COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.709   7.204  -0.466  1.00  0.00           C  
HETATM    2  N   UNL     1       1.589   6.046   0.424  1.00  0.00           N  
HETATM    3  C   UNL     1       2.358   4.926   0.204  1.00  0.00           C  
HETATM    4  N   UNL     1       3.225   4.791  -0.766  1.00  0.00           N  
HETATM    5  O   UNL     1       2.333   3.814   0.959  1.00  0.00           O  
HETATM    6  C   UNL     1       3.218   2.931   0.441  1.00  0.00           C  
HETATM    7  C   UNL     1       3.610   1.650   0.791  1.00  0.00           C  
HETATM    8  C   UNL     1       3.797   3.559  -0.673  1.00  0.00           C  
HETATM    9  C   UNL     1       4.764   2.885  -1.420  1.00  0.00           C  
HETATM   10  C   UNL     1       5.140   1.609  -1.060  1.00  0.00           C  
HETATM   11  C   UNL     1       4.566   0.993   0.041  1.00  0.00           C  
HETATM   12  S   UNL     1       5.062  -0.636   0.490  1.00  0.00           S  
HETATM   13  O   UNL     1       6.361  -0.824  -0.055  1.00  0.00           O  
HETATM   14  O   UNL     1       4.772  -0.778   1.873  1.00  0.00           O  
HETATM   15  N   UNL     1       4.064  -1.690  -0.308  1.00  0.00           N  
HETATM   16  C   UNL     1       4.429  -2.180  -1.639  1.00  0.00           C  
HETATM   17  C   UNL     1       5.143  -3.526  -1.509  1.00  0.00           C  
HETATM   18  C   UNL     1       5.413  -4.097  -2.903  1.00  0.00           C  
HETATM   19  C   UNL     1       6.470  -3.331  -0.772  1.00  0.00           C  
HETATM   20  C   UNL     1       2.816  -2.132   0.319  1.00  0.00           C  
HETATM   21  C   UNL     1       1.663  -1.249  -0.162  1.00  0.00           C  
HETATM   22  O   UNL     1       1.470  -1.438  -1.565  1.00  0.00           O  
HETATM   23  C   UNL     1       0.383  -1.629   0.585  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.019  -3.057   0.213  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.208  -3.476   1.039  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.489  -3.241   0.576  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.579  -3.625   1.334  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.388  -4.245   2.555  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.107  -4.481   3.018  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.017  -4.101   2.257  1.00  0.00           C  
HETATM   31  N   UNL     1      -0.692  -0.706   0.214  1.00  0.00           N  
HETATM   32  C   UNL     1      -1.723  -0.498   1.057  1.00  0.00           C  
HETATM   33  O   UNL     1      -1.760  -1.076   2.125  1.00  0.00           O  
HETATM   34  O   UNL     1      -2.711   0.351   0.715  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.789   0.526   1.672  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.109   0.855   0.944  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.528   1.763   2.560  1.00  0.00           C  
HETATM   38  O   UNL     1      -4.231   2.841   1.906  1.00  0.00           O  
HETATM   39  C   UNL     1      -5.480   2.274   1.460  1.00  0.00           C  
HETATM   40  O   UNL     1      -5.914   2.989   0.284  1.00  0.00           O  
HETATM   41  C   UNL     1      -5.013   2.586  -0.769  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.810   1.070  -0.555  1.00  0.00           C  
HETATM   43  O   UNL     1      -5.726   0.324  -1.360  1.00  0.00           O  
HETATM   44  C   UNL     1      -5.186  -0.100  -2.613  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.233  -0.873  -3.375  1.00  0.00           C  
HETATM   46  F   UNL     1      -6.684  -2.052  -2.895  1.00  0.00           F  
HETATM   47  C   UNL     1      -6.705  -0.399  -4.505  1.00  0.00           C  
HETATM   48  H   UNL     1       2.733   7.578  -0.439  1.00  0.00           H  
HETATM   49  H   UNL     1       1.457   6.907  -1.484  1.00  0.00           H  
HETATM   50  H   UNL     1       1.027   7.988  -0.137  1.00  0.00           H  
HETATM   51  H   UNL     1       3.170   1.165   1.650  1.00  0.00           H  
HETATM   52  H   UNL     1       5.215   3.362  -2.277  1.00  0.00           H  
HETATM   53  H   UNL     1       5.888   1.087  -1.638  1.00  0.00           H  
HETATM   54  H   UNL     1       3.529  -2.302  -2.241  1.00  0.00           H  
HETATM   55  H   UNL     1       5.093  -1.462  -2.121  1.00  0.00           H  
HETATM   56  H   UNL     1       2.618  -3.168   0.043  1.00  0.00           H  
HETATM   57  H   UNL     1       2.906  -2.055   1.402  1.00  0.00           H  
HETATM   58  H   UNL     1       4.515  -4.219  -0.949  1.00  0.00           H  
HETATM   59  H   UNL     1       6.042  -3.405  -3.463  1.00  0.00           H  
HETATM   60  H   UNL     1       5.922  -5.056  -2.811  1.00  0.00           H  
HETATM   61  H   UNL     1       4.469  -4.236  -3.428  1.00  0.00           H  
HETATM   62  H   UNL     1       6.277  -2.925   0.221  1.00  0.00           H  
HETATM   63  H   UNL     1       6.978  -4.291  -0.680  1.00  0.00           H  
HETATM   64  H   UNL     1       7.098  -2.639  -1.332  1.00  0.00           H  
HETATM   65  H   UNL     1       1.901  -0.203   0.034  1.00  0.00           H  
HETATM   66  H   UNL     1       1.255  -2.348  -1.813  1.00  0.00           H  
HETATM   67  H   UNL     1       0.558  -1.570   1.660  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.280  -3.097  -0.845  1.00  0.00           H  
