COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.455  -0.677  -1.484  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.042  -1.842  -0.836  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.992  -2.754  -0.375  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.709   1.715  -1.534  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.565   3.947  -1.350  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.881   1.538  -0.169  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.157   4.835   0.985  1.00  0.00           C  
HETATM    8  C   UNL     1       0.398  -2.109  -0.638  1.00  0.00           C  
HETATM    9  C   UNL     1       4.946  -2.261  -0.388  1.00  0.00           C  
HETATM   10  C   UNL     1       6.074  -0.291  -1.424  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.341  -2.500  -0.563  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.747  -1.341  -1.208  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.806  -0.429  -1.663  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.209   0.705  -2.294  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.052   2.924  -2.123  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.726   3.771   0.013  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.389   2.566   0.601  1.00  0.00           C  
HETATM   18  S   UNL     1      -5.361   5.085   1.000  1.00  0.00           S  
HETATM   19  O   UNL     1      -5.015   6.261   0.282  1.00  0.00           O  
HETATM   20  O   UNL     1      -4.833   4.836   2.296  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.267  -3.388  -0.115  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.783  -4.519   0.611  1.00  0.00           C  
HETATM   23  N   UNL     1       1.315  -1.227  -1.085  1.00  0.00           N  
HETATM   24  O   UNL     1       0.756  -3.124  -0.074  1.00  0.00           O  
HETATM   25  C   UNL     1       2.668  -1.478  -0.899  1.00  0.00           C  
HETATM   26  N   UNL     1       3.628  -0.699  -1.288  1.00  0.00           N  
HETATM   27  C   UNL     1       4.861  -1.094  -1.028  1.00  0.00           C  
HETATM   28  S   UNL     1       3.311  -2.862  -0.126  1.00  0.00           S  
HETATM   29  P   UNL     1       6.510   0.856  -0.075  1.00  0.00           P  
HETATM   30  O   UNL     1       6.960   0.014   1.221  1.00  0.00           O  
HETATM   31  O   UNL     1       7.722   1.803  -0.548  1.00  0.00           O  
HETATM   32  O   UNL     1       5.334   1.690   0.262  1.00  0.00           O  
HETATM   33  C   UNL     1       7.264   0.622   2.477  1.00  0.00           C  
HETATM   34  C   UNL     1       8.224   2.879   0.247  1.00  0.00           C  
HETATM   35  C   UNL     1       7.655  -0.459   3.487  1.00  0.00           C  
HETATM   36  C   UNL     1       9.370   3.570  -0.495  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.556  -4.128   2.072  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.813  -5.649   0.539  1.00  0.00           C  
HETATM   39  O   UNL     1      -6.007  -5.249   1.214  1.00  0.00           O  
HETATM   40  C   UNL     1      -7.038  -6.238   1.206  1.00  0.00           C  
HETATM   41  H   UNL     1      -0.722   0.031  -1.842  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.677  -3.657   0.126  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.829   4.889  -1.807  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.618   0.597   0.291  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.392   3.858   1.408  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.637   5.613   1.579  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.523   4.884  -0.041  1.00  0.00           H  
HETATM   48  H   UNL     1       5.859  -2.754  -0.087  1.00  0.00           H  
HETATM   49  H   UNL     1       6.909  -0.965  -1.612  1.00  0.00           H  
HETATM   50  H   UNL     1       5.854   0.277  -2.328  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.800  -1.144  -1.349  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.919   3.064  -3.186  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.523   2.428   1.664  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.843  -4.856   0.174  1.00  0.00           H  
HETATM   55  H   UNL     1       1.029  -0.417  -1.535  1.00  0.00           H  
HETATM   56  H   UNL     1       8.092   1.319   2.353  1.00  0.00           H  
HETATM   57  H   UNL     1       6.388   1.160   2.842  1.00  0.00           H  
HETATM   58  H   UNL     1       7.426   3.598   0.433  1.00  0.00           H  
HETATM   59  H   UNL     1       8.590   2.489   1.197  1.00  0.00           H  
HETATM   60  H   UNL     1       7.886   0.005   4.445  1.00  0.00           H  
HETATM   61  H   UNL     1       6.826  -1.156   3.611  1.00  0.00           H  
HETATM   62  H   UNL     1       8.530  -0.997   3.122  1.00  0.00           H  
HETATM   63  H   UNL     1       9.753   4.391   0.112  1.00  0.00           H  
HETATM   64  H   UNL     1      10.168   2.852  -0.680  1.00  0.00           H  
HETATM   65  H   UNL     1       9.004   3.961  -1.445  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.823  -3.323   2.124  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.496  -3.792   2.509  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.187  -4.992   2.626  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.041  -5.867  -0.504  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.407  -6.541   1.016  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.910  -5.858   1.738  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.313  -6.469   0.177  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.679  -7.142   1.697  1.00  0.00           H  
CONECT    1   13    2    2   41                                       
CONECT    2    1    1    3    8                                       
CONECT    3   11   11    2   42                                       
CONECT    4   15   14    6    6                                       
CONECT    5   15   15   16   43                                       
CONECT    6    4    4   17   44                                       
CONECT    7   18   45   46   47                                       
CONECT    8    2   24   24   23                                       
CONECT    9   28   27   27   48                                       
CONECT   10   27   29   49   50                                       
CONECT   11   12   21    3    3                                       
CONECT   12   13   13   11   51                                       
CONECT   13   14   12   12    1                                       
CONECT   14    4   13                                                 
CONECT   15    5    5    4   52                                       
CONECT   16    5   18   17   17                                       
CONECT   17   16   16    6   53                                       
CONECT   18    7   16   20   20                                       
CONECT   18   19   19                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   22   11                                                 
CONECT   22   37   38   21   54                                       
CONECT   23    8   25   55                                            
CONECT   24    8    8                                                 
CONECT   25   23   26   26   28                                       
CONECT   26   25   25   27                                            
CONECT   27   26    9    9   10                                       
CONECT   28   25    9                                                 
CONECT   29   10   31   32   32                                       
CONECT   29   30                                                      
CONECT   30   29   33                                                 
CONECT   31   34   29                                                 
CONECT   32   29   29                                                 
CONECT   33   30   35   56   57                                       
CONECT   34   36   31   58   59                                       
CONECT   35   33   60   61   62                                       
CONECT   36   34   63   64   65                                       
CONECT   37   22   66   67   68                                       
CONECT   38   22   39   69   70                                       
CONECT   39   40   38                                                 
CONECT   40   39   71   72   73                                       
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   12                                                      
CONECT   52   15                                                      
CONECT   53   17                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   33                                                      
CONECT   57   33                                                      
CONECT   58   34                                                      
CONECT   59   34                                                      
CONECT   60   35                                                      
CONECT   61   35                                                      
CONECT   62   35                                                      
CONECT   63   36                                                      
CONECT   64   36                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
CONECT   69   38                                                      
CONECT   70   38                                                      
CONECT   71   40                                                      
CONECT   72   40                                                      
CONECT   73   40                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
