COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.477   1.431   0.673  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.354   0.531  -0.558  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.065   0.868  -1.309  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.706   0.904  -0.949  1.00  0.00           C  
HETATM    5  C   UNL     1       1.725   0.895  -0.779  1.00  0.00           C  
HETATM    6  C   UNL     1       2.093   2.380  -0.785  1.00  0.00           C  
HETATM    7  C   UNL     1       5.264  -0.321   1.526  1.00  0.00           C  
HETATM    8  C   UNL     1       6.425   1.705   2.418  1.00  0.00           C  
HETATM    9  C   UNL     1       8.262   1.756   0.997  1.00  0.00           C  
HETATM   10  C   UNL     1       7.333   0.651   0.446  1.00  0.00           C  
HETATM   11  C   UNL     1       4.191  -2.379   0.603  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.319  -0.934  -0.117  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.084   0.349  -0.557  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.144  -0.319   1.229  1.00  0.00           C  
HETATM   15  C   UNL     1       2.736   0.130   0.035  1.00  0.00           C  
HETATM   16  C   UNL     1       4.858  -1.050   0.243  1.00  0.00           C  
HETATM   17  C   UNL     1       6.002   0.970   1.166  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.110  -0.063   0.241  1.00  0.00           C  
HETATM   19  C   UNL     1     -10.454  -0.252   0.521  1.00  0.00           C  
HETATM   20  C   UNL     1     -10.840  -0.697   1.769  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.891  -0.956   2.747  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.552  -0.767   2.488  1.00  0.00           C  
HETATM   23  C   UNL     1       3.447   2.567  -1.474  1.00  0.00           C  
HETATM   24  C   UNL     1       3.320   2.204  -2.955  1.00  0.00           C  
HETATM   25  C   UNL     1       3.889   4.026  -1.343  1.00  0.00           C  
HETATM   26  N   UNL     1       0.394   0.725  -0.191  1.00  0.00           N  
HETATM   27  N   UNL     1       3.917  -0.220  -0.513  1.00  0.00           N  
HETATM   28  N   UNL     1       7.694   2.132   2.298  1.00  0.00           N  
HETATM   29  N   UNL     1      -8.413   0.362  -0.878  1.00  0.00           N  
HETATM   30  N   UNL     1      -6.930  -0.055   0.680  1.00  0.00           N  
HETATM   31  O   UNL     1      -1.925   0.652  -0.436  1.00  0.00           O  
HETATM   32  O   UNL     1       5.720   1.887   3.389  1.00  0.00           O  
HETATM   33  O   UNL     1       5.096  -3.174   1.372  1.00  0.00           O  
HETATM   34  O   UNL     1       2.488  -0.170   1.184  1.00  0.00           O  
HETATM   35  O   UNL     1      -0.597   1.294  -2.094  1.00  0.00           O  
HETATM   36  S   UNL     1      -5.775   0.800  -1.646  1.00  0.00           S  
HETATM   37  S   UNL     1       3.751  -3.265  -0.918  1.00  0.00           S  
HETATM   38  H   UNL     1      -4.502   2.475   0.359  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.396   1.191   1.209  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.621   1.269   1.329  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.977   0.226  -2.186  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.089   1.911  -1.623  1.00  0.00           H  
HETATM   43  H   UNL     1       1.721   0.517  -1.802  1.00  0.00           H  
HETATM   44  H   UNL     1       1.330   2.941  -1.325  1.00  0.00           H  
HETATM   45  H   UNL     1       2.155   2.743   0.240  1.00  0.00           H  
HETATM   46  H   UNL     1       4.373  -0.081   2.105  1.00  0.00           H  
HETATM   47  H   UNL     1       5.920  -0.961   2.115  1.00  0.00           H  
HETATM   48  H   UNL     1       9.273   1.370   1.124  1.00  0.00           H  
HETATM   49  H   UNL     1       8.266   2.615   0.326  1.00  0.00           H  
HETATM   50  H   UNL     1       7.222   0.738  -0.635  1.00  0.00           H  
HETATM   51  H   UNL     1       7.698  -0.339   0.721  1.00  0.00           H  
HETATM   52  H   UNL     1       3.290  -2.188   1.185  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.238  -1.174   0.419  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.232  -1.575  -0.994  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.464  -1.096   0.539  1.00  0.00           H  
HETATM   56  H   UNL     1       5.743  -1.240  -0.363  1.00  0.00           H  
HETATM   57  H   UNL     1       5.375   1.608   0.543  1.00  0.00           H  
HETATM   58  H   UNL     1     -11.198  -0.051  -0.235  1.00  0.00           H  
