COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.224   4.045   0.167  1.00  0.00           C  
HETATM    2  N   UNL     1       7.829   4.331  -0.195  1.00  0.00           N  
HETATM    3  C   UNL     1       7.083   4.857   0.957  1.00  0.00           C  
HETATM    4  C   UNL     1       5.661   5.215   0.520  1.00  0.00           C  
HETATM    5  N   UNL     1       5.004   4.021  -0.028  1.00  0.00           N  
HETATM    6  C   UNL     1       3.609   4.306  -0.390  1.00  0.00           C  
HETATM    7  C   UNL     1       2.889   2.997  -0.719  1.00  0.00           C  
HETATM    8  O   UNL     1       2.817   2.186   0.455  1.00  0.00           O  
HETATM    9  C   UNL     1       2.203   0.979   0.335  1.00  0.00           C  
HETATM   10  C   UNL     1       2.093   0.144   1.439  1.00  0.00           C  
HETATM   11 CL   UNL     1       2.746   0.639   2.969  1.00  0.00          Cl  
HETATM   12  C   UNL     1       1.465  -1.079   1.321  1.00  0.00           C  
HETATM   13  C   UNL     1       1.346  -1.985   2.520  1.00  0.00           C  
HETATM   14  C   UNL     1       0.940  -1.476   0.091  1.00  0.00           C  
HETATM   15  C   UNL     1       1.053  -0.634  -1.016  1.00  0.00           C  
HETATM   16  C   UNL     1       1.681   0.587  -0.891  1.00  0.00           C  
HETATM   17  C   UNL     1       0.266  -2.787  -0.040  1.00  0.00           C  
HETATM   18  C   UNL     1       0.924  -3.926  -0.373  1.00  0.00           C  
HETATM   19  S   UNL     1      -0.174  -5.291  -0.439  1.00  0.00           S  
HETATM   20  C   UNL     1      -1.558  -4.298  -0.005  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.160  -2.972   0.183  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.157  -2.031   0.539  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.836  -0.730   0.735  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.900   0.154   1.092  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.595   1.558   0.565  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.582   1.537  -0.942  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.768   1.675  -1.648  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.943   1.828  -0.982  1.00  0.00           O  
HETATM   29  C   UNL     1      -6.124   1.964  -1.775  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.319   2.123  -0.871  1.00  0.00           C  
HETATM   31  N   UNL     1      -8.527   2.260  -1.390  1.00  0.00           N  
HETATM   32  C   UNL     1      -9.575   2.399  -0.597  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.408   2.401   0.776  1.00  0.00           C  
HETATM   34  N   UNL     1      -8.201   2.264   1.296  1.00  0.00           N  
HETATM   35  C   UNL     1      -7.153   2.120   0.503  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.752   1.656  -3.035  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.557   1.500  -3.710  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.376   1.363  -3.003  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.388   1.387  -1.621  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.034   0.199   2.592  1.00  0.00           C  
HETATM   41  O   UNL     1      -4.038   0.890   3.156  1.00  0.00           O  
HETATM   42  O   UNL     1      -2.239  -0.387   3.287  1.00  0.00           O  
HETATM   43  N   UNL     1      -3.407  -2.442   0.677  1.00  0.00           N  
HETATM   44  C   UNL     1      -3.735  -3.708   0.488  1.00  0.00           C  
HETATM   45  N   UNL     1      -2.848  -4.618   0.162  1.00  0.00           N  
HETATM   46  C   UNL     1       2.372  -4.005  -0.644  1.00  0.00           C  
HETATM   47  C   UNL     1       3.150  -4.983  -0.020  1.00  0.00           C  
HETATM   48  C   UNL     1       4.503  -5.052  -0.277  1.00  0.00           C  
HETATM   49  C   UNL     1       5.091  -4.154  -1.153  1.00  0.00           C  
HETATM   50  F   UNL     1       6.418  -4.226  -1.401  1.00  0.00           F  
HETATM   51  C   UNL     1       4.325  -3.181  -1.775  1.00  0.00           C  
HETATM   52  C   UNL     1       2.970  -3.106  -1.530  1.00  0.00           C  
HETATM   53  C   UNL     1       5.750   3.495  -1.180  1.00  0.00           C  
HETATM   54  C   UNL     1       7.172   3.136  -0.743  1.00  0.00           C  
HETATM   55  H   UNL     1       9.248   3.305   0.966  1.00  0.00           H  
HETATM   56  H   UNL     1       9.753   3.658  -0.704  1.00  0.00           H  
HETATM   57  H   UNL     1       9.706   4.962   0.506  1.00  0.00           H  
HETATM   58  H   UNL     1       7.043   4.100   1.740  1.00  0.00           H  
HETATM   59  H   UNL     1       7.583   5.748   1.337  1.00  0.00           H  
HETATM   60  H   UNL     1       5.097   5.579   1.379  1.00  0.00           H  
HETATM   61  H   UNL     1       5.700   5.992  -0.244  1.00  0.00           H  
HETATM   62  H   UNL     1       3.110   4.796   0.446  1.00  0.00           H  
HETATM   63  H   UNL     1       3.587   4.962  -1.261  1.00  0.00           H  
HETATM   64  H   UNL     1       1.882   3.216  -1.072  1.00  0.00           H  
HETATM   65  H   UNL     1       3.439   2.465  -1.495  1.00  0.00           H  
HETATM   66  H   UNL     1       2.215  -2.641   2.567  1.00  0.00           H  
HETATM   67  H   UNL     1       1.296  -1.383   3.427  1.00  0.00           H  
HETATM   68  H   UNL     1       0.441  -2.586   2.433  1.00  0.00           H  
HETATM   69  H   UNL     1       0.648  -0.938  -1.970  1.00  0.00           H  
HETATM   70  H   UNL     1       1.764   1.241  -1.746  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.832  -0.203   0.654  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.361   2.251   0.912  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.620   1.880   0.932  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.033   2.842  -2.415  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.252   1.075  -2.392  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.562   2.511  -1.022  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.265   2.515   1.424  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.167   2.004   0.927  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.674   1.762  -3.588  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.545   1.485  -4.789  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.442   1.242  -3.532  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.464   1.280  -1.071  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.083   0.889   4.122  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.767  -4.004   0.610  1.00  0.00           H  
