COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.134  -1.453  -0.094  1.00  0.00           C  
HETATM    2  C   UNL     1       5.138  -0.566  -0.298  1.00  0.00           C  
HETATM    3  C   UNL     1       6.552  -0.749   0.193  1.00  0.00           C  
HETATM    4  C   UNL     1       6.557  -1.813   1.298  1.00  0.00           C  
HETATM    5  C   UNL     1       4.295  -2.747   0.666  1.00  0.00           C  
HETATM    6  N   UNL     1       4.640   0.468  -1.002  1.00  0.00           N  
HETATM    7  C   UNL     1       2.974  -0.944  -0.696  1.00  0.00           C  
HETATM    8  C   UNL     1       1.640  -1.593  -0.712  1.00  0.00           C  
HETATM    9  C   UNL     1       5.386   1.650  -1.440  1.00  0.00           C  
HETATM   10  C   UNL     1       6.313  -5.267   2.237  1.00  0.00           C  
HETATM   11  C   UNL     1       5.298   2.736  -0.365  1.00  0.00           C  
HETATM   12  C   UNL     1       6.078   3.970  -0.823  1.00  0.00           C  
HETATM   13  C   UNL     1       6.693   4.599   1.434  1.00  0.00           C  
HETATM   14  C   UNL     1       6.529   5.686   2.500  1.00  0.00           C  
HETATM   15  C   UNL     1       6.363   7.360   0.796  1.00  0.00           C  
HETATM   16  C   UNL     1       6.525   6.290  -0.289  1.00  0.00           C  
HETATM   17  C   UNL     1       1.539  -2.980  -0.791  1.00  0.00           C  
HETATM   18  C   UNL     1       0.295  -3.580  -0.805  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.850  -2.805  -0.741  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.754  -1.426  -0.662  1.00  0.00           C  
HETATM   21  C   UNL     1       0.484  -0.818  -0.642  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.005  -0.588  -0.593  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.591  -0.429  -1.998  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.841   0.409  -1.929  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.069  -0.197  -1.730  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.216   0.571  -1.667  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.136   1.946  -1.802  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.908   2.551  -2.001  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.760   1.782  -2.058  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.553  -0.088  -1.451  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.298  -0.491   0.179  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.716  -0.237   1.604  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.460   0.886   1.916  1.00  0.00           C  
HETATM   34  C   UNL     1     -10.844   1.119   3.224  1.00  0.00           C  
HETATM   35  C   UNL     1     -10.484   0.229   4.219  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.742  -0.895   3.906  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.362  -1.130   2.598  1.00  0.00           C  
HETATM   38  N   UNL     1       3.282   0.213  -1.247  1.00  0.00           N  
HETATM   39  N   UNL     1       5.994   5.012   0.208  1.00  0.00           N  
HETATM   40  N   UNL     1       5.740  -2.957   0.870  1.00  0.00           N  
HETATM   41  N   UNL     1      -7.994   0.139  -0.068  1.00  0.00           N  
HETATM   42  O   UNL     1       7.778  -4.159   0.302  1.00  0.00           O  
HETATM   43  O   UNL     1       5.565  -5.075  -0.317  1.00  0.00           O  
HETATM   44  O   UNL     1       7.022   6.927   1.988  1.00  0.00           O  
HETATM   45  S   UNL     1       6.424  -4.445   0.624  1.00  0.00           S  
HETATM   46 CL   UNL     1      -2.411  -3.564  -0.759  1.00  0.00          Cl  
HETATM   47 CL   UNL     1      -7.577   2.911  -1.724  1.00  0.00          Cl  
HETATM   48  H   UNL     1       7.186  -1.075  -0.631  1.00  0.00           H  
HETATM   49  H   UNL     1       6.925   0.194   0.593  1.00  0.00           H  
HETATM   50  H   UNL     1       7.580  -2.144   1.480  1.00  0.00           H  
HETATM   51  H   UNL     1       6.142  -1.390   2.213  1.00  0.00           H  
HETATM   52  H   UNL     1       3.790  -2.678   1.629  1.00  0.00           H  
HETATM   53  H   UNL     1       3.878  -3.572   0.087  1.00  0.00           H  
HETATM   54  H   UNL     1       6.431   1.381  -1.600  1.00  0.00           H  
HETATM   55  H   UNL     1       4.961   2.024  -2.371  1.00  0.00           H  
HETATM   56  H   UNL     1       5.267  -5.345   2.534  1.00  0.00           H  
HETATM   57  H   UNL     1       6.746  -6.265   2.167  1.00  0.00           H  
HETATM   58  H   UNL     1       6.860  -4.686   2.980  1.00  0.00           H  
HETATM   59  H   UNL     1       4.254   3.004  -0.205  1.00  0.00           H  
HETATM   60  H   UNL     1       5.724   2.361   0.566  1.00  0.00           H  
HETATM   61  H   UNL     1       7.122   3.701  -0.983  1.00  0.00           H  
HETATM   62  H   UNL     1       5.652   4.344  -1.754  1.00  0.00           H  
HETATM   63  H   UNL     1       7.752   4.457   1.218  1.00  0.00           H  
HETATM   64  H   UNL     1       6.267   3.665   1.798  1.00  0.00           H  
HETATM   65  H   UNL     1       5.475   5.790   2.755  1.00  0.00           H  
HETATM   66  H   UNL     1       7.093   5.409   3.391  1.00  0.00           H  
HETATM   67  H   UNL     1       6.807   8.295   0.453  1.00  0.00           H  
HETATM   68  H   UNL     1       5.304   7.514   1.001  1.00  0.00           H  
HETATM   69  H   UNL     1       5.975   6.590  -1.181  1.00  0.00           H  
HETATM   70  H   UNL     1       7.581   6.175  -0.533  1.00  0.00           H  
HETATM   71  H   UNL     1       2.431  -3.586  -0.842  1.00  0.00           H  