HETATM   59  H   UNL     1     -11.887  -0.844   1.986  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.205  -1.304   3.720  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.818  -0.972   3.254  1.00  0.00           H  
HETATM   62  H   UNL     1       4.186   1.919  -1.004  1.00  0.00           H  
HETATM   63  H   UNL     1       4.254   2.433  -3.467  1.00  0.00           H  
HETATM   64  H   UNL     1       3.105   1.140  -3.051  1.00  0.00           H  
HETATM   65  H   UNL     1       2.510   2.780  -3.402  1.00  0.00           H  
HETATM   66  H   UNL     1       3.979   4.285  -0.288  1.00  0.00           H  
HETATM   67  H   UNL     1       4.853   4.159  -1.834  1.00  0.00           H  
HETATM   68  H   UNL     1       3.149   4.673  -1.814  1.00  0.00           H  
HETATM   69  H   UNL     1       0.305   0.482   0.744  1.00  0.00           H  
HETATM   70  H   UNL     1       4.143   0.077  -1.408  1.00  0.00           H  
HETATM   71  H   UNL     1       8.174   2.622   2.983  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.796   0.620  -1.731  1.00  0.00           H  
HETATM   73  H   UNL     1       5.374  -2.761   2.201  1.00  0.00           H  
HETATM   74  O   UNL     1       4.877  -3.370  -1.778  1.00  0.00           O  
HETATM   75  O   UNL     1       2.949  -4.400  -0.620  1.00  0.00           O  
HETATM   76  O   UNL     1       2.807  -2.320  -1.648  1.00  0.00           O  
HETATM   77  H   UNL     1       2.483  -2.663  -2.493  1.00  0.00           H  
CONECT    1    2   38   39   40                                       
CONECT    2    1   36    3   12                                       
CONECT    3    2   31   41   42                                       
CONECT    4   31   26   35   35                                       
CONECT    5   26   15    6   43                                       
CONECT    6    5   23   44   45                                       
CONECT    7   17   16   46   47                                       
CONECT    8   28   17   32   32                                       
CONECT    9   10   28   48   49                                       
CONECT   10    9   17   50   51                                       
CONECT   11   16   33   37   52                                       
CONECT   12    2   53   54   55                                       
CONECT   13   29   30   30   36                                       
CONECT   14   18   18   22   30                                       
CONECT   15   34   34    5   27                                       
CONECT   16   27    7   11   56                                       
CONECT   17   10    8    7   57                                       
CONECT   18   19   29   14   14                                       
CONECT   19   20   20   18   58                                       
CONECT   20   19   19   21   59                                       
CONECT   21   20   22   22   60                                       
CONECT   22   21   21   14   61                                       
CONECT   23    6   24   25   62                                       
CONECT   24   23   63   64   65                                       
CONECT   25   23   66   67   68                                       
CONECT   26    4    5   69                                            
CONECT   27   15   16   70                                            
CONECT   28    9    8   71                                            
CONECT   29   18   13   72                                            
CONECT   30   14   13   13                                            
CONECT   31    3    4                                                 
CONECT   32    8    8                                                 
CONECT   33   11   73                                                 
CONECT   34   15   15                                                 
CONECT   35    4    4                                                 
CONECT   36   13    2                                                 
CONECT   37   11   74   74   75                                       
CONECT   37   75   76                                                 
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   33                                                      
CONECT   74   37   37                                                 
CONECT   75   37   37                                                 
CONECT   76   37   77                                                 
CONECT   77   76                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
