COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.510   0.781  -0.708  1.00  0.00           C  
HETATM    2  C   UNL     1       8.160  -0.559  -1.358  1.00  0.00           C  
HETATM    3  C   UNL     1       6.988  -1.198  -0.611  1.00  0.00           C  
HETATM    4  C   UNL     1       5.775  -0.268  -0.674  1.00  0.00           C  
HETATM    5  C   UNL     1       4.603  -0.907   0.073  1.00  0.00           C  
HETATM    6  C   UNL     1       2.292  -0.506   0.515  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.094  -0.302   0.966  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.142  -0.004   2.466  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.408  -0.618   3.067  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.340  -2.142   2.953  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.517  -0.221   4.541  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.262   0.363   0.284  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.590   0.377  -0.434  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.620  -0.707  -0.759  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.017  -1.703  -1.751  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.883  -2.470  -1.108  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.706  -3.908  -1.108  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.051  -2.793  -2.119  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.249   1.471   0.408  1.00  0.00           C  
HETATM   20  C   UNL     1       6.125   1.072  -0.023  1.00  0.00           C  
HETATM   21  C   UNL     1       7.297   1.711  -0.771  1.00  0.00           C  
HETATM   22  F   UNL     1       8.868   0.571   0.629  1.00  0.00           F  
HETATM   23  F   UNL     1       9.582   1.365  -1.391  1.00  0.00           F  
HETATM   24  N   UNL     1       1.158   0.214   0.406  1.00  0.00           N  
HETATM   25  N   UNL     1      -2.479  -0.215   0.315  1.00  0.00           N  
HETATM   26  N   UNL     1      -3.294  -3.702  -0.763  1.00  0.00           N  
HETATM   27  O   UNL     1       3.419  -0.081  -0.086  1.00  0.00           O  
HETATM   28  O   UNL     1      -1.764  -2.036  -0.930  1.00  0.00           O  
HETATM   29  O   UNL     1      -3.260   2.419   0.815  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.106   1.418  -0.294  1.00  0.00           O  
HETATM   31  O   UNL     1       2.297  -1.539   1.155  1.00  0.00           O  
HETATM   32  H   UNL     1       7.882  -0.396  -2.399  1.00  0.00           H  
HETATM   33  H   UNL     1       9.025  -1.222  -1.313  1.00  0.00           H  
HETATM   34  H   UNL     1       6.739  -2.152  -1.074  1.00  0.00           H  
HETATM   35  H   UNL     1       7.267  -1.361   0.430  1.00  0.00           H  
HETATM   36  H   UNL     1       5.496  -0.104  -1.715  1.00  0.00           H  
HETATM   37  H   UNL     1       4.411  -1.900  -0.333  1.00  0.00           H  
HETATM   38  H   UNL     1       4.848  -0.989   1.132  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.146  -1.379   0.808  1.00  0.00           H  
HETATM   40  H   UNL     1       0.735  -0.433   2.950  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.152   1.075   2.622  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.282  -0.251   2.527  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.510  -2.514   3.552  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.273  -2.575   3.314  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.190  -2.421   1.910  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.565   0.865   4.623  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.419  -0.658   4.969  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.644  -0.588   5.081  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.214   0.809  -1.361  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.899  -1.229   0.157  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.505  -0.247  -1.198  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.670  -1.186  -2.645  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.329  -3.816  -0.218  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.843  -4.888  -1.565  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.068  -2.432  -1.970  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.907  -3.137  -3.143  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.707   1.023   1.291  1.00  0.00           H  
HETATM   58  H   UNL     1       5.261   1.735  -0.069  1.00  0.00           H  
HETATM   59  H   UNL     1       6.404   0.909   1.018  1.00  0.00           H  
HETATM   60  H   UNL     1       7.547   2.666  -0.308  1.00  0.00           H  
HETATM   61  H   UNL     1       7.019   1.874  -1.812  1.00  0.00           H  
HETATM   62  H   UNL     1       1.170   1.073  -0.044  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.619  -1.022   0.835  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.731  -4.369  -0.341  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.546   2.041   1.346  1.00  0.00           H  
HETATM   66  S   UNL     1      -5.522   2.308  -0.576  1.00  0.00           S  
HETATM   67  O   UNL     1      -6.108   3.369   0.166  1.00  0.00           O  
HETATM   68  O   UNL     1      -5.071   2.507  -1.909  1.00  0.00           O  
HETATM   69  O   UNL     1      -6.637   1.281  -0.707  1.00  0.00           O  
HETATM   70  H   UNL     1      -7.399   1.590  -1.216  1.00  0.00           H  
CONECT    1   21   22    2   23                                       
CONECT    2    3    1   32   33                                       
CONECT    3    4    2   34   35                                       
CONECT    4    5   20    3   36                                       
CONECT    5   27    4   37   38                                       
CONECT    6   27   24   31   31                                       
CONECT    7   12    8   24   39                                       
CONECT    8    7    9   40   41                                       
CONECT    9    8   10   11   42                                       
CONECT   10    9   43   44   45                                       
CONECT   11    9   46   47   48                                       
CONECT   12   30   30   25    7                                       
CONECT   13   19   14   25   49                                       
CONECT   14   13   15   50   51                                       
CONECT   15   18   14   16   52                                       
CONECT   16   26   15   28   28                                       
CONECT   17   18   26   53   54                                       
CONECT   18   17   15   55   56                                       
CONECT   19   29   13   57   66                                       
CONECT   20    4   21   58   59                                       
CONECT   21   20    1   60   61                                       
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    6    7   62                                            
CONECT   25   13   12   63                                            
CONECT   26   17   16   64                                            
CONECT   27    6    5                                                 
CONECT   28   16   16                                                 
CONECT   29   19   65                                                 
CONECT   30   12   12                                                 
CONECT   31    6    6                                                 
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   29                                                      
CONECT   66   19   67   67   68                                       
CONECT   66   68   69                                                 
CONECT   67   66   66                                                 
CONECT   68   66   66                                                 
CONECT   69   66   70                                                 
CONECT   70   69                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
