COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.191   1.443   2.316  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.879  -0.224  -0.413  1.00  0.00           C  
HETATM    3  C   UNL     1     -12.838  -0.728  -0.756  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.640   0.561  -1.471  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.215   0.009  -1.550  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.222   1.331   0.849  1.00  0.00           C  
HETATM    7  C   UNL     1       0.562  -0.820   1.902  1.00  0.00           C  
HETATM    8  C   UNL     1       0.767   0.371   2.875  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.949  -0.705   1.584  1.00  0.00           C  
HETATM   10  C   UNL     1       0.832   5.776  -1.747  1.00  0.00           C  
HETATM   11  C   UNL     1       1.714   5.831  -0.780  1.00  0.00           C  
HETATM   12  C   UNL     1       1.369   5.296   0.586  1.00  0.00           C  
HETATM   13  C   UNL     1       2.357   5.569   1.722  1.00  0.00           C  
HETATM   14  C   UNL     1       2.232   4.160   1.138  1.00  0.00           C  
HETATM   15  C   UNL     1       0.570   2.404   1.439  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.130   0.502  -0.023  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.543   0.220  -0.199  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.220   0.501  -0.285  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.651   2.013  -1.954  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.563  -0.278  -2.356  1.00  0.00           C  
HETATM   21  C   UNL     1       1.329  -3.063   1.760  1.00  0.00           C  
HETATM   22  C   UNL     1       1.638  -4.309   2.331  1.00  0.00           C  
HETATM   23  C   UNL     1       2.261  -5.108   0.273  1.00  0.00           C  
HETATM   24  C   UNL     1       2.744  -6.144  -0.545  1.00  0.00           C  
HETATM   25  C   UNL     1       2.908  -5.933  -1.878  1.00  0.00           C  
HETATM   26  C   UNL     1       2.602  -4.695  -2.452  1.00  0.00           C  
HETATM   27  C   UNL     1       2.131  -3.666  -1.686  1.00  0.00           C  
HETATM   28  C   UNL     1       1.950  -3.852  -0.306  1.00  0.00           C  
HETATM   29  C   UNL     1       3.272  -5.624  -4.535  1.00  0.00           C  
HETATM   30  C   UNL     1       3.362   3.662   0.275  1.00  0.00           C  
HETATM   31  C   UNL     1       5.356   1.183  -0.308  1.00  0.00           C  
HETATM   32  C   UNL     1       6.614   0.460  -0.794  1.00  0.00           C  
HETATM   33  C   UNL     1       6.740   1.731   0.047  1.00  0.00           C  
HETATM   34  C   UNL     1     -11.700   0.249  -0.457  1.00  0.00           C  
HETATM   35  C   UNL     1     -10.358  -0.476  -0.585  1.00  0.00           C  
HETATM   36  C   UNL     1       4.549   0.522   0.811  1.00  0.00           C  
HETATM   37  N   UNL     1       1.569   3.144   1.959  1.00  0.00           N  
HETATM   38  N   UNL     1      -1.213   0.744   1.522  1.00  0.00           N  
HETATM   39  N   UNL     1      -4.495   1.028   0.053  1.00  0.00           N  
HETATM   40  N   UNL     1       2.091  -5.292   1.588  1.00  0.00           N  
HETATM   41  N   UNL     1       1.489  -2.861   0.468  1.00  0.00           N  
HETATM   42  N   UNL     1       3.126   2.739  -0.678  1.00  0.00           N  
HETATM   43  O   UNL     1       0.283   2.512   0.266  1.00  0.00           O  
HETATM   44  O   UNL     1      -2.401   2.527   0.945  1.00  0.00           O  
HETATM   45  O   UNL     1      -5.357  -0.945  -0.489  1.00  0.00           O  
HETATM   46  O   UNL     1      -6.798   0.703  -0.129  1.00  0.00           O  
HETATM   47  O   UNL     1       0.857  -2.062   2.544  1.00  0.00           O  
HETATM   48  O   UNL     1       2.776  -4.512  -3.787  1.00  0.00           O  
HETATM   49  O   UNL     1       4.485   4.091   0.437  1.00  0.00           O  
HETATM   50  O   UNL     1       5.107   3.228  -2.004  1.00  0.00           O  
HETATM   51  O   UNL     1       3.766   1.198  -2.450  1.00  0.00           O  
HETATM   52  S   UNL     1       4.386   2.095  -1.539  1.00  0.00           S  
HETATM   53 CL   UNL     1       1.420  -4.551   4.036  1.00  0.00          Cl  
HETATM   54  H   UNL     1      -0.662   1.984   3.137  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.844  -1.051   0.296  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.769  -0.610  -1.427  1.00  0.00           H  
HETATM   57  H   UNL     1     -13.794  -0.211  -0.665  1.00  0.00           H  
HETATM   58  H   UNL     1     -12.729  -1.114  -1.770  1.00  0.00           H  
HETATM   59  H   UNL     1     -12.803  -1.555  -0.047  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.192  -0.999  -1.134  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.895  -0.021  -2.592  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.544   0.652  -0.982  1.00  0.00           H  
HETATM   63  H   UNL     1       1.162  -0.696   1.000  1.00  0.00           H  
HETATM   64  H   UNL     1       1.799   0.722   2.843  1.00  0.00           H  
