COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.374   2.224   0.202  1.00  0.00           C  
HETATM    2  O   UNL     1     -11.470  -1.522   1.161  1.00  0.00           O  
HETATM    3  C   UNL     1     -11.390  -0.434   0.630  1.00  0.00           C  
HETATM    4  N   UNL     1     -10.460  -0.215  -0.321  1.00  0.00           N  
HETATM    5  C   UNL     1      -9.545  -1.291  -0.712  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.597  -0.783  -1.801  1.00  0.00           C  
HETATM    7  O   UNL     1      -7.764   0.246  -1.264  1.00  0.00           O  
HETATM    8  C   UNL     1      -6.836   0.792  -2.204  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.000   1.878  -1.524  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.198   1.290  -0.499  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.563   1.488   1.270  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.655   0.582   0.639  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.845  -0.160   1.553  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.917  -1.091   0.771  1.00  0.00           C  
HETATM   15  O   UNL     1       0.000  -0.312   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       0.917  -1.090  -0.773  1.00  0.00           C  
HETATM   17  C   UNL     1       1.845  -0.157  -1.553  1.00  0.00           C  
HETATM   18  O   UNL     1       2.655   0.584  -0.638  1.00  0.00           O  
HETATM   19  C   UNL     1       3.563   1.490  -1.268  1.00  0.00           C  
HETATM   20  C   UNL     1       4.374   2.225  -0.199  1.00  0.00           C  
HETATM   21  O   UNL     1       5.198   1.290   0.501  1.00  0.00           O  
HETATM   22  C   UNL     1       6.000   1.877   1.527  1.00  0.00           C  
HETATM   23  C   UNL     1       6.836   0.790   2.205  1.00  0.00           C  
HETATM   24  O   UNL     1       7.764   0.245   1.264  1.00  0.00           O  
HETATM   25  C   UNL     1       8.598  -0.784   1.799  1.00  0.00           C  
HETATM   26  C   UNL     1       9.546  -1.290   0.710  1.00  0.00           C  
HETATM   27  N   UNL     1      10.460  -0.214   0.320  1.00  0.00           N  
HETATM   28  C   UNL     1      11.390  -0.432  -0.631  1.00  0.00           C  
HETATM   29  C   UNL     1      12.331   0.675  -1.032  1.00  0.00           C  
HETATM   30  C   UNL     1      13.279   0.169  -2.121  1.00  0.00           C  
HETATM   31  C   UNL     1      14.143   1.304  -2.604  1.00  0.00           C  
HETATM   32  N   UNL     1      14.224   1.789  -3.810  1.00  0.00           N  
HETATM   33  N   UNL     1      15.083   2.750  -3.835  1.00  0.00           N  
HETATM   34  C   UNL     1      15.589   2.927  -2.641  1.00  0.00           C  
HETATM   35  C   UNL     1      16.627   3.946  -2.247  1.00  0.00           C  
HETATM   36  N   UNL     1      14.999   2.018  -1.828  1.00  0.00           N  
HETATM   37  N   UNL     1      14.134  -0.887  -1.574  1.00  0.00           N  
HETATM   38  C   UNL     1      14.898  -0.698  -0.547  1.00  0.00           C  
HETATM   39  C   UNL     1      15.633  -1.876  -0.030  1.00  0.00           C  
HETATM   40  C   UNL     1      15.079  -3.151  -0.142  1.00  0.00           C  
HETATM   41  C   UNL     1      15.768  -4.245   0.341  1.00  0.00           C  
HETATM   42  C   UNL     1      17.007  -4.078   0.937  1.00  0.00           C  
HETATM   43 CL   UNL     1      17.868  -5.458   1.543  1.00  0.00          Cl  
HETATM   44  C   UNL     1      17.562  -2.814   1.050  1.00  0.00           C  
HETATM   45  C   UNL     1      16.884  -1.715   0.565  1.00  0.00           C  
HETATM   46  C   UNL     1      15.105   0.583   0.158  1.00  0.00           C  
HETATM   47  C   UNL     1      15.183   1.815  -0.458  1.00  0.00           C  
HETATM   48  S   UNL     1      15.532   3.042   0.674  1.00  0.00           S  
HETATM   49  C   UNL     1      15.498   1.920   2.021  1.00  0.00           C  
HETATM   50  C   UNL     1      15.708   2.305   3.463  1.00  0.00           C  
HETATM   51  C   UNL     1      15.262   0.690   1.598  1.00  0.00           C  
HETATM   52  C   UNL     1      15.166  -0.494   2.526  1.00  0.00           C  
HETATM   53  O   UNL     1      11.470  -1.519  -1.163  1.00  0.00           O  
HETATM   54  C   UNL     1     -12.331   0.672   1.033  1.00  0.00           C  
HETATM   55  C   UNL     1     -13.279   0.164   2.121  1.00  0.00           C  
HETATM   56  C   UNL     1     -14.143   1.298   2.605  1.00  0.00           C  
HETATM   57  N   UNL     1     -14.225   1.781   3.812  1.00  0.00           N  
HETATM   58  N   UNL     1     -15.084   2.741   3.839  1.00  0.00           N  
HETATM   59  C   UNL     1     -15.590   2.921   2.645  1.00  0.00           C  
HETATM   60  C   UNL     1     -16.629   3.940   2.252  1.00  0.00           C  
