COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.585  -1.653  -1.183  1.00  0.00           C  
HETATM    2  O   UNL     1       1.341  -1.637  -2.131  1.00  0.00           O  
HETATM    3  N   UNL     1      -0.140  -2.758  -0.917  1.00  0.00           N  
HETATM    4  C   UNL     1       0.074  -3.976  -1.702  1.00  0.00           C  
HETATM    5  C   UNL     1       0.567  -5.096  -0.783  1.00  0.00           C  
HETATM    6  S   UNL     1      -0.675  -5.404   0.505  1.00  0.00           S  
HETATM    7  O   UNL     1      -0.136  -6.307   1.461  1.00  0.00           O  
HETATM    8  O   UNL     1      -1.920  -5.697  -0.114  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.134  -2.735   0.157  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.753  -3.745   1.236  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.161   2.531   0.644  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.403   2.374  -0.476  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.042   1.520  -0.528  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.229   1.375  -1.665  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.936   1.797  -1.627  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.500   2.107   0.643  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.313   2.253   1.781  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.380   1.090  -0.528  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.605   1.830   1.744  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.139   1.252   0.591  1.00  0.00           C  
HETATM   21 CL   UNL     1      -9.793   0.726   0.586  1.00  0.00          Cl  
HETATM   22  S   UNL     1      -1.724   2.908  -0.470  1.00  0.00           S  
HETATM   23  O   UNL     1      -1.380   3.116  -1.833  1.00  0.00           O  
HETATM   24  N   UNL     1      -0.800   1.632   0.038  1.00  0.00           N  
HETATM   25  C   UNL     1       0.458  -0.438  -0.300  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.718   0.417  -0.777  1.00  0.00           C  
HETATM   27  N   UNL     1       1.696   0.349  -0.370  1.00  0.00           N  
HETATM   28  O   UNL     1      -1.633   3.884   0.559  1.00  0.00           O  
HETATM   29  C   UNL     1       2.623  -0.234   0.610  1.00  0.00           C  
HETATM   30  C   UNL     1      10.095   1.693  -0.820  1.00  0.00           C  
HETATM   31  N   UNL     1       6.837   0.422   0.300  1.00  0.00           N  
HETATM   32  C   UNL     1       8.056   1.094   0.275  1.00  0.00           C  
HETATM   33  C   UNL     1       8.895   1.012  -0.836  1.00  0.00           C  
HETATM   34  C   UNL     1       6.218   0.720   1.596  1.00  0.00           C  
HETATM   35  C   UNL     1       8.467   1.870   1.358  1.00  0.00           C  
HETATM   36  C   UNL     1       5.997   1.035  -0.736  1.00  0.00           C  
HETATM   37  C   UNL     1       3.941   0.543   0.590  1.00  0.00           C  
HETATM   38  C   UNL     1       4.862   0.018   1.695  1.00  0.00           C  
HETATM   39  N   UNL     1      10.451   2.413   0.227  1.00  0.00           N  
HETATM   40  C   UNL     1       9.684   2.515   1.297  1.00  0.00           C  
HETATM   41  C   UNL     1       4.630   0.350  -0.765  1.00  0.00           C  
HETATM   42  H   UNL     1      -0.863  -4.276  -2.170  1.00  0.00           H  
HETATM   43  H   UNL     1       0.820  -3.784  -2.473  1.00  0.00           H  
HETATM   44  H   UNL     1       0.720  -6.004  -1.366  1.00  0.00           H  
HETATM   45  H   UNL     1       1.507  -4.799  -0.318  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.176  -1.737   0.593  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.111  -2.994  -0.253  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.500  -3.731   2.029  1.00  0.00           H  
HETATM   49  H   UNL     1       0.222  -3.483   1.648  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.734   2.981   1.529  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.629   0.930  -2.564  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.313   1.684  -2.502  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.913   2.698   2.680  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.805   0.637  -1.411  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.228   1.943   2.619  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.313   1.688   0.875  1.00  0.00           H  
HETATM   57  H   UNL     1       0.285  -0.753   0.729  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.643  -0.150  -0.678  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.569   0.690  -1.822  1.00  0.00           H  
HETATM   60  H   UNL     1       2.095   0.182  -1.281  1.00  0.00           H  
HETATM   61  H   UNL     1       2.182  -0.177   1.605  1.00  0.00           H  
HETATM   62  H   UNL     1       2.812  -1.277   0.355  1.00  0.00           H  
HETATM   63  H   UNL     1      10.751   1.635  -1.676  1.00  0.00           H  
HETATM   64  H   UNL     1       8.610   0.425  -1.696  1.00  0.00           H  
HETATM   65  H   UNL     1       6.077   1.796   1.692  1.00  0.00           H  
HETATM   66  H   UNL     1       6.868   0.368   2.397  1.00  0.00           H  
HETATM   67  H   UNL     1       7.845   1.958   2.237  1.00  0.00           H  
HETATM   68  H   UNL     1       5.868   2.095  -0.517  1.00  0.00           H  
HETATM   69  H   UNL     1       6.480   0.922  -1.707  1.00  0.00           H  
HETATM   70  H   UNL     1       3.743   1.602   0.753  1.00  0.00           H  
HETATM   71  H   UNL     1       4.417   0.223   2.669  1.00  0.00           H  
HETATM   72  H   UNL     1       4.999  -1.057   1.575  1.00  0.00           H  
HETATM   73  H   UNL     1      10.013   3.114   2.133  1.00  0.00           H  
HETATM   74  H   UNL     1       4.759  -0.714  -0.959  1.00  0.00           H  
HETATM   75  H   UNL     1       4.018   0.793  -1.551  1.00  0.00           H  
CONECT    1    2    2    3   25                                       
CONECT    2    1    1                                                 
CONECT    3    1    4    9                                            
CONECT    4    3    5   42   43                                       
CONECT    5    4    6   44   45                                       
CONECT    6    5    7    7    8                                       
CONECT    6    8   10                                                 
CONECT    7    6    6                                                 
CONECT    8    6    6                                                 
CONECT    9    3   10   46   47                                       
CONECT   10    6    9   48   49                                       
CONECT   11   12   12   16   50                                       
CONECT   12   11   11   15   22                                       
CONECT   13   14   16   16   18                                       
CONECT   14   13   15   15   51                                       
CONECT   15   12   14   14   52                                       
CONECT   16   11   13   13   17                                       
CONECT   17   16   19   19   53                                       
CONECT   18   13   20   20   54                                       
CONECT   19   17   17   20   55                                       
CONECT   20   18   18   19   21                                       
CONECT   21   20                                                      
CONECT   22   12   23   23   24                                       
CONECT   22   28   28                                                 
CONECT   23   22   22                                                 
CONECT   24   22   26   56                                            
CONECT   25    1   26   27   57                                       
CONECT   26   24   25   58   59                                       
CONECT   27   25   29   60                                            
CONECT   28   22   22                                                 
CONECT   29   27   37   61   62                                       
CONECT   30   33   33   39   63                                       
CONECT   31   32   34   36                                            
CONECT   32   31   33   35   35                                       
CONECT   33   30   30   32   64                                       
CONECT   34   31   38   65   66                                       
CONECT   35   32   32   40   67                                       
CONECT   36   31   41   68   69                                       
CONECT   37   29   38   41   70                                       
CONECT   38   34   37   71   72                                       
CONECT   39   30   40   40                                            
CONECT   40   35   39   39   73                                       
CONECT   41   36   37   74   75                                       
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   38                                                      
CONECT   73   40                                                      
CONECT   74   41                                                      
CONECT   75   41                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
