COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.135  -1.297  -1.501  1.00  0.00           C  
HETATM    2  C   UNL     1       9.921  -0.318  -1.035  1.00  0.00           C  
HETATM    3  C   UNL     1       9.255   0.773  -0.522  1.00  0.00           C  
HETATM    4  C   UNL     1       7.898   0.679  -0.571  1.00  0.00           C  
HETATM    5  O   UNL     1       7.264   2.849   0.543  1.00  0.00           O  
HETATM    6  C   UNL     1       6.958   1.702  -0.091  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.476  -0.548   0.675  1.00  0.00           O  
HETATM    8  C   UNL     1       0.448  -0.648  -0.105  1.00  0.00           C  
HETATM    9  C   UNL     1       0.976  -2.009  -0.477  1.00  0.00           C  
HETATM   10  C   UNL     1       2.490  -2.051  -0.250  1.00  0.00           C  
HETATM   11  C   UNL     1       2.784  -1.829   1.235  1.00  0.00           C  
HETATM   12  N   UNL     1       2.123  -2.873   2.028  1.00  0.00           N  
HETATM   13  C   UNL     1       2.496  -2.774   3.445  1.00  0.00           C  
HETATM   14  C   UNL     1       1.772  -3.863   4.240  1.00  0.00           C  
HETATM   15  C   UNL     1       4.008  -2.956   3.589  1.00  0.00           C  
HETATM   16  C   UNL     1       0.664  -2.822   1.862  1.00  0.00           C  
HETATM   17  C   UNL     1       0.307  -3.074   0.396  1.00  0.00           C  
HETATM   18  N   UNL     1       1.003   0.459  -0.637  1.00  0.00           N  
HETATM   19  C   UNL     1       0.590   1.729  -0.204  1.00  0.00           C  
HETATM   20  C   UNL     1       1.535   2.686   0.151  1.00  0.00           C  
HETATM   21  O   UNL     1       2.861   2.394   0.078  1.00  0.00           O  
HETATM   22  C   UNL     1       3.770   3.378   0.575  1.00  0.00           C  
HETATM   23  C   UNL     1       5.184   2.883   0.412  1.00  0.00           C  
HETATM   24  N   UNL     1       6.270   3.484   0.811  1.00  0.00           N  
HETATM   25  C   UNL     1       5.589   1.682  -0.200  1.00  0.00           C  
HETATM   26  S   UNL     1       7.445  -0.857  -1.298  1.00  0.00           S  
HETATM   27 CL   UNL     1       9.701  -2.779  -2.206  1.00  0.00          Cl  
HETATM   28  C   UNL     1      -0.766   2.036  -0.134  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.168   3.291   0.295  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.225   4.237   0.652  1.00  0.00           C  
HETATM   31  C   UNL     1       1.122   3.939   0.578  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.694   1.107  -0.486  1.00  0.00           O  
HETATM   33  C   UNL     1      -3.066   1.492  -0.391  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.955   0.325  -0.825  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.425   0.737  -0.723  1.00  0.00           C  
HETATM   36  O   UNL     1      -6.255  -0.353  -1.128  1.00  0.00           O  
HETATM   37  C   UNL     1      -7.655  -0.071  -1.070  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.439  -1.256  -1.639  1.00  0.00           C  
HETATM   39  O   UNL     1      -8.096  -1.438  -3.015  1.00  0.00           O  
HETATM   40  C   UNL     1      -9.939  -0.971  -1.518  1.00  0.00           C  
HETATM   41  O   UNL     1     -10.679  -2.103  -1.980  1.00  0.00           O  
HETATM   42  C   UNL     1     -10.279  -0.702  -0.049  1.00  0.00           C  
HETATM   43  O   UNL     1     -11.662  -0.364   0.067  1.00  0.00           O  
HETATM   44  C   UNL     1      -9.424   0.462   0.460  1.00  0.00           C  
HETATM   45  O   UNL     1      -8.041   0.145   0.289  1.00  0.00           O  
HETATM   46  C   UNL     1      -9.714   0.699   1.943  1.00  0.00           C  
HETATM   47  O   UNL     1      -9.005   1.856   2.388  1.00  0.00           O  
HETATM   48  H   UNL     1      10.999  -0.379  -1.061  1.00  0.00           H  
HETATM   49  H   UNL     1       9.768   1.632  -0.114  1.00  0.00           H  
HETATM   50  H   UNL     1       0.758  -2.209  -1.527  1.00  0.00           H  
HETATM   51  H   UNL     1       2.877  -3.023  -0.557  1.00  0.00           H  
HETATM   52  H   UNL     1       2.967  -1.267  -0.838  1.00  0.00           H  
HETATM   53  H   UNL     1       3.860  -1.872   1.403  1.00  0.00           H  
HETATM   54  H   UNL     1       2.408  -0.851   1.538  1.00  0.00           H  
HETATM   55  H   UNL     1       2.210  -1.794   3.828  1.00  0.00           H  
HETATM   56  H   UNL     1       1.974  -4.835   3.791  1.00  0.00           H  
HETATM   57  H   UNL     1       2.129  -3.857   5.271  1.00  0.00           H  
HETATM   58  H   UNL     1       0.700  -3.671   4.226  1.00  0.00           H  
HETATM   59  H   UNL     1       4.523  -2.181   3.022  1.00  0.00           H  
HETATM   60  H   UNL     1       4.284  -2.882   4.641  1.00  0.00           H  
HETATM   61  H   UNL     1       4.293  -3.936   3.206  1.00  0.00           H  
HETATM   62  H   UNL     1       0.201  -3.588   2.486  1.00  0.00           H  
HETATM   63  H   UNL     1       0.299  -1.840   2.162  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.775  -3.021   0.271  1.00  0.00           H  
HETATM   65  H   UNL     1       0.660  -4.062   0.100  1.00  0.00           H  
HETATM   66  H   UNL     1       1.687   0.378  -1.320  1.00  0.00           H  
HETATM   67  H   UNL     1       3.643   4.305   0.016  1.00  0.00           H  
HETATM   68  H   UNL     1       3.568   3.560   1.630  1.00  0.00           H  
