COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.464  -0.679   0.199  1.00  0.00           C  
HETATM    2  N   UNL     1       0.424  -0.849  -0.431  1.00  0.00           N  
HETATM    3  O   UNL     1      -8.715  -0.469  -0.375  1.00  0.00           O  
HETATM    4  S   UNL     1      -1.024   1.538  -0.489  1.00  0.00           S  
HETATM    5  C   UNL     1       3.924   1.261  -0.005  1.00  0.00           C  
HETATM    6  N   UNL     1       3.161  -2.120  -0.191  1.00  0.00           N  
HETATM    7  C   UNL     1       2.728   1.874  -0.111  1.00  0.00           C  
HETATM    8  N   UNL     1       3.997  -0.108  -0.040  1.00  0.00           N  
HETATM    9  C   UNL     1      -5.165   1.009   1.095  1.00  0.00           C  
HETATM   10  N   UNL     1       8.635  -0.878   0.423  1.00  0.00           N  
HETATM   11  C   UNL     1       1.610  -0.145  -0.291  1.00  0.00           C  
HETATM   12  N   UNL     1       8.317   0.485   0.430  1.00  0.00           N  
HETATM   13  C   UNL     1       2.842  -0.837  -0.184  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.711   1.476  -0.656  1.00  0.00           N  
HETATM   15  C   UNL     1       5.028  -1.001   0.039  1.00  0.00           C  
HETATM   16  N   UNL     1       1.598   1.173  -0.246  1.00  0.00           N  
HETATM   17  C   UNL     1       7.023   0.612   0.298  1.00  0.00           C  
HETATM   18  N   UNL     1      -5.110  -0.303   0.438  1.00  0.00           N  
HETATM   19  C   UNL     1       4.479  -2.249  -0.058  1.00  0.00           C  
HETATM   20  C   UNL     1       7.489  -1.578   0.283  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.785  -0.165  -0.525  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.027  -0.702  -0.665  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.484  -0.202  -0.887  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.046   0.221  -0.733  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.448  -0.901   0.344  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.858   1.256   1.852  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.390   0.066  -0.376  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.366  -2.212  -0.441  1.00  0.00           C  
HETATM   29  C   UNL     1       2.664   3.379  -0.076  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.982  -1.181   1.750  1.00  0.00           C  
HETATM   31  H   UNL     1       0.436  -1.819  -0.464  1.00  0.00           H  
HETATM   32  H   UNL     1      -9.366   0.093  -0.815  1.00  0.00           H  
HETATM   33  H   UNL     1       4.825   1.848   0.103  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.302   1.787   0.344  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.999   1.030   1.796  1.00  0.00           H  
HETATM   36  H   UNL     1       9.525  -1.255   0.505  1.00  0.00           H  
HETATM   37  H   UNL     1       6.477   1.543   0.271  1.00  0.00           H  
HETATM   38  H   UNL     1       5.022  -3.182  -0.030  1.00  0.00           H  
HETATM   39  H   UNL     1       7.399  -2.654   0.245  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.199  -1.767  -0.720  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.525  -1.172  -1.384  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.017   0.536  -1.486  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.679   0.435   2.546  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.033   1.318   1.141  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.930   2.192   2.406  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.054   0.203  -1.404  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.386   1.027   0.139  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.696  -2.902   0.071  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.359  -2.656  -0.511  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.986  -2.013  -1.443  1.00  0.00           H  
HETATM   51  H   UNL     1       2.753   3.770  -1.090  1.00  0.00           H  
HETATM   52  H   UNL     1       1.712   3.692   0.351  1.00  0.00           H  
HETATM   53  H   UNL     1       3.480   3.763   0.535  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.040  -0.248   2.309  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.975  -1.625   1.680  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.311  -1.871   2.263  1.00  0.00           H  
CONECT    1   15   17   20   20                                       
CONECT    2   11   21   31                                            
CONECT    3   27   32                                                 
CONECT    4   14   21                                                 
CONECT    5    7    7    8   33                                       
CONECT    6   13   13   19                                            
CONECT    7    5    5   29   16                                       
CONECT    8    5   13   15                                            
CONECT    9   18   26   34   35                                       
CONECT   10   12   20   36                                            
CONECT   11    2   16   16   13                                       
CONECT   12   10   17   17                                            
CONECT   13    6    6    8   11                                       
CONECT   14    4   24   24                                            
CONECT   15    1    8   19   19                                       
CONECT   16   11   11    7                                            
CONECT   17    1   12   12   37                                       
CONECT   18    9   25   23                                            
CONECT   19    6   15   15   38                                       
CONECT   20    1    1   10   39                                       
CONECT   21    2    4   22   22                                       
CONECT   22   21   21   24   40                                       
CONECT   23   18   24   41   42                                       
CONECT   24   22   14   14   23                                       
CONECT   25   18   30   27   28                                       
CONECT   26    9   43   44   45                                       
CONECT   27   25    3   46   47                                       
CONECT   28   25   48   49   50                                       
CONECT   29    7   51   52   53                                       
CONECT   30   25   54   55   56                                       
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   17                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
