COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.184  -3.503   0.575  1.00  0.00           C  
HETATM    2  C   UNL     1       1.588  -4.551  -1.482  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.690  -4.682   0.186  1.00  0.00           C  
HETATM    4  C   UNL     1       2.976  -4.980  -1.963  1.00  0.00           C  
HETATM    5  C   UNL     1       2.800  -3.655  -1.217  1.00  0.00           C  
HETATM    6  C   UNL     1       0.114  -1.458  -1.539  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.196   0.801   0.607  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.847  -5.420   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.083  -4.844   0.185  1.00  0.00           C  
HETATM   10  C   UNL     1       3.820   2.914   0.798  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.675  -0.614   0.860  1.00  0.00           C  
HETATM   12  C   UNL     1       5.194   2.858   0.539  1.00  0.00           C  
HETATM   13  C   UNL     1       0.693   1.163  -0.292  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.677   1.783  -0.342  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.762   1.082   0.154  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.036   1.618   0.087  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.224   2.880  -0.450  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.131   3.597  -0.921  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.863   3.046  -0.872  1.00  0.00           C  
HETATM   20  C   UNL     1       0.459  -2.518   0.764  1.00  0.00           C  
HETATM   21  N   UNL     1       0.403  -1.326  -0.109  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.775  -3.360   0.576  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.021  -2.793   0.799  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.472  -2.972   0.717  1.00  0.00           N  
HETATM   25  S   UNL     1       0.879  -5.441  -0.069  1.00  0.00           S  
HETATM   26  O   UNL     1       0.567  -6.780  -0.429  1.00  0.00           O  
HETATM   27  O   UNL     1       1.605  -5.152   1.117  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.744  -1.657   0.832  1.00  0.00           C  
HETATM   29  O   UNL     1      -5.908  -1.319   0.906  1.00  0.00           O  
HETATM   30  N   UNL     1       1.602   2.090   0.399  1.00  0.00           N  
HETATM   31  C   UNL     1       2.973   2.041   0.146  1.00  0.00           C  
HETATM   32  C   UNL     1       3.475   1.107  -0.767  1.00  0.00           C  
HETATM   33  C   UNL     1       4.808   1.036  -1.034  1.00  0.00           C  
HETATM   34  C   UNL     1       5.694   1.912  -0.392  1.00  0.00           C  
HETATM   35  C   UNL     1       7.085   1.877  -0.636  1.00  0.00           C  
HETATM   36  N   UNL     1       7.881   2.721  -0.008  1.00  0.00           N  
HETATM   37  C   UNL     1       7.433   3.620   0.859  1.00  0.00           C  
HETATM   38  C   UNL     1       6.113   3.718   1.177  1.00  0.00           C  
HETATM   39  N   UNL     1       7.611   0.959  -1.531  1.00  0.00           N  
HETATM   40  C   UNL     1       0.643  -0.128   0.481  1.00  0.00           C  
HETATM   41  O   UNL     1       0.824  -0.089   1.687  1.00  0.00           O  
HETATM   42  O   UNL     1      -4.467   3.424  -0.525  1.00  0.00           O  
HETATM   43  F   UNL     1       5.687   4.637   2.072  1.00  0.00           F  
HETATM   44  C   UNL     1      -4.569   4.732  -1.093  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.034   5.175  -1.093  1.00  0.00           C  
HETATM   46  F   UNL     1      -6.793   4.276  -1.850  1.00  0.00           F  
HETATM   47  F   UNL     1      -6.514   5.198   0.221  1.00  0.00           F  
HETATM   48  C   UNL     1      -4.696   1.407   1.921  1.00  0.00           C  
HETATM   49  H   UNL     1       0.873  -4.221  -2.236  1.00  0.00           H  
HETATM   50  H   UNL     1       3.463  -5.797  -1.430  1.00  0.00           H  
HETATM   51  H   UNL     1       3.174  -4.932  -3.034  1.00  0.00           H  
HETATM   52  H   UNL     1       2.883  -2.736  -1.797  1.00  0.00           H  
HETATM   53  H   UNL     1       3.171  -3.601  -0.194  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.962  -1.396  -1.700  1.00  0.00           H  
HETATM   55  H   UNL     1       0.610  -0.655  -2.085  1.00  0.00           H  
HETATM   56  H   UNL     1       0.480  -2.420  -1.896  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.993   0.782  -0.130  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.773  -6.461  -0.286  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.982  -5.422   0.027  1.00  0.00           H  
HETATM   60  H   UNL     1       3.427   3.629   1.505  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.957  -0.849   0.062  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.166  -0.635   1.824  1.00  0.00           H  
HETATM   63  H   UNL     1       1.062   0.999  -1.300  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.601   0.120   0.615  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.273   4.587  -1.330  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.021   3.605  -1.251  1.00  0.00           H  
HETATM   67  H   UNL     1       1.347  -3.098   0.513  1.00  0.00           H  
