COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.591   3.462  -0.751  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.797   1.421  -0.508  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.070  -1.059  -0.639  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.867   0.128   0.305  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.563  -0.057   1.083  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.656   0.342   0.404  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.033   0.451   0.104  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.855   0.523  -1.268  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.480   0.420  -0.972  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.223  -0.294   0.680  1.00  0.00           C  
HETATM   11  C   UNL     1       1.189  -0.548   0.445  1.00  0.00           C  
HETATM   12  C   UNL     1       1.447  -2.037   0.685  1.00  0.00           C  
HETATM   13  C   UNL     1       0.478  -2.558   1.748  1.00  0.00           C  
HETATM   14  C   UNL     1       0.651  -4.071   1.898  1.00  0.00           C  
HETATM   15  C   UNL     1       0.773  -1.875   3.085  1.00  0.00           C  
HETATM   16  C   UNL     1       2.222  -0.007  -0.510  1.00  0.00           C  
HETATM   17  C   UNL     1       4.534   0.463  -1.120  1.00  0.00           C  
HETATM   18  C   UNL     1       5.624   1.193  -0.332  1.00  0.00           C  
HETATM   19  C   UNL     1       5.029   2.441   0.324  1.00  0.00           C  
HETATM   20  C   UNL     1       5.159  -0.693  -1.904  1.00  0.00           C  
HETATM   21  C   UNL     1       6.085   3.173   1.122  1.00  0.00           C  
HETATM   22  C   UNL     1       4.944   4.804  -0.073  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.938   0.355   0.940  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.578   0.510  -1.804  1.00  0.00           C  
HETATM   25  F   UNL     1     -10.928   0.617  -2.083  1.00  0.00           F  
HETATM   26  N   UNL     1      -0.147  -0.370  -0.129  1.00  0.00           N  
HETATM   27  N   UNL     1       3.530  -0.063  -0.191  1.00  0.00           N  
HETATM   28  N   UNL     1       6.018   4.493   0.877  1.00  0.00           N  
HETATM   29  O   UNL     1      -1.084  -0.373   1.884  1.00  0.00           O  
HETATM   30  O   UNL     1       6.877   2.646   1.875  1.00  0.00           O  
HETATM   31  O   UNL     1       4.163  -1.302  -2.729  1.00  0.00           O  
HETATM   32  O   UNL     1       1.875   0.479  -1.566  1.00  0.00           O  
HETATM   33  O   UNL     1      -2.451  -0.131   0.153  1.00  0.00           O  
HETATM   34  S   UNL     1      -6.257   0.220   1.468  1.00  0.00           S  
HETATM   35  H   UNL     1       5.160   3.328  -1.671  1.00  0.00           H  
HETATM   36  H   UNL     1       3.521   3.391  -0.944  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.187   1.259  -1.397  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.802   1.718  -0.807  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.351   2.209   0.099  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.359  -0.993  -1.463  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.911  -1.989  -0.094  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.086  -1.039  -1.034  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.418   0.788   1.756  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.613  -0.979   1.663  1.00  0.00           H  
HETATM   45  H   UNL     1     -11.030   0.460   0.519  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.484   0.411  -1.390  1.00  0.00           H  
HETATM   47  H   UNL     1       1.253  -0.011   1.391  1.00  0.00           H  
HETATM   48  H   UNL     1       1.297  -2.586  -0.245  1.00  0.00           H  
HETATM   49  H   UNL     1       2.473  -2.177   1.028  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.545  -2.337   1.445  1.00  0.00           H  
HETATM   51  H   UNL     1       1.675  -4.291   2.201  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.039  -4.442   2.656  1.00  0.00           H  
HETATM   53  H   UNL     1       0.441  -4.557   0.946  1.00  0.00           H  
HETATM   54  H   UNL     1       0.650  -0.798   2.978  1.00  0.00           H  
HETATM   55  H   UNL     1       0.083  -2.246   3.842  1.00  0.00           H  
HETATM   56  H   UNL     1       1.797  -2.096   3.387  1.00  0.00           H  
HETATM   57  H   UNL     1       4.059   1.158  -1.812  1.00  0.00           H  
HETATM   58  H   UNL     1       6.021   0.532   0.438  1.00  0.00           H  
HETATM   59  H   UNL     1       6.426   1.486  -1.009  1.00  0.00           H  
HETATM   60  H   UNL     1       4.186   2.171   0.960  1.00  0.00           H  
HETATM   61  H   UNL     1       5.966  -0.312  -2.530  1.00  0.00           H  
HETATM   62  H   UNL     1       5.293   5.522  -0.816  1.00  0.00           H  
HETATM   63  H   UNL     1       4.076   5.200   0.455  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.078   0.289   2.008  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.442   0.566  -2.874  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.258  -0.308  -1.090  1.00  0.00           H  
HETATM   67  H   UNL     1       3.807  -0.452   0.653  1.00  0.00           H  
HETATM   68  H   UNL     1       6.605   5.155   1.276  1.00  0.00           H  
HETATM   69  H   UNL     1       3.413  -1.663  -2.238  1.00  0.00           H  
HETATM   70  S   UNL     1       5.819  -1.922  -0.745  1.00  0.00           S  
HETATM   71  O   UNL     1       6.940  -1.398  -0.047  1.00  0.00           O  
HETATM   72  O   UNL     1       4.763  -2.572  -0.052  1.00  0.00           O  
HETATM   73  O   UNL     1       6.406  -3.007  -1.637  1.00  0.00           O  
HETATM   74  H   UNL     1       6.802  -3.744  -1.151  1.00  0.00           H  
CONECT    1   19   22   35   36                                       
CONECT    2    4   37   38   39                                       
CONECT    3    4   40   41   42                                       
CONECT    4   34    2    5    3                                       
CONECT    5    4   33   43   44                                       
CONECT    6    9    9   23   34                                       
CONECT    7    8   23   23   45                                       
CONECT    8   25   24   24    7                                       
CONECT    9   24    6    6   46                                       
CONECT   10   26   29   29   33                                       
CONECT   11   12   26   16   47                                       
CONECT   12   13   11   48   49                                       
CONECT   13   15   14   12   50                                       
CONECT   14   13   51   52   53                                       
CONECT   15   13   54   55   56                                       
CONECT   16   11   32   32   27                                       
CONECT   17   27   20   18   57                                       
CONECT   18   17   19   58   59                                       
CONECT   19   18    1   21   60                                       
CONECT   20   31   17   61   70                                       
CONECT   21   19   30   30   28                                       
CONECT   22    1   28   62   63                                       
CONECT   23    7    7    6   64                                       
CONECT   24    8    8    9   65                                       
CONECT   25    8                                                      
CONECT   26   11   10   66                                            
CONECT   27   16   17   67                                            
CONECT   28   22   21   68                                            
CONECT   29   10   10                                                 
CONECT   30   21   21                                                 
CONECT   31   20   69                                                 
CONECT   32   16   16                                                 
CONECT   33   10    5                                                 
CONECT   34    6    4                                                 
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    7                                                      
CONECT   46    9                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   31                                                      
CONECT   70   20   71   71   72                                       
CONECT   70   72   73                                                 
CONECT   71   70   70                                                 
CONECT   72   70   70                                                 
CONECT   73   70   74                                                 
CONECT   74   73                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
