COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.186   1.261   3.775  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.423   0.662   2.849  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.602  -0.684   2.469  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.507  -1.454   3.107  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.302  -0.831   4.233  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.476   0.324   4.810  1.00  0.00           C  
HETATM    7  O   UNL     1       0.459   1.306   2.315  1.00  0.00           O  
HETATM    8  O   UNL     1      -1.698  -2.741   2.752  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.272   1.017   5.917  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.580   1.562   5.341  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.376   2.255   6.448  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.168  -0.220   5.386  1.00  0.00           C  
HETATM   13  C   UNL     1       0.657   0.934   5.957  1.00  0.00           C  
HETATM   14  C   UNL     1       1.987   0.411   6.436  1.00  0.00           C  
HETATM   15  C   UNL     1       3.095   0.482   5.612  1.00  0.00           C  
HETATM   16  C   UNL     1       4.315   0.003   6.051  1.00  0.00           C  
HETATM   17  C   UNL     1       4.427  -0.546   7.315  1.00  0.00           C  
HETATM   18  C   UNL     1       3.319  -0.616   8.139  1.00  0.00           C  
HETATM   19  C   UNL     1       2.100  -0.133   7.701  1.00  0.00           C  
HETATM   20  C   UNL     1       0.219  -1.264   1.347  1.00  0.00           C  
HETATM   21  C   UNL     1       1.705  -1.059   1.644  1.00  0.00           C  
HETATM   22  C   UNL     1       2.122  -1.962   2.806  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.135  -0.572   0.055  1.00  0.00           C  
HETATM   24  C   UNL     1       0.395   0.672  -0.228  1.00  0.00           C  
HETATM   25  C   UNL     1       0.073   1.311  -1.411  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.780   0.706  -2.314  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.314  -0.543  -2.031  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.177  -1.157  -2.942  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.984  -1.184  -0.844  1.00  0.00           C  
HETATM   30  S   UNL     1      -2.565  -0.394  -4.359  1.00  0.00           S  
HETATM   31  O   UNL     1      -3.302  -1.342  -5.119  1.00  0.00           O  
HETATM   32  O   UNL     1      -3.024   0.898  -3.989  1.00  0.00           O  
HETATM   33  C   UNL     1      -1.064  -0.134  -5.245  1.00  0.00           C  
HETATM   34  N   UNL     1      -0.385   0.981  -5.064  1.00  0.00           N  
HETATM   35  C   UNL     1       0.744   1.216  -5.701  1.00  0.00           C  
HETATM   36  C   UNL     1       1.255   0.297  -6.597  1.00  0.00           C  
HETATM   37  C   UNL     1       0.566  -0.885  -6.818  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.615  -1.100  -6.126  1.00  0.00           C  
HETATM   39  C   UNL     1       2.545   0.577  -7.325  1.00  0.00           C  
HETATM   40  F   UNL     1       3.041   1.825  -6.933  1.00  0.00           F  
HETATM   41  F   UNL     1       3.480  -0.415  -7.014  1.00  0.00           F  
HETATM   42  F   UNL     1       2.310   0.581  -8.705  1.00  0.00           F  
HETATM   43  H   UNL     1      -2.487  -1.574   5.009  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.250  -0.452   3.850  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.244  -3.101   1.978  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.685   1.840   6.326  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.494   0.301   6.708  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.167   0.740   4.932  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.358   2.279   4.550  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.308   2.643   6.038  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.598   1.539   7.239  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.789   3.077   6.858  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.390  -0.935   6.179  1.00  0.00           H  
HETATM   54  H   UNL     1       0.397  -0.716   4.597  1.00  0.00           H  
HETATM   55  H   UNL     1       0.819   1.683   5.181  1.00  0.00           H  
HETATM   56  H   UNL     1       0.122   1.385   6.792  1.00  0.00           H  
HETATM   57  H   UNL     1       3.007   0.912   4.625  1.00  0.00           H  
HETATM   58  H   UNL     1       5.180   0.057   5.407  1.00  0.00           H  
HETATM   59  H   UNL     1       5.380  -0.921   7.658  1.00  0.00           H  
HETATM   60  H   UNL     1       3.407  -1.046   9.126  1.00  0.00           H  
HETATM   61  H   UNL     1       1.235  -0.188   8.345  1.00  0.00           H  
HETATM   62  H   UNL     1       0.010  -2.330   1.256  1.00  0.00           H  
HETATM   63  H   UNL     1       2.291  -1.310   0.760  1.00  0.00           H  
HETATM   64  H   UNL     1       1.882  -0.017   1.912  1.00  0.00           H  
HETATM   65  H   UNL     1       3.174  -1.794   3.038  1.00  0.00           H  
HETATM   66  H   UNL     1       1.516  -1.731   3.682  1.00  0.00           H  
HETATM   67  H   UNL     1       1.973  -3.005   2.527  1.00  0.00           H  
HETATM   68  H   UNL     1       1.063   1.147   0.475  1.00  0.00           H  
HETATM   69  H   UNL     1       0.488   2.283  -1.630  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.032   1.206  -3.237  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.550  -2.031  -2.744  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.397  -2.157  -0.621  1.00  0.00           H  
HETATM   73  H   UNL     1       1.274   2.140  -5.523  1.00  0.00           H  
HETATM   74  H   UNL     1       0.942  -1.622  -7.513  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.177  -2.010  -6.273  1.00  0.00           H  
CONECT    1    2    6                                                 
CONECT    2    1    3    7    7                                       
CONECT    3    2    4    4   20                                       
CONECT    4    3    3    5    8                                       
CONECT    5    4    6   43   44                                       
CONECT    6    1    5    9   12                                       
CONECT    7    2    2                                                 
CONECT    8    4   45                                                 
CONECT    9    6   10   46   47                                       
CONECT   10    9   11   48   49                                       
CONECT   11   10   50   51   52                                       
CONECT   12    6   13   53   54                                       
CONECT   13   12   14   55   56                                       
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   16   57                                       
CONECT   16   15   17   17   58                                       
CONECT   17   16   16   18   59                                       
CONECT   18   17   19   19   60                                       
CONECT   19   14   18   18   61                                       
CONECT   20    3   21   23   62                                       
CONECT   21   20   22   63   64                                       
CONECT   22   21   65   66   67                                       
CONECT   23   20   24   24   29                                       
CONECT   24   23   23   25   68                                       
CONECT   25   24   26   26   69                                       
CONECT   26   25   25   27   70                                       
CONECT   27   26   28   29   29                                       
CONECT   28   27   30   71                                            
CONECT   29   23   27   27   72                                       
CONECT   30   28   31   31   32                                       
CONECT   30   32   33                                                 
CONECT   31   30   30                                                 
CONECT   32   30   30                                                 
CONECT   33   30   34   34   38                                       
CONECT   34   33   33   35                                            
CONECT   35   34   36   36   73                                       
CONECT   36   35   35   37   39                                       
CONECT   37   36   38   38   74                                       
CONECT   38   33   37   37   75                                       
CONECT   39   36   40   41   42                                       
CONECT   40   39                                                      
CONECT   41   39                                                      
CONECT   42   39                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   35                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