HETATM   85  H   UNL     1       2.692  -5.684   0.663  1.00  0.00           H  
HETATM   86  H   UNL     1       5.105  -5.808   0.205  1.00  0.00           H  
HETATM   87  H   UNL     1       4.789  -2.483  -2.456  1.00  0.00           H  
HETATM   88  H   UNL     1       2.373  -2.350  -2.019  1.00  0.00           H  
HETATM   89  H   UNL     1       5.251   2.604  -1.561  1.00  0.00           H  
HETATM   90  H   UNL     1       5.790   4.252  -1.964  1.00  0.00           H  
HETATM   91  H   UNL     1       7.736   2.773  -1.603  1.00  0.00           H  
HETATM   92  H   UNL     1       7.133   2.360   0.021  1.00  0.00           H  
CONECT    1    2   55   56   57                                       
CONECT    2   54    1    3                                            
CONECT    3    2    4   58   59                                       
CONECT    4    5    3   60   61                                       
CONECT    5   53    6    4                                            
CONECT    6    7    5   62   63                                       
CONECT    7    8    6   64   65                                       
CONECT    8    9    7                                                 
CONECT    9   10   10   16    8                                       
CONECT   10   12   11    9    9                                       
CONECT   11   10                                                      
CONECT   12   13   14   14   10                                       
CONECT   13   12   66   67   68                                       
CONECT   14   17   12   12   15                                       
CONECT   15   14   16   16   69                                       
CONECT   16   15   15    9   70                                       
CONECT   17   18   18   21   14                                       
CONECT   18   19   46   17   17                                       
CONECT   19   20   18                                                 
CONECT   20   19   45   45   21                                       
CONECT   21   20   17   22   22                                       
CONECT   22   21   21   43   23                                       
CONECT   23   22   24                                                 
CONECT   24   23   40   25   71                                       
CONECT   25   24   26   72   73                                       
CONECT   26   27   27   39   25                                       
CONECT   27   36   28   26   26                                       
CONECT   28   29   27                                                 
CONECT   29   28   30   74   75                                       
CONECT   30   31   29   35   35                                       
CONECT   31   32   32   30                                            
CONECT   32   31   31   33   76                                       
CONECT   33   32   34   34   77                                       
CONECT   34   33   33   35                                            
CONECT   35   30   30   34   78                                       
CONECT   36   37   37   27   79                                       
CONECT   37   36   36   38   80                                       
CONECT   38   37   39   39   81                                       
CONECT   39   38   38   26   82                                       
CONECT   40   24   42   42   41                                       
CONECT   41   40   83                                                 
CONECT   42   40   40                                                 
CONECT   43   44   44   22                                            
CONECT   44   45   43   43   84                                       
CONECT   45   20   20   44                                            
CONECT   46   47   18   52   52                                       
CONECT   47   48   48   46   85                                       
CONECT   48   47   47   49   86                                       
CONECT   49   48   50   51   51                                       
CONECT   50   49                                                      
CONECT   51   49   49   52   87                                       
CONECT   52   46   46   51   88                                       
CONECT   53   54    5   89   90                                       
CONECT   54   53    2   91   92                                       
CONECT   55    1                                                      
CONECT   56    1                                                      
CONECT   57    1                                                      
CONECT   58    3                                                      
CONECT   59    3                                                      
CONECT   60    4                                                      
CONECT   61    4                                                      
CONECT   62    6                                                      
CONECT   63    6                                                      
CONECT   64    7                                                      
CONECT   65    7                                                      
CONECT   66   13                                                      
CONECT   67   13                                                      
CONECT   68   13                                                      
CONECT   69   15                                                      
CONECT   70   16                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   41                                                      
CONECT   84   44                                                      
CONECT   85   47                                                      
CONECT   86   48                                                      
CONECT   87   51                                                      
CONECT   88   52                                                      
CONECT   89   53                                                      
CONECT   90   53                                                      
CONECT   91   54                                                      
CONECT   92   54                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