HETATM   69  H   UNL     1       0.814  -3.732   0.407  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.662  -0.245  -0.639  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.638  -2.757  -0.378  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.016  -4.288   2.617  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.580  -3.441   0.973  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.240  -4.545   3.148  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.958  -4.965   3.972  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.904  -0.368   2.285  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.890   0.116   1.128  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.926   1.602   3.561  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.460   1.979   2.605  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.234   2.252   2.247  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.783   0.787  -0.784  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.460   2.775  -1.745  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.063   3.112  -0.677  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.885   0.772  -3.193  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.320  -0.737  -2.438  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.344   0.544  -4.888  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.455  -0.953  -5.050  1.00  0.00           H  
HETATM   88  H   UNL     1       0.967   6.069   1.168  1.00  0.00           H  
CONECT    1    2   48   49   50                                       
CONECT    2    1    3   88                                            
CONECT    3    2    4    4    5                                       
CONECT    4    3    3    8                                            
CONECT    5    3    6                                                 
CONECT    6    5    7    7    8                                       
CONECT    7    6    6   11   51                                       
CONECT    8    4    6    9    9                                       
CONECT    9    8    8   10   52                                       
CONECT   10    9   11   11   53                                       
CONECT   11    7   10   10   12                                       
CONECT   12   11   13   13   14                                       
CONECT   12   14   15                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15   12   16   20                                            
CONECT   16   15   17   54   55                                       
CONECT   17   16   18   19   58                                       
CONECT   18   17   59   60   61                                       
CONECT   19   17   62   63   64                                       
CONECT   20   15   21   56   57                                       
CONECT   21   20   22   23   65                                       
CONECT   22   21   66                                                 
CONECT   23   21   24   31   67                                       
CONECT   24   23   25   68   69                                       
CONECT   25   24   26   30   30                                       
CONECT   26   25   27   27   71                                       
CONECT   27   26   26   28   73                                       
CONECT   28   27   29   29   74                                       
CONECT   29   28   28   30   75                                       
CONECT   30   25   25   29   72                                       
CONECT   31   23   32   70                                            
CONECT   32   31   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   35                                                 
CONECT   35   34   36   37   76                                       
CONECT   36   35   39   42   77                                       
CONECT   37   35   38   78   79                                       
CONECT   38   37   39                                                 
CONECT   39   36   38   40   80                                       
CONECT   40   39   41                                                 
CONECT   41   40   42   82   83                                       
CONECT   42   36   41   43   81                                       
CONECT   43   42   44                                                 
CONECT   44   43   45   84   85                                       
CONECT   45   44   46   47   47                                       
CONECT   46   45                                                      
CONECT   47   45   45   86   87                                       
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    7                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   31                                                      
CONECT   71   26                                                      
CONECT   72   30                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
CONECT   79   37                                                      
CONECT   80   39                                                      
CONECT   81   42                                                      
CONECT   82   41                                                      
CONECT   83   41                                                      
CONECT   84   44                                                      
CONECT   85   44                                                      
CONECT   86   47                                                      
CONECT   87   47                                                      
CONECT   88    2                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