HETATM   65  H   UNL     1       0.484   0.093   3.890  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.172  -1.172   0.624  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.540  -1.165   2.376  1.00  0.00           H  
HETATM   68  H   UNL     1       1.079   6.159  -2.726  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.142   5.346  -1.565  1.00  0.00           H  
HETATM   70  H   UNL     1       2.688   6.260  -0.961  1.00  0.00           H  
HETATM   71  H   UNL     1       0.308   5.288   0.834  1.00  0.00           H  
HETATM   72  H   UNL     1       3.257   6.135   1.481  1.00  0.00           H  
HETATM   73  H   UNL     1       1.946   5.740   2.717  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.119  -0.532   0.322  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.329   0.887   0.728  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.255   1.328  -0.995  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.302   2.055  -2.985  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.666   2.407  -1.897  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.993   2.611  -1.323  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.555  -1.312  -2.012  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.577   0.116  -2.300  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.214  -0.236  -3.388  1.00  0.00           H  
HETATM   83  H   UNL     1       2.985  -7.106  -0.116  1.00  0.00           H  
HETATM   84  H   UNL     1       3.280  -6.732  -2.503  1.00  0.00           H  
HETATM   85  H   UNL     1       1.898  -2.714  -2.140  1.00  0.00           H  
HETATM   86  H   UNL     1       3.364  -5.345  -5.584  1.00  0.00           H  
HETATM   87  H   UNL     1       4.249  -5.915  -4.149  1.00  0.00           H  
HETATM   88  H   UNL     1       2.581  -6.462  -4.441  1.00  0.00           H  
HETATM   89  H   UNL     1       6.866  -0.487  -0.317  1.00  0.00           H  
HETATM   90  H   UNL     1       6.858   0.532  -1.854  1.00  0.00           H  
HETATM   91  H   UNL     1       7.067   2.639  -0.459  1.00  0.00           H  
HETATM   92  H   UNL     1       7.076   1.621   1.079  1.00  0.00           H  
HETATM   93  H   UNL     1     -11.734   1.076  -1.166  1.00  0.00           H  
HETATM   94  H   UNL     1     -11.809   0.635   0.557  1.00  0.00           H  
HETATM   95  H   UNL     1     -10.249  -0.862  -1.598  1.00  0.00           H  
HETATM   96  H   UNL     1     -10.323  -1.303   0.125  1.00  0.00           H  
HETATM   97  H   UNL     1       5.178   0.411   1.695  1.00  0.00           H  
HETATM   98  H   UNL     1       3.688   1.145   1.054  1.00  0.00           H  
HETATM   99  H   UNL     1       4.208  -0.459   0.482  1.00  0.00           H  
HETATM  100  H   UNL     1       1.849   3.004   2.877  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.644   1.958   0.285  1.00  0.00           H  
HETATM  102  H   UNL     1       2.217   2.451  -0.860  1.00  0.00           H  
CONECT    1    8   15   38   54                                       
CONECT    2   18   46   55   56                                       
CONECT    3   34   57   58   59                                       
CONECT    4    5   16   19   20                                       
CONECT    5    4   60   61   62                                       
CONECT    6   16   38   44   44                                       
CONECT    7    8    9   47   63                                       
CONECT    8    1    7   64   65                                       
CONECT    9    7   38   66   67                                       
CONECT   10   11   11   68   69                                       
CONECT   11   10   10   12   70                                       
CONECT   12   11   13   14   71                                       
CONECT   13   12   14   72   73                                       
CONECT   14   12   13   30   37                                       
CONECT   15    1   37   43   43                                       
CONECT   16    4    6   39   74                                       
CONECT   17   39   45   45   46                                       
CONECT   18    2   35   75   76                                       
CONECT   19    4   77   78   79                                       
CONECT   20    4   80   81   82                                       
CONECT   21   22   22   41   47                                       
CONECT   22   21   21   40   53                                       
CONECT   23   24   28   40   40                                       
CONECT   24   23   25   25   83                                       
CONECT   25   24   24   26   84                                       
CONECT   26   25   27   27   48                                       
CONECT   27   26   26   28   85                                       
CONECT   28   23   27   41   41                                       
CONECT   29   48   86   87   88                                       
CONECT   30   14   42   49   49                                       
CONECT   31   32   33   36   52                                       