HETATM   72  H   UNL     1       0.216  -4.655  -0.867  1.00  0.00           H  
HETATM   73  H   UNL     1       0.558   0.258  -0.580  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.735  -1.077   0.052  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.762   0.395  -0.188  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.861   0.060  -2.643  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.834  -1.412  -2.403  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.131  -1.270  -1.624  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.845   3.624  -2.107  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.801   2.255  -2.209  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.283   0.337  -2.140  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.464  -1.160  -1.632  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.220  -1.565   0.009  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.040  -0.069  -0.498  1.00  0.00           H  
HETATM   85  H   UNL     1     -10.740   1.581   1.139  1.00  0.00           H  
HETATM   86  H   UNL     1     -11.424   1.996   3.468  1.00  0.00           H  
HETATM   87  H   UNL     1     -10.784   0.411   5.240  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.461  -1.590   4.684  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.785  -2.010   2.353  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.304  -0.189   0.590  1.00  0.00           H  
CONECT    1    2    2    7    5                                       
CONECT    2    6    3    1    1                                       
CONECT    3    2    4   48   49                                       
CONECT    4    3   40   50   51                                       
CONECT    5    1   40   52   53                                       
CONECT    6    9   38    2                                            
CONECT    7   38   38    1    8                                       
CONECT    8    7   21   17   17                                       
CONECT    9   11    6   54   55                                       
CONECT   10   45   56   57   58                                       
CONECT   11   12    9   59   60                                       
CONECT   12   39   11   61   62                                       
CONECT   13   14   39   63   64                                       
CONECT   14   44   13   65   66                                       
CONECT   15   44   16   67   68                                       
CONECT   16   15   39   69   70                                       
CONECT   17    8    8   18   71                                       
CONECT   18   19   19   17   72                                       
CONECT   19   20   18   18   46                                       
CONECT   20   22   21   21   19                                       
CONECT   21   20   20    8   73                                       
CONECT   22   23   20   74   75                                       
CONECT   23   24   22   76   77                                       
CONECT   24   25   23   29   29                                       
CONECT   25   26   26   24   78                                       
CONECT   26   30   25   25   27                                       
CONECT   27   26   28   28   47                                       
CONECT   28   27   27   29   79                                       
CONECT   29   24   24   28   80                                       
CONECT   30   26   41   81   82                                       
CONECT   31   41   32   83   84                                       
CONECT   32   31   33   33   37                                       
CONECT   33   32   32   34   85                                       
CONECT   34   33   35   35   86                                       
CONECT   35   34   34   36   87                                       
CONECT   36   37   37   35   88                                       
CONECT   37   32   36   36   89                                       
CONECT   38    6    7    7                                            
CONECT   39   16   13   12                                            
CONECT   40    4    5   45                                            
CONECT   41   30   31   90                                            
CONECT   42   45   45                                                 
CONECT   43   45   45                                                 
CONECT   44   15   14                                                 
CONECT   45   40   10   42   42                                       
CONECT   45   43   43                                                 
CONECT   46   19                                                      
CONECT   47   27                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   15                                                      
CONECT   69   16                                                      
CONECT   70   16                                                      
CONECT   71   17                                                      
CONECT   72   18                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   25                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   30                                                      
CONECT   83   31                                                      
CONECT   84   31                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   41                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
