COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.259  -4.019  -0.460  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.834  -2.699  -0.445  1.00  0.00           C  
HETATM    3  C   UNL     1       0.526  -2.406  -0.603  1.00  0.00           C  
HETATM    4  C   UNL     1       1.440  -3.443  -0.775  1.00  0.00           C  
HETATM    5  C   UNL     1       1.002  -4.752  -0.788  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.342  -5.040  -0.626  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.657   1.288  -0.049  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.882   1.030   0.621  1.00  0.00           C  
HETATM    9  N   UNL     1      -6.094  -0.168   1.178  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.169  -1.096   1.101  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.955  -0.843   0.438  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.728   0.335  -0.118  1.00  0.00           N  
HETATM   13  C   UNL     1      -5.413   3.504  -0.550  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.614   3.250   0.113  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.856   2.041   0.688  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.447   2.551  -0.636  1.00  0.00           C  
HETATM   17  C   UNL     1       6.780   1.266  -0.148  1.00  0.00           C  
HETATM   18  C   UNL     1       7.509   1.017   1.175  1.00  0.00           C  
HETATM   19  N   UNL     1       7.054  -0.256   1.750  1.00  0.00           N  
HETATM   20  C   UNL     1       5.604  -0.234   1.989  1.00  0.00           C  
HETATM   21  C   UNL     1       4.875   0.014   0.666  1.00  0.00           C  
HETATM   22  N   UNL     1       5.331   1.288   0.090  1.00  0.00           N  
HETATM   23  N   UNL     1       2.259   0.810  -0.716  1.00  0.00           N  
HETATM   24  C   UNL     1       0.979   1.159  -0.411  1.00  0.00           C  
HETATM   25  N   UNL     1       0.230   0.085  -0.336  1.00  0.00           N  
HETATM   26  C   UNL     1       0.992  -0.998  -0.589  1.00  0.00           C  
HETATM   27  C   UNL     1       2.257  -0.575  -0.829  1.00  0.00           C  
HETATM   28  S   UNL     1       0.981   2.924  -0.267  1.00  0.00           S  
HETATM   29  C   UNL     1       2.709   3.085  -0.628  1.00  0.00           C  
HETATM   30  C   UNL     1       3.149   1.854  -0.818  1.00  0.00           C  
HETATM   31  N   UNL     1      -1.758  -1.666  -0.273  1.00  0.00           N  
HETATM   32  C   UNL     1      -2.923  -1.903   0.362  1.00  0.00           C  
HETATM   33  O   UNL     1      -3.128  -2.988   0.872  1.00  0.00           O  
HETATM   34  C   UNL     1       4.598   1.599  -1.144  1.00  0.00           C  
HETATM   35  H   UNL     1      -2.307  -4.250  -0.337  1.00  0.00           H  
HETATM   36  H   UNL     1       2.490  -3.223  -0.898  1.00  0.00           H  
HETATM   37  H   UNL     1       1.712  -5.555  -0.921  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.677  -6.066  -0.637  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.341  -2.063   1.551  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.248   4.471  -1.002  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.365   4.025   0.167  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.792   1.859   1.194  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.522   2.761  -1.153  1.00  0.00           H  
HETATM   44  H   UNL     1       7.095   2.224  -0.562  1.00  0.00           H  
HETATM   45  H   UNL     1       7.021   0.469  -0.852  1.00  0.00           H  
HETATM   46  H   UNL     1       8.583   0.972   0.995  1.00  0.00           H  
HETATM   47  H   UNL     1       7.290   1.829   1.868  1.00  0.00           H  
HETATM   48  H   UNL     1       7.311  -1.032   1.159  1.00  0.00           H  
HETATM   49  H   UNL     1       5.289  -1.192   2.403  1.00  0.00           H  
HETATM   50  H   UNL     1       5.363   0.563   2.692  1.00  0.00           H  
HETATM   51  H   UNL     1       5.095  -0.797  -0.028  1.00  0.00           H  
HETATM   52  H   UNL     1       3.801   0.060   0.845  1.00  0.00           H  
HETATM   53  H   UNL     1       3.106  -1.199  -1.064  1.00  0.00           H  
HETATM   54  H   UNL     1       3.283   3.999  -0.677  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.562  -0.778  -0.610  1.00  0.00           H  
HETATM   56  H   UNL     1       5.028   2.487  -1.608  1.00  0.00           H  
HETATM   57  H   UNL     1       4.673   0.757  -1.833  1.00  0.00           H  
CONECT    1    2    2    6   35                                       
CONECT    2    1    1    3   31                                       
CONECT    3    2   26    4    4                                       
CONECT    4    3    3    5   36                                       
CONECT    5    4    6    6   37                                       
CONECT    6    1    5    5   38                                       
CONECT    7    8    8   12   16                                       
CONECT    8    7    7    9   15                                       
CONECT    9    8   10   10                                            
CONECT   10    9    9   11   39                                       
CONECT   11   10   32   12   12                                       
CONECT   12    7   11   11                                            
CONECT   13   14   16   16   40                                       
CONECT   14   13   15   15   41                                       
CONECT   15    8   14   14   42                                       
CONECT   16    7   13   13   43                                       
CONECT   17   18   22   44   45                                       
CONECT   18   17   19   46   47                                       
CONECT   19   18   20   48                                            
CONECT   20   19   21   49   50                                       
CONECT   21   20   22   51   52                                       
CONECT   22   17   21   34                                            
CONECT   23   30   27   24                                            
CONECT   24   23   28   25   25                                       
CONECT   25   24   24   26                                            
CONECT   26    3   25   27   27                                       
CONECT   27   23   26   26   53                                       
CONECT   28   24   29                                                 
CONECT   29   28   30   30   54                                       
CONECT   30   23   29   29   34                                       
CONECT   31    2   32   55                                            
CONECT   32   11   31   33   33                                       
CONECT   33   32   32                                                 
CONECT   34   22   30   56   57                                       
CONECT   35    1                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39   10                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   27                                                      
CONECT   54   29                                                      
CONECT   55   31                                                      
CONECT   56   34                                                      
CONECT   57   34                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
