COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.673   3.601   1.656  1.00  0.00           C  
HETATM    2  O   UNL     1     -10.565   2.826   1.941  1.00  0.00           O  
HETATM    3  C   UNL     1      -8.484   3.122   1.074  1.00  0.00           C  
HETATM    4  S   UNL     1      -8.145   1.437   0.703  1.00  0.00           S  
HETATM    5  C   UNL     1      -7.414   3.900   0.705  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.371   3.212   0.160  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.560   1.859   0.068  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.584   0.901  -0.482  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.016  -0.057   0.312  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.200   0.946  -1.902  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.681   1.776  -2.649  1.00  0.00           O  
HETATM   12  N   UNL     1      -4.302   0.046  -2.357  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.775  -0.868  -1.524  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.969  -1.667  -1.959  1.00  0.00           O  
HETATM   15  N   UNL     1      -4.117  -0.928  -0.227  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.510  -1.952   0.627  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.076  -1.968   0.462  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.942  -3.369   0.171  1.00  0.00           C  
HETATM   19  O   UNL     1      -5.183  -3.743   0.772  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.783  -4.248   0.702  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.142  -4.849   1.948  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.617  -3.259   0.896  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.419  -3.696   0.052  1.00  0.00           C  
HETATM   24  O   UNL     1       0.689  -2.832   0.314  1.00  0.00           O  
HETATM   25  P   UNL     1       2.121  -2.999  -0.403  1.00  0.00           P  
HETATM   26  O   UNL     1       2.786  -4.395   0.047  1.00  0.00           O  
HETATM   27  O   UNL     1       1.941  -2.989  -1.872  1.00  0.00           O  
HETATM   28  O   UNL     1       3.082  -1.782   0.028  1.00  0.00           O  
HETATM   29  P   UNL     1       4.418  -1.136  -0.598  1.00  0.00           P  
HETATM   30  O   UNL     1       4.247  -0.969  -2.058  1.00  0.00           O  
HETATM   31  O   UNL     1       5.669  -2.107  -0.312  1.00  0.00           O  
HETATM   32  O   UNL     1       4.687   0.300   0.079  1.00  0.00           O  
HETATM   33  C   UNL     1       5.739   1.172  -0.338  1.00  0.00           C  
HETATM   34  O   UNL     1       5.260   2.039  -1.368  1.00  0.00           O  
HETATM   35  C   UNL     1       4.146   2.845  -0.980  1.00  0.00           C  
HETATM   36  C   UNL     1       3.703   3.707  -2.165  1.00  0.00           C  
HETATM   37  O   UNL     1       3.214   2.864  -3.210  1.00  0.00           O  
HETATM   38  C   UNL     1       4.553   3.750   0.185  1.00  0.00           C  
HETATM   39  O   UNL     1       5.597   4.630  -0.236  1.00  0.00           O  
HETATM   40  C   UNL     1       5.052   2.882   1.345  1.00  0.00           C  
HETATM   41  O   UNL     1       5.503   3.721   2.410  1.00  0.00           O  
HETATM   42  C   UNL     1       6.211   2.009   0.854  1.00  0.00           C  
HETATM   43  N   UNL     1       6.648   1.121   1.934  1.00  0.00           N  
HETATM   44  C   UNL     1       7.908   0.643   1.946  1.00  0.00           C  
HETATM   45  C   UNL     1       8.356  -0.270   3.057  1.00  0.00           C  
HETATM   46  O   UNL     1       8.680   0.947   1.062  1.00  0.00           O  
HETATM   47  H   UNL     1      -9.795   4.658   1.843  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.400   4.972   0.837  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.466   3.697  -0.175  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.277  -0.122   1.358  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.036   0.060  -3.290  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.777  -1.787   1.671  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.006  -3.425  -0.916  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.495  -4.622   0.517  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.519  -5.014  -0.028  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.908  -5.437   1.895  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.337  -3.219   1.949  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.148  -4.721   0.307  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.679  -3.642  -1.005  1.00  0.00           H  
HETATM   60  H   UNL     1       2.933  -4.471   0.999  1.00  0.00           H  
HETATM   61  H   UNL     1       5.840  -2.262   0.628  1.00  0.00           H  
HETATM   62  H   UNL     1       6.572   0.580  -0.719  1.00  0.00           H  
HETATM   63  H   UNL     1       3.322   2.202  -0.671  1.00  0.00           H  
HETATM   64  H   UNL     1       2.912   4.385  -1.845  1.00  0.00           H  
HETATM   65  H   UNL     1       4.551   4.285  -2.531  1.00  0.00           H  
HETATM   66  H   UNL     1       2.915   3.344  -3.995  1.00  0.00           H  
HETATM   67  H   UNL     1       3.693   4.334   0.511  1.00  0.00           H  
