COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.257   4.435  -1.186  1.00  0.00           C  
HETATM    2  O   UNL     1       5.005   2.882  -1.643  1.00  0.00           O  
HETATM    3  C   UNL     1       2.743   3.031  -0.981  1.00  0.00           C  
HETATM    4  O   UNL     1       1.431   2.833  -1.460  1.00  0.00           O  
HETATM    5  C   UNL     1       0.457   3.572  -0.851  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.764   3.279  -1.416  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.009   3.892  -0.998  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.977   2.831  -0.430  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.347   1.766  -1.466  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.260   0.770  -0.857  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.808  -0.624  -1.100  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.545  -0.961  -0.297  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.754  -0.801   1.209  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.015  -2.359  -0.621  1.00  0.00           C  
HETATM   15  S   UNL     1      -5.956   1.085  -0.919  1.00  0.00           S  
HETATM   16  C   UNL     1      -6.375   0.613  -2.574  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.312   1.558  -3.581  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.643   1.185  -4.883  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.032  -0.126  -5.156  1.00  0.00           C  
HETATM   20  O   UNL     1      -7.356  -0.489  -6.427  1.00  0.00           O  
HETATM   21  C   UNL     1      -7.276   0.521  -7.432  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.090  -1.065  -4.126  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.758  -0.692  -2.823  1.00  0.00           C  
HETATM   24  O   UNL     1      -6.184   2.514  -0.809  1.00  0.00           O  
HETATM   25  O   UNL     1      -6.651   0.180  -0.023  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.373   2.203   0.700  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.591   4.689  -2.182  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.875   5.988  -2.457  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.302   7.147  -1.827  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.640   8.348  -2.082  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.559   8.375  -2.964  1.00  0.00           C  
HETATM   32  O   UNL     1       0.086   9.547  -3.214  1.00  0.00           O  
HETATM   33  C   UNL     1       1.181   9.504  -4.125  1.00  0.00           C  
HETATM   34  P   UNL     1       1.726  11.200  -4.257  1.00  0.00           P  
HETATM   35  O   UNL     1       3.042  11.092  -5.189  1.00  0.00           O  
HETATM   36  O   UNL     1       2.332  11.520  -2.793  1.00  0.00           O  
HETATM   37  O   UNL     1       0.680  12.160  -4.740  1.00  0.00           O  
HETATM   38  C   UNL     1      -0.140   7.201  -3.590  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.802   6.000  -3.335  1.00  0.00           C  
HETATM   40  O   UNL     1       0.655   4.371   0.058  1.00  0.00           O  
HETATM   41  C   UNL     1       3.750   2.197  -1.745  1.00  0.00           C  
HETATM   42  C   UNL     1       4.762   4.246  -1.261  1.00  0.00           C  
HETATM   43  O   UNL     1       5.269   5.178  -2.225  1.00  0.00           O  
HETATM   44  C   UNL     1       4.169   5.929  -2.754  1.00  0.00           C  
HETATM   45  C   UNL     1       2.932   5.094  -2.513  1.00  0.00           C  
HETATM   46  H   UNL     1       2.970   5.109  -0.371  1.00  0.00           H  
HETATM   47  H   UNL     1       2.777   2.773   0.084  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.794   2.596  -2.164  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.739   4.585  -0.191  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.888   3.329  -0.078  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.463   1.229  -1.825  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.865   2.212  -2.321  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.627  -0.749  -2.173  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.623  -1.301  -0.820  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.773  -0.240  -0.597  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.461  -1.538   1.604  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.807  -0.931   1.744  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.135   0.199   1.445  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.711  -3.141  -0.302  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.060  -2.535  -0.114  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.846  -2.471  -1.698  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.009   2.582  -3.379  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.596   1.922  -5.681  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.001   1.473  -6.971  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.242   0.613  -7.935  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.513   0.238  -8.160  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.392  -2.088  -4.333  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.807  -1.432  -2.029  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.490   2.811   1.446  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.608   4.068  -3.087  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.646   4.924  -1.983  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.142   7.135  -1.139  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.971   9.259  -1.591  1.00  0.00           H  
HETATM   74  H   UNL     1       0.857   9.150  -5.109  1.00  0.00           H  
HETATM   75  H   UNL     1       1.993   8.882  -3.733  1.00  0.00           H  
HETATM   76  H   UNL     1       3.514  11.914  -5.441  1.00  0.00           H  
HETATM   77  H   UNL     1       2.675  12.420  -2.607  1.00  0.00           H  
HETATM   78  H   UNL     1       0.700   7.216  -4.279  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.469   5.091  -3.828  1.00  0.00           H  
HETATM   80  H   UNL     1       3.850   1.190  -1.330  1.00  0.00           H  
HETATM   81  H   UNL     1       3.490   2.093  -2.805  1.00  0.00           H  
HETATM   82  H   UNL     1       5.255   4.422  -0.299  1.00  0.00           H  
HETATM   83  H   UNL     1       4.339   6.137  -3.814  1.00  0.00           H  
HETATM   84  H   UNL     1       4.118   6.880  -2.213  1.00  0.00           H  
HETATM   85  H   UNL     1       2.017   5.692  -2.486  1.00  0.00           H  
HETATM   86  H   UNL     1       2.826   4.355  -3.315  1.00  0.00           H  
CONECT    1   45   42    3   46                                       
CONECT    2   42   41                                                 
CONECT    3    1    4   41   47                                       
CONECT    4    3    5                                                 
CONECT    5    4    6   40   40                                       
CONECT    6    5    7   48                                            
CONECT    7    6   27    8   49                                       
CONECT    8    7    9   26   50                                       
CONECT    9    8   10   51   52                                       
CONECT   10    9   15   11                                            
CONECT   11   10   12   53   54                                       
CONECT   12   11   13   14   55                                       
CONECT   13   12   56   57   58                                       
CONECT   14   12   59   60   61                                       
CONECT   15   10   24   24   16                                       
CONECT   15   25   25                                                 
CONECT   16   15   17   17   23                                       
CONECT   17   16   16   18   62                                       
CONECT   18   17   19   19   63                                       
CONECT   19   18   18   20   22                                       
CONECT   20   19   21                                                 
CONECT   21   20   64   65   66                                       
CONECT   22   19   23   23   67                                       
CONECT   23   16   22   22   68                                       
CONECT   24   15   15                                                 
CONECT   25   15   15                                                 
CONECT   26    8   69                                                 
CONECT   27    7   28   70   71                                       
CONECT   28   27   29   29   39                                       
CONECT   29   28   28   30   72                                       
CONECT   30   29   31   31   73                                       
CONECT   31   30   30   32   38                                       
CONECT   32   31   33                                                 
CONECT   33   32   34   74   75                                       
CONECT   34   33   37   37   35                                       
CONECT   34   36                                                      
CONECT   35   34   76                                                 
CONECT   36   34   77                                                 
CONECT   37   34   34                                                 
CONECT   38   31   39   39   78                                       
CONECT   39   28   38   38   79                                       
CONECT   40    5    5                                                 
CONECT   41    2    3   80   81                                       
CONECT   42    1    2   43   82                                       
CONECT   43   42   44                                                 
CONECT   44   43   45   83   84                                       
CONECT   45    1   44   85   86                                       
CONECT   46    1                                                      
CONECT   47    3                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   41                                                      
CONECT   81   41                                                      
CONECT   82   42                                                      
CONECT   83   44                                                      
CONECT   84   44                                                      
CONECT   85   45                                                      
CONECT   86   45                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
