COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.086  -1.730  -0.476  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.300  -1.618   0.185  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.051  -0.466   0.062  1.00  0.00           C  
HETATM    4  C   UNL     1       1.846   1.898   0.736  1.00  0.00           C  
HETATM    5  C   UNL     1       2.038  -0.578   0.893  1.00  0.00           C  
HETATM    6  C   UNL     1       1.090  -1.681   1.371  1.00  0.00           C  
HETATM    7  C   UNL     1       5.641   0.852  -2.538  1.00  0.00           C  
HETATM    8  C   UNL     1       4.420   0.505  -3.103  1.00  0.00           C  
HETATM    9  C   UNL     1       3.460  -0.125  -2.342  1.00  0.00           C  
HETATM   10  C   UNL     1       2.714   0.912   2.767  1.00  0.00           C  
HETATM   11  C   UNL     1       2.866   2.171   3.306  1.00  0.00           C  
HETATM   12  C   UNL     1       2.520   3.293   2.565  1.00  0.00           C  
HETATM   13  C   UNL     1       2.693  -1.089  -0.180  1.00  0.00           C  
HETATM   14  O   UNL     1       1.867  -2.877   1.025  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.042  -1.738   0.299  1.00  0.00           C  
HETATM   16  C   UNL     1       0.706  -2.322  -0.928  1.00  0.00           C  
HETATM   17  C   UNL     1       2.151  -2.509  -0.367  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.375   0.469  -1.388  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.625  -0.684  -1.263  1.00  0.00           C  
HETATM   20  N   UNL     1      -5.353   1.752  -0.852  1.00  0.00           N  
HETATM   21  C   UNL     1       4.945  -0.063  -0.434  1.00  0.00           C  
HETATM   22  C   UNL     1       5.899   0.566  -1.204  1.00  0.00           C  
HETATM   23  O   UNL     1       6.587   1.468  -3.294  1.00  0.00           O  
HETATM   24  C   UNL     1       3.716  -0.415  -0.998  1.00  0.00           C  
HETATM   25  C   UNL     1       2.202   0.766   1.474  1.00  0.00           C  
HETATM   26  O   UNL     1       2.677   4.533   3.099  1.00  0.00           O  
HETATM   27  C   UNL     1       2.006   3.152   1.282  1.00  0.00           C  
HETATM   28  S   UNL     1      -1.381  -2.842   0.828  1.00  0.00           S  
HETATM   29  O   UNL     1      -0.915  -4.181   0.922  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.128  -2.251   1.882  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.345  -2.862  -0.350  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.590   0.581  -0.725  1.00  0.00           C  
HETATM   33  N   UNL     1      -6.594   2.018  -0.250  1.00  0.00           N  
HETATM   34  C   UNL     1      -6.949   3.217  -0.631  1.00  0.00           C  
HETATM   35  N   UNL     1      -6.008   3.715  -1.432  1.00  0.00           N  
HETATM   36  C   UNL     1      -5.038   2.847  -1.570  1.00  0.00           C  
HETATM   37  H   UNL     1      -4.658  -2.432   0.798  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.996  -0.379   0.577  1.00  0.00           H  
HETATM   39  H   UNL     1       1.450   1.789  -0.263  1.00  0.00           H  
HETATM   40  H   UNL     1       0.766  -1.607   2.409  1.00  0.00           H  
HETATM   41  H   UNL     1       4.224   0.729  -4.141  1.00  0.00           H  
HETATM   42  H   UNL     1       2.512  -0.395  -2.782  1.00  0.00           H  
HETATM   43  H   UNL     1       2.991   0.041   3.341  1.00  0.00           H  
HETATM   44  H   UNL     1       3.261   2.286   4.305  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.425  -0.740   0.083  1.00  0.00           H  
HETATM   46  H   UNL     1       0.278  -3.279  -1.227  1.00  0.00           H  
HETATM   47  H   UNL     1       0.699  -1.618  -1.760  1.00  0.00           H  
HETATM   48  H   UNL     1       2.797  -3.191  -0.919  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.017   1.283  -2.000  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.680  -0.771  -1.778  1.00  0.00           H  
HETATM   51  H   UNL     1       5.147  -0.285   0.604  1.00  0.00           H  
HETATM   52  H   UNL     1       6.850   0.838  -0.769  1.00  0.00           H  
HETATM   53  H   UNL     1       6.530   2.433  -3.285  1.00  0.00           H  
HETATM   54  H   UNL     1       1.905   4.852   3.586  1.00  0.00           H  
HETATM   55  H   UNL     1       1.732   4.028   0.712  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.859   3.723  -0.343  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.145   2.983  -2.162  1.00  0.00           H  
CONECT    1    2   31   19   19                                       
CONECT    2    3    3    1   37                                       
CONECT    3    2    2   32   38                                       
CONECT    4   27   25   25   39                                       
CONECT    5   25   13   13    6                                       
CONECT    6    5   14   15   40                                       
CONECT    7   23   22   22    8                                       
CONECT    8    7    9    9   41                                       
CONECT    9    8    8   24   42                                       
CONECT   10   11   11   25   43                                       
CONECT   11   12   10   10   44                                       
CONECT   12   26   27   27   11                                       
CONECT   13   24    5    5   17                                       
CONECT   14    6   17                                                 
CONECT   15    6   16   28   45                                       
CONECT   16   17   15   46   47                                       
CONECT   17   13   14   16   48                                       
CONECT   18   32   32   19   49                                       
CONECT   19    1    1   18   50                                       
CONECT   20   36   32   33                                            
CONECT   21   22   24   24   51                                       
CONECT   22    7    7   21   52                                       
CONECT   23    7   53                                                 
CONECT   24   21   21    9   13                                       
CONECT   25    4    4   10    5                                       
CONECT   26   12   54                                                 
CONECT   27   12   12    4   55                                       
CONECT   28   15   31   29   29                                       
CONECT   28   30   30                                                 
CONECT   29   28   28                                                 
CONECT   30   28   28                                                 
CONECT   31    1   28                                                 
CONECT   32    3   20   18   18                                       
CONECT   33   20   34   34                                            
CONECT   34   35   33   33   56                                       
CONECT   35   36   36   34                                            
CONECT   36   35   35   20   57                                       
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    6                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   34                                                      
CONECT   57   36                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