HETATM   68  H   UNL     1       5.352   5.207  -0.972  1.00  0.00           H  
HETATM   69  H   UNL     1       4.241   2.245   1.699  1.00  0.00           H  
HETATM   70  H   UNL     1       4.821   4.306   2.766  1.00  0.00           H  
HETATM   71  H   UNL     1       7.041   2.645   0.546  1.00  0.00           H  
HETATM   72  H   UNL     1       6.030   0.878   2.641  1.00  0.00           H  
HETATM   73  H   UNL     1       7.532  -0.429   3.752  1.00  0.00           H  
HETATM   74  H   UNL     1       8.667  -1.227   2.638  1.00  0.00           H  
HETATM   75  H   UNL     1       9.195   0.185   3.585  1.00  0.00           H  
CONECT    1    3    2    2   47                                       
CONECT    2    1    1                                                 
CONECT    3    5    5    1    4                                       
CONECT    4    3    7                                                 
CONECT    5    6    3    3   48                                       
CONECT    6    5    7    7   49                                       
CONECT    7    6    6    8    4                                       
CONECT    8    9    9    7   10                                       
CONECT    9   15    8    8   50                                       
CONECT   10    8   12   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   13   10   51                                            
CONECT   13   15   14   14   12                                       
CONECT   14   13   13                                                 
CONECT   15   16    9   13                                            
CONECT   16   17   15   18   52                                       
CONECT   17   22   16                                                 
CONECT   18   16   20   19   53                                       
CONECT   19   18   54                                                 
CONECT   20   22   21   18   55                                       
CONECT   21   20   56                                                 
CONECT   22   23   17   20   57                                       
CONECT   23   24   22   58   59                                       
CONECT   24   23   25                                                 
CONECT   25   28   24   27   27                                       
CONECT   25   26                                                      
CONECT   26   25   60                                                 
CONECT   27   25   25                                                 
CONECT   28   29   25                                                 
CONECT   29   32   30   30   28                                       
CONECT   29   31                                                      
CONECT   30   29   29                                                 
CONECT   31   29   61                                                 
CONECT   32   33   29                                                 
CONECT   33   34   42   32   62                                       
CONECT   34   35   33                                                 
CONECT   35   36   38   34   63                                       
CONECT   36   37   35   64   65                                       
CONECT   37   36   66                                                 
CONECT   38   39   35   40   67                                       
CONECT   39   38   68                                                 
CONECT   40   38   41   42   69                                       
CONECT   41   40   70                                                 
CONECT   42   40   33   43   71                                       
CONECT   43   42   44   72                                            
CONECT   44   46   46   43   45                                       
CONECT   45   44   73   74   75                                       
CONECT   46   44   44                                                 
CONECT   47    1                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    9                                                      
CONECT   51   12                                                      
CONECT   52   16                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   26                                                      
CONECT   61   31                                                      
CONECT   62   33                                                      
CONECT   63   35                                                      
CONECT   64   36                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   38                                                      
CONECT   68   39                                                      
CONECT   69   40                                                      
CONECT   70   41                                                      
CONECT   71   42                                                      
CONECT   72   43                                                      
CONECT   73   45                                                      
CONECT   74   45                                                      
CONECT   75   45                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