HETATM   69  H   UNL     1       4.968   0.922  -0.651  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.220   3.531   0.350  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.543   5.214   0.985  1.00  0.00           H  
HETATM   72  H   UNL     1       1.855   4.683   0.854  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.297   1.760   0.640  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.249   2.349  -1.039  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.724   0.056  -1.856  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.772  -0.532  -0.177  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.656   1.006   0.308  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.608   1.594  -1.371  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.870   0.823  -1.655  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.192  -2.158  -1.080  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.158  -1.618  -3.166  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.194  -0.098  -2.119  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.507  -2.335  -2.903  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.070  -1.593   0.543  1.00  0.00           H  
HETATM   85  H   UNL     1     -12.263  -1.056  -0.242  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.663   1.363  -0.106  1.00  0.00           H  
HETATM   87  H   UNL     1     -10.784   0.851   2.084  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.392  -0.169   2.519  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.142   2.067   3.322  1.00  0.00           H  
CONECT    1   27    2    2   26                                       
CONECT    2    1    1    3   48                                       
CONECT    3    2    4    4   49                                       
CONECT    4    3    3   26    6                                       
CONECT    5    6   24                                                 
CONECT    6    4   25   25    5                                       
CONECT    7    8    8                                                 
CONECT    8    9   18    7    7                                       
CONECT    9   10    8   17   50                                       
CONECT   10   11    9   51   52                                       
CONECT   11   10   12   53   54                                       
CONECT   12   11   13   16                                            
CONECT   13   14   15   12   55                                       
CONECT   14   13   56   57   58                                       
CONECT   15   13   59   60   61                                       
CONECT   16   12   17   62   63                                       
CONECT   17    9   16   64   65                                       
CONECT   18    8   19   66                                            
CONECT   19   28   18   20   20                                       
CONECT   20   19   19   31   21                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   67   68                                       
CONECT   23   25   22   24   24                                       
CONECT   24    5   23   23                                            
CONECT   25    6    6   23   69                                       
CONECT   26    1    4                                                 
CONECT   27    1                                                      
CONECT   28   32   29   29   19                                       
CONECT   29   28   28   30   70                                       
CONECT   30   29   31   31   71                                       
CONECT   31   30   30   20   72                                       
CONECT   32   33   28                                                 
CONECT   33   34   32   73   74                                       
CONECT   34   35   33   75   76                                       
CONECT   35   36   34   77   78                                       
CONECT   36   37   35                                                 
CONECT   37   38   45   36   79                                       
CONECT   38   39   40   37   80                                       
CONECT   39   38   81                                                 
CONECT   40   42   38   41   82                                       
CONECT   41   40   83                                                 
CONECT   42   43   40   44   84                                       
CONECT   43   42   85                                                 
CONECT   44   42   46   45   86                                       
CONECT   45   44   37                                                 
CONECT   46   47   44   87   88                                       
CONECT   47   46   89                                                 
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   25                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   33                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   40                                                      
CONECT   83   41                                                      
CONECT   84   42                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
CONECT   87   46                                                      
CONECT   88   46                                                      
CONECT   89   47                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
