COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.763  -1.044   0.343  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.037   0.071   0.770  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.659   0.073   0.674  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.995  -1.037   0.151  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.717  -2.146  -0.274  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.092  -2.153  -0.180  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.235  -1.054   0.449  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.684   2.210   1.718  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.755   2.991   2.651  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.244   3.151   0.650  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.257   1.313  -0.194  1.00  0.00           C  
HETATM   12  O   UNL     1      -7.812  -2.063   0.804  1.00  0.00           O  
HETATM   13  N   UNL     1      -7.939   0.056   0.151  1.00  0.00           N  
HETATM   14  N   UNL     1      -1.603  -1.034   0.055  1.00  0.00           N  
HETATM   15  O   UNL     1      -2.950   1.157   1.089  1.00  0.00           O  
HETATM   16  C   UNL     1      -7.844   1.841  -1.507  1.00  0.00           C  
HETATM   17  N   UNL     1      -9.304   1.941  -1.382  1.00  0.00           N  
HETATM   18  C   UNL     1      -9.912   0.621  -1.164  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.409   0.043   0.163  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.889   2.603  -2.555  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.924  -2.198   0.075  1.00  0.00           C  
HETATM   22  C   UNL     1       0.549  -2.192   0.055  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.527  -3.254   0.108  1.00  0.00           O  
HETATM   24  N   UNL     1       1.255  -1.070   0.023  1.00  0.00           N  
HETATM   25  C   UNL     1       2.545  -1.214   0.009  1.00  0.00           C  
HETATM   26  S   UNL     1       2.942  -2.928   0.038  1.00  0.00           S  
HETATM   27  C   UNL     1       1.280  -3.329   0.073  1.00  0.00           C  
HETATM   28  C   UNL     1       3.529  -0.109  -0.025  1.00  0.00           C  
HETATM   29  C   UNL     1       3.091   1.217  -0.040  1.00  0.00           C  
HETATM   30  C   UNL     1       4.008   2.250  -0.073  1.00  0.00           C  
HETATM   31  C   UNL     1       5.361   1.979  -0.091  1.00  0.00           C  
HETATM   32  C   UNL     1       5.812   0.657  -0.076  1.00  0.00           C  
HETATM   33  C   UNL     1       4.893  -0.389  -0.037  1.00  0.00           C  
HETATM   34  C   UNL     1       7.262   0.369  -0.097  1.00  0.00           C  
HETATM   35  N   UNL     1       8.150   1.382  -0.129  1.00  0.00           N  
HETATM   36  O   UNL     1       7.653  -0.782  -0.084  1.00  0.00           O  
HETATM   37  C   UNL     1       9.517   1.111  -0.253  1.00  0.00           C  
HETATM   38  C   UNL     1       9.945   0.030  -1.013  1.00  0.00           C  
HETATM   39  C   UNL     1      11.295  -0.235  -1.134  1.00  0.00           C  
HETATM   40  C   UNL     1      12.220   0.574  -0.499  1.00  0.00           C  
HETATM   41  C   UNL     1      11.796   1.650   0.259  1.00  0.00           C  
HETATM   42  C   UNL     1      10.448   1.924   0.379  1.00  0.00           C  
HETATM   43  H   UNL     1      -5.553   0.930   1.174  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.201  -3.003  -0.678  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.651  -3.016  -0.511  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.505   1.785   2.296  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.934   3.415   2.073  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.315   3.794   3.131  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.356   2.320   3.411  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.422   3.575   0.073  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.905   2.595  -0.014  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.803   3.954   1.131  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.415   2.045   0.598  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.190   1.128  -0.318  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.124  -0.195  -0.026  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.429   2.826  -1.721  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.594   1.156  -2.318  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.997   0.721  -1.130  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.634  -0.046  -1.980  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.766  -0.981   0.275  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.774   0.653   0.989  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.961   2.732  -2.403  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.421   3.578  -2.693  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.720   1.990  -3.441  1.00  0.00           H  
HETATM   65  H   UNL     1       0.878  -4.331   0.103  1.00  0.00           H  
HETATM   66  H   UNL     1       2.033   1.435  -0.026  1.00  0.00           H  
HETATM   67  H   UNL     1       3.664   3.273  -0.085  1.00  0.00           H  
HETATM   68  H   UNL     1       6.073   2.791  -0.116  1.00  0.00           H  
HETATM   69  H   UNL     1       5.236  -1.413  -0.022  1.00  0.00           H  
HETATM   70  H   UNL     1       7.842   2.300  -0.067  1.00  0.00           H  
HETATM   71  H   UNL     1       9.224  -0.603  -1.509  1.00  0.00           H  
HETATM   72  H   UNL     1      11.629  -1.075  -1.725  1.00  0.00           H  
HETATM   73  H   UNL     1      13.275   0.364  -0.594  1.00  0.00           H  
HETATM   74  H   UNL     1      12.521   2.280   0.755  1.00  0.00           H  
HETATM   75  H   UNL     1      10.118   2.768   0.967  1.00  0.00           H  
CONECT    1    7    2    2    6                                       
CONECT    2    1    1    3   43                                       
CONECT    3    2   15    4    4                                       
CONECT    4    3    3    5   14                                       
CONECT    5    6    6    4   44                                       
CONECT    6    1    5    5   45                                       
CONECT    7   12   12   13    1                                       
CONECT    8   10    9   15   46                                       
CONECT    9    8   47   48   49                                       
CONECT   10    8   50   51   52                                       
CONECT   11   13   16   53   54                                       
CONECT   12    7    7                                                 
CONECT   13    7   19   11                                            
CONECT   14    4   21   55                                            
CONECT   15    8    3                                                 
CONECT   16   11   17   56   57                                       
CONECT   17   18   16   20                                            
CONECT   18   19   17   58   59                                       
CONECT   19   13   18   60   61                                       
CONECT   20   17   62   63   64                                       
CONECT   21   14   22   23   23                                       
CONECT   22   24   21   27   27                                       
CONECT   23   21   21                                                 
CONECT   24   25   25   22                                            
CONECT   25   28   24   24   26                                       
CONECT   26   25   27                                                 
CONECT   27   22   22   26   65                                       
CONECT   28   29   29   25   33                                       
CONECT   29   30   28   28   66                                       
CONECT   30   29   31   31   67                                       
CONECT   31   30   30   32   68                                       
CONECT   32   31   33   33   34                                       
CONECT   33   28   32   32   69                                       
CONECT   34   32   35   36   36                                       
CONECT   35   34   37   70                                            
CONECT   36   34   34                                                 
CONECT   37   35   38   38   42                                       
CONECT   38   37   37   39   71                                       
CONECT   39   38   40   40   72                                       
CONECT   40   39   39   41   73                                       
CONECT   41   42   42   40   74                                       
CONECT   42   37   41   41   75                                       
CONECT   43    2                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   14                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   27                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   33                                                      
CONECT   70   35                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
CONECT   73   40                                                      
CONECT   74   41                                                      
CONECT   75   42                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
