM   39  O   UNL     1      -1.809   0.924  -2.640  1.00  0.00           O  
HETATM   40  C   UNL     1      -3.459   2.939  -2.090  1.00  0.00           C  
HETATM   41  N   UNL     1      -3.742   2.410  -0.735  1.00  0.00           N  
HETATM   42  N   UNL     1       0.123   2.046  -2.778  1.00  0.00           N  
HETATM   43  C   UNL     1       0.795   0.777  -3.122  1.00  0.00           C  
HETATM   44  C   UNL     1       0.992  -0.024  -1.850  1.00  0.00           C  
HETATM   45  O   UNL     1       0.981   0.569  -0.795  1.00  0.00           O  
HETATM   46  C   UNL     1       2.159   1.070  -3.750  1.00  0.00           C  
HETATM   47  H   UNL     1       7.506  -1.885   1.466  1.00  0.00           H  
HETATM   48  H   UNL     1       7.663  -0.685   2.606  1.00  0.00           H  
HETATM   49  H   UNL     1       6.301  -1.541  -0.619  1.00  0.00           H  
HETATM   50  H   UNL     1       5.780   0.109  -1.037  1.00  0.00           H  
HETATM   51  H   UNL     1       6.393   0.840   1.287  1.00  0.00           H  
HETATM   52  H   UNL     1       9.264   0.341   2.024  1.00  0.00           H  
HETATM   53  H   UNL     1       8.579   1.922   1.578  1.00  0.00           H  
HETATM   54  H   UNL     1      10.888   0.518   0.159  1.00  0.00           H  
HETATM   55  H   UNL     1      10.203   2.099  -0.288  1.00  0.00           H  
HETATM   56  H   UNL     1       8.659  -0.551  -0.209  1.00  0.00           H  
HETATM   57  H   UNL     1       7.975   1.031  -0.656  1.00  0.00           H  
HETATM   58  H   UNL     1      11.404   1.477   2.331  1.00  0.00           H  
HETATM   59  H   UNL     1      12.145   2.333   1.113  1.00  0.00           H  
HETATM   60  H   UNL     1       1.214  -1.769  -2.881  1.00  0.00           H  
HETATM   61  H   UNL     1       1.697  -3.204  -1.103  1.00  0.00           H  
HETATM   62  H   UNL     1       1.829  -0.723   0.659  1.00  0.00           H  
HETATM   63  H   UNL     1       2.359  -2.370   1.077  1.00  0.00           H  
HETATM   64  H   UNL     1       3.692  -1.580  -1.284  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.538  -0.494  -0.046  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.900  -6.956  -0.912  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.828  -5.920  -1.685  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.728  -2.913   1.017  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.741  -3.667  -1.081  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.208   0.625   0.638  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.830  -1.237   1.003  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.420   2.700   1.732  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.396   1.021   3.161  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.895   0.060   3.158  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.202   2.885   4.305  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.083   1.382   5.261  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.771   1.804   5.018  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.896   2.528   3.751  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.001   2.631   2.077  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.758   4.477  -3.320  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.127   3.964  -4.114  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.601   3.618  -1.235  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.031   3.853  -2.249  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.735   2.199  -2.839  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.210   2.692   0.024  1.00  0.00           H  
HETATM   86  H   UNL     1       0.613   2.882  -2.717  1.00  0.00           H  
HETATM   87  H   UNL     1       0.182   0.206  -3.816  1.00  0.00           H  
HETATM   88  H   UNL     1       2.774   1.624  -3.040  1.00  0.00           H  
HETATM   89  H   UNL     1       2.652   0.131  -4.002  1.00  0.00           H  
HETATM   90  H   UNL     1       2.023   1.663  -4.654  1.00  0.00           H  
CONECT    1    3    3    4   15                                       
CONECT    2    5   47   48                                            
CONECT    3    1    1                                                 
CONECT    4    1    5   49   50                                       
CONECT    5    2    4    8   51                                       
CONECT    6    7    8   52   53                                       
CONECT    7    6    9   54   55                                       
CONECT    8    5    6   56   57                                       
CONECT    9    7   58   59                                            
CONECT   10   11   60   44                                            
CONECT   11   10   12   14   61                                       
CONECT   12   11   13   13   17                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   62   63                                       
CONECT   15   14   64    1                                            
CONECT   16   18   18   23   26                                       
CONECT   17   23   65   12                                            
CONECT   18   16   16                                                 
CONECT   19   22   22   20   21                                       
CONECT   20   19   24   69                                            
CONECT   21   19   66   67                                            
CONECT   22   19   19                                                 
CONECT   23   17   16   24   24                                       
CONECT   24   20   23   23   68                                       
CONECT   25   26   27   70   28                                       
CONECT   26   25   71   16                                            
CONECT   27   25   35   35   41                                       
CONECT   28   25   33   72   29                                       
CONECT   29   28   73   74   30                                       
CONECT   30   29   31   75   76                                       
CONECT   31   30   32   77                                            
CONECT   32   31   34   33   33                                       
CONECT   33   28   32   32                                            
CONECT   34   32   78   79                                            
CONECT   35   27   27                                                 
CONECT   36   37   80   81                                            
CONECT   37   36   38   40   82                                       
CONECT   38   37   39   39   42                                       
CONECT   39   38   38                                                 
CONECT   40   37   41   83   84                                       
CONECT   41   40   85   27                                            
CONECT   42   43   86   38                                            
CONECT   43   42   44   46   87                                       
CONECT   44   43   45   45   10                                       
CONECT   45   44   44                                                 
CONECT   46   43   88   89   90                                       
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   17                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   24                                                      
CONECT   69   20                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   36                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   40                                                      
CONECT   84   40                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
CONECT   87   43                                                      
CONECT   88   46                                                      
CONECT   89   46                                                      
CONECT   90   46                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
