COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.350  -0.875  -1.007  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.344  -0.178  -0.071  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.042  -3.971   0.884  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.633   0.967  -0.786  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.035   2.841  -0.499  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.621   4.094  -0.553  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.972   5.134  -1.198  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.740   4.924  -1.788  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.152   3.676  -1.738  1.00  0.00           C  
HETATM   10  C   UNL     1       1.139   1.248  -1.073  1.00  0.00           C  
HETATM   11  C   UNL     1       3.941  -1.326  -1.008  1.00  0.00           C  
HETATM   12  C   UNL     1       4.197  -3.490  -0.015  1.00  0.00           C  
HETATM   13  C   UNL     1       5.112  -3.831  -0.997  1.00  0.00           C  
HETATM   14  C   UNL     1       5.445  -2.915  -1.980  1.00  0.00           C  
HETATM   15  F   UNL     1      -3.825   4.302   0.023  1.00  0.00           F  
HETATM   16  C   UNL     1      -0.798   2.630  -1.092  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.203   1.364  -1.040  1.00  0.00           N  
HETATM   18  O   UNL     1       1.830   2.236  -1.208  1.00  0.00           O  
HETATM   19  C   UNL     1       1.782  -0.108  -0.944  1.00  0.00           C  
HETATM   20  C   UNL     1       3.303   0.039  -1.013  1.00  0.00           C  
HETATM   21  C   UNL     1       3.787   0.825   0.178  1.00  0.00           C  
HETATM   22  C   UNL     1       3.425   0.436   1.455  1.00  0.00           C  
HETATM   23  C   UNL     1       3.867   1.155   2.549  1.00  0.00           C  
HETATM   24  C   UNL     1       4.674   2.266   2.366  1.00  0.00           C  
HETATM   25  F   UNL     1       5.103   2.973   3.434  1.00  0.00           F  
HETATM   26  C   UNL     1       5.036   2.654   1.087  1.00  0.00           C  
HETATM   27  C   UNL     1       4.596   1.930  -0.005  1.00  0.00           C  
HETATM   28  C   UNL     1       4.859  -1.664  -1.985  1.00  0.00           C  
HETATM   29  F   UNL     1       5.685  -5.055  -0.991  1.00  0.00           F  
HETATM   30  C   UNL     1       3.612  -2.238  -0.022  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.737   1.710   0.207  1.00  0.00           C  
HETATM   32  N   UNL     1      -4.787  -1.812  -1.969  1.00  0.00           N  
HETATM   33  N   UNL     1      -3.403  -1.250   0.328  1.00  0.00           N  
HETATM   34  C   UNL     1      -2.812  -1.915  -0.747  1.00  0.00           C  
HETATM   35  S   UNL     1      -3.145  -1.616   1.937  1.00  0.00           S  
HETATM   36  O   UNL     1      -3.599  -0.488   2.672  1.00  0.00           O  
HETATM   37  O   UNL     1      -1.807  -2.086   2.020  1.00  0.00           O  
HETATM   38  C   UNL     1      -4.313  -2.948   1.994  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.772  -3.586  -0.348  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.861  -2.845  -1.400  1.00  0.00           C  
HETATM   41  H   UNL     1      -6.108  -1.368  -0.402  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.867  -0.086  -1.572  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.869   0.204   0.810  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.973  -4.013   0.677  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.382  -4.956   1.209  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.023   0.567  -1.596  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.373   1.656  -1.194  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.431   6.111  -1.239  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.237   5.737  -2.291  1.00  0.00           H  
HETATM   50  H   UNL     1       0.811   3.513  -2.200  1.00  0.00           H  
HETATM   51  H   UNL     1       3.937  -4.204   0.752  1.00  0.00           H  
HETATM   52  H   UNL     1       6.158  -3.181  -2.746  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.757   0.570  -0.979  1.00  0.00           H  
HETATM   54  H   UNL     1       1.503  -0.553   0.012  1.00  0.00           H  
HETATM   55  H   UNL     1       1.442  -0.751  -1.756  1.00  0.00           H  
HETATM   56  H   UNL     1       3.576   0.564  -1.929  1.00  0.00           H  
HETATM   57  H   UNL     1       2.795  -0.430   1.597  1.00  0.00           H  
HETATM   58  H   UNL     1       3.584   0.852   3.546  1.00  0.00           H  
HETATM   59  H   UNL     1       5.665   3.520   0.943  1.00  0.00           H  
HETATM   60  H   UNL     1       4.879   2.232  -1.003  1.00  0.00           H  
HETATM   61  H   UNL     1       5.118  -0.949  -2.752  1.00  0.00           H  
HETATM   62  H   UNL     1       2.898  -1.972   0.743  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.347   2.110   1.017  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.997   1.022   0.615  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.501  -2.225  -2.551  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.432  -1.220  -1.486  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.985  -2.525  -0.376  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.319  -2.545   1.875  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.241  -3.443   2.963  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.157  -4.500  -0.811  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.616  -2.964  -0.077  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.422  -3.524  -2.140  1.00  0.00           H  
CONECT    1    2   32   41   42                                       
CONECT    2    1   33    4   43                                       
CONECT    3   38   39   44   45                                       
CONECT    4    2   31   46   47                                       
CONECT    5   31   16   16    6                                       
CONECT    6    5   15    7    7                                       
CONECT    7    6    6    8   48                                       
CONECT    8    9    9    7   49                                       
CONECT    9   16    8    8   50                                       
CONECT   10   19   17   18   18                                       
CONECT   11   30   30   20   28                                       
CONECT   12   13   13   30   51                                       
CONECT   13   29   12   12   14                                       
CONECT   14   13   28   28   52                                       
CONECT   15    6                                                      
CONECT   16   17    5    5    9                                       
CONECT   17   10   16   53                                            
CONECT   18   10   10                                                 
CONECT   19   20   10   54   55                                       
CONECT   20   21   11   19   56                                       
CONECT   21   27   27   22   20                                       
CONECT   22   23   23   21   57                                       
CONECT   23   24   22   22   58                                       
CONECT   24   25   26   26   23                                       
CONECT   25   24                                                      
CONECT   26   24   24   27   59                                       
CONECT   27   26   21   21   60                                       
CONECT   28   14   14   11   61                                       
CONECT   29   13                                                      
CONECT   30   12   11   11   62                                       
CONECT   31    4    5   63   64                                       
CONECT   32    1   40   65                                            
CONECT   33   35    2   34                                            
CONECT   34   33   40   66   67                                       
CONECT   35   36   36   38   37                                       
CONECT   35   37   33                                                 
CONECT   36   35   35                                                 
CONECT   37   35   35                                                 
CONECT   38   35    3   68   69                                       
CONECT   39    3   40   70   71                                       
CONECT   40   39   32   34   72                                       
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   12                                                      
CONECT   52   14                                                      
CONECT   53   17                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   38                                                      
CONECT   69   38                                                      
CONECT   70   39                                                      
CONECT   71   39                                                      
CONECT   72   40                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