HETATM   68  H   UNL     1       0.524  -2.202   1.806  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.039  -1.793   1.200  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.228  -3.595   0.735  1.00  0.00           H  
HETATM   71  H   UNL     1       1.248   2.735   1.031  1.00  0.00           H  
HETATM   72  H   UNL     1       2.796   0.433  -1.268  1.00  0.00           H  
HETATM   73  H   UNL     1       5.181   0.310  -1.742  1.00  0.00           H  
HETATM   74  H   UNL     1       8.138   4.282   1.339  1.00  0.00           H  
HETATM   75  H   UNL     1       7.024   0.339  -1.991  1.00  0.00           H  
HETATM   76  H   UNL     1       8.566   0.937  -1.697  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.978   5.432  -0.502  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.195   4.713  -2.116  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.112   6.172  -1.526  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.022   2.432   1.747  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.533   0.818   2.297  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.889   1.401   2.653  1.00  0.00           H  
CONECT    1    9   24   23   23                                       
CONECT    2    5   25    4   49                                       
CONECT    3   25    8   22   22                                       
CONECT    4    5    2   50   51                                       
CONECT    5    2    4   52   53                                       
CONECT    6   21   54   55   56                                       
CONECT    7   48   11   16   57                                       
CONECT    8    9    9    3   58                                       
CONECT    9    8    8    1   59                                       
CONECT   10   31   12   12   60                                       
CONECT   11   28    7   61   62                                       
CONECT   12   10   10   34   38                                       
CONECT   13   40   30   14   63                                       
CONECT   14   15   13   19   19                                       
CONECT   15   16   16   14   64                                       
CONECT   16    7   15   15   17                                       
CONECT   17   16   42   18   18                                       
CONECT   18   17   17   19   65                                       
CONECT   19   14   14   18   66                                       
CONECT   20   22   21   67   68                                       
CONECT   21   20   40    6                                            
CONECT   22    3    3   23   20                                       
CONECT   23    1    1   22   69                                       
CONECT   24    1   28   70                                            
CONECT   25   26   26    2    3                                       
CONECT   25   27   27                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   24   11   29   29                                       
CONECT   29   28   28                                                 
CONECT   30   13   31   71                                            
CONECT   31   30   32   32   10                                       
CONECT   32   31   31   33   72                                       
CONECT   33   32   34   34   73                                       
CONECT   34   33   33   12   35                                       
CONECT   35   34   39   36   36                                       
CONECT   36   35   35   37                                            
CONECT   37   38   38   36   74                                       
CONECT   38   12   43   37   37                                       
CONECT   39   35   75   76                                            
CONECT   40   41   41   21   13                                       
CONECT   41   40   40                                                 
CONECT   42   17   44                                                 
CONECT   43   38                                                      
CONECT   44   42   45   77   78                                       
CONECT   45   46   44   47   79                                       
CONECT   46   45                                                      
CONECT   47   45                                                      
CONECT   48    7   80   81   82                                       
CONECT   49    2                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   13                                                      
CONECT   64   15                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   30                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   37                                                      
CONECT   75   39                                                      
CONECT   76   39                                                      
CONECT   77   44                                                      
CONECT   78   44                                                      
CONECT   79   45                                                      
CONECT   80   48                                                      
CONECT   81   48                                                      
CONECT   82   48                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