CONECT   32   31   33   89   90                                       
CONECT   33   31   32   91   92                                       
CONECT   34    3   35   93   94                                       
CONECT   35   18   34   95   96                                       
CONECT   36   31   97   98   99                                       
CONECT   37   14   15  100                                            
CONECT   38    1    6    9                                            
CONECT   39   16   17  101                                            
CONECT   40   22   23   23                                            
CONECT   41   21   28   28                                            
CONECT   42   30   52  102                                            
CONECT   43   15   15                                                 
CONECT   44    6    6                                                 
CONECT   45   17   17                                                 
CONECT   46    2   17                                                 
CONECT   47    7   21                                                 
CONECT   48   26   29                                                 
CONECT   49   30   30                                                 
CONECT   50   52   52                                                 
CONECT   51   52   52                                                 
CONECT   52   31   42   50   50                                       
CONECT   52   51   51                                                 
CONECT   53   22                                                      
CONECT   54    1                                                      
CONECT   55    2                                                      
CONECT   56    2                                                      
CONECT   57    3                                                      
CONECT   58    3                                                      
CONECT   59    3                                                      
CONECT   60    5                                                      
CONECT   61    5                                                      
CONECT   62    5                                                      
CONECT   63    7                                                      
CONECT   64    8                                                      
CONECT   65    8                                                      
CONECT   66    9                                                      
CONECT   67    9                                                      
CONECT   68   10                                                      
CONECT   69   10                                                      
CONECT   70   11                                                      
CONECT   71   12                                                      
CONECT   72   13                                                      
CONECT   73   13                                                      
CONECT   74   16                                                      
CONECT   75   18                                                      
CONECT   76   18                                                      
CONECT   77   19                                                      
CONECT   78   19                                                      
CONECT   79   19                                                      
CONECT   80   20                                                      
CONECT   81   20                                                      
CONECT   82   20                                                      
CONECT   83   24                                                      
CONECT   84   25                                                      
CONECT   85   27                                                      
CONECT   86   29                                                      
CONECT   87   29                                                      
CONECT   88   29                                                      
CONECT   89   32                                                      
CONECT   90   32                                                      
CONECT   91   33                                                      
CONECT   92   33                                                      
CONECT   93   34                                                      
CONECT   94   34                                                      
CONECT   95   35                                                      
CONECT   96   35                                                      
CONECT   97   36                                                      
CONECT   98   36                                                      
CONECT   99   36                                                      
CONECT  100   37                                                      
CONECT  101   39                                                      
CONECT  102   42                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