HETATM   61  N   UNL     1     -14.999   2.014   1.830  1.00  0.00           N  
HETATM   62  N   UNL     1     -14.134  -0.891   1.572  1.00  0.00           N  
HETATM   63  C   UNL     1     -14.898  -0.701   0.545  1.00  0.00           C  
HETATM   64  C   UNL     1     -15.634  -1.878   0.027  1.00  0.00           C  
HETATM   65  C   UNL     1     -15.071  -3.151   0.119  1.00  0.00           C  
HETATM   66  C   UNL     1     -15.760  -4.244  -0.364  1.00  0.00           C  
HETATM   67  C   UNL     1     -17.008  -4.078  -0.941  1.00  0.00           C  
HETATM   68 CL   UNL     1     -17.869  -5.458  -1.549  1.00  0.00          Cl  
HETATM   69  C   UNL     1     -17.571  -2.817  -1.035  1.00  0.00           C  
HETATM   70  C   UNL     1     -16.893  -1.718  -0.550  1.00  0.00           C  
HETATM   71  C   UNL     1     -15.105   0.581  -0.157  1.00  0.00           C  
HETATM   72  C   UNL     1     -15.182   1.812   0.460  1.00  0.00           C  
HETATM   73  S   UNL     1     -15.531   3.041  -0.671  1.00  0.00           S  
HETATM   74  C   UNL     1     -15.497   1.921  -2.019  1.00  0.00           C  
HETATM   75  C   UNL     1     -15.706   2.309  -3.460  1.00  0.00           C  
HETATM   76  C   UNL     1     -15.262   0.690  -1.597  1.00  0.00           C  
HETATM   77  C   UNL     1     -15.166  -0.493  -2.526  1.00  0.00           C  
HETATM   78  H   UNL     1      -3.695   2.708  -0.500  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.003   2.977   0.678  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.396   0.654  -0.746  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.966  -1.609   0.155  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.119  -2.135  -1.095  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.977  -1.606  -2.155  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.179  -0.383  -2.631  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.179   0.001  -2.567  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.381   1.224  -3.043  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.355   2.355  -2.262  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.663   2.624  -1.084  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.003   2.210   1.863  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.239   0.931   1.919  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.249   0.529   2.152  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.485  -0.751   2.208  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.363  -1.720   1.467  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.509  -1.720   0.105  1.00  0.00           H  
HETATM   95  H   UNL     1       1.509  -1.719  -0.108  1.00  0.00           H  
HETATM   96  H   UNL     1       0.363  -1.718  -1.470  1.00  0.00           H  
HETATM   97  H   UNL     1       2.485  -0.747  -2.209  1.00  0.00           H  
HETATM   98  H   UNL     1       1.249   0.532  -2.151  1.00  0.00           H  
HETATM   99  H   UNL     1       4.239   0.934  -1.918  1.00  0.00           H  
HETATM  100  H   UNL     1       3.002   2.213  -1.860  1.00  0.00           H  
HETATM  101  H   UNL     1       5.002   2.978  -0.674  1.00  0.00           H  
HETATM  102  H   UNL     1       3.695   2.708   0.503  1.00  0.00           H  
HETATM  103  H   UNL     1       6.662   2.623   1.088  1.00  0.00           H  
HETATM  104  H   UNL     1       5.355   2.353   2.265  1.00  0.00           H  
HETATM  105  H   UNL     1       7.381   1.221   3.045  1.00  0.00           H  
HETATM  106  H   UNL     1       6.179  -0.001   2.566  1.00  0.00           H  
HETATM  107  H   UNL     1       9.179  -0.386   2.631  1.00  0.00           H  
HETATM  108  H   UNL     1       7.977  -1.608   2.152  1.00  0.00           H  
HETATM  109  H   UNL     1      10.120  -2.135   1.092  1.00  0.00           H  
HETATM  110  H   UNL     1       8.966  -1.607  -0.157  1.00  0.00           H  
HETATM  111  H   UNL     1      10.396   0.655   0.746  1.00  0.00           H  
HETATM  112  H   UNL     1      11.757   1.519  -1.413  1.00  0.00           H  
HETATM  113  H   UNL     1      12.910   0.992  -0.165  1.00  0.00           H  
HETATM  114  H   UNL     1      12.698  -0.228  -2.954  1.00  0.00           H  
HETATM  115  H   UNL     1      16.133   4.867  -1.937  1.00  0.00           H  
HETATM  116  H   UNL     1      17.222   3.558  -1.420  1.00  0.00           H  
HETATM  117  H   UNL     1      17.276   4.151  -3.098  1.00  0.00           H  
HETATM  118  H   UNL     1      14.113  -3.282  -0.605  1.00  0.00           H  
HETATM  119  H   UNL     1      15.340  -5.232   0.255  1.00  0.00           H  
HETATM  120  H   UNL     1      18.528  -2.690   1.516  1.00  0.00           H  
HETATM  121  H   UNL     1      17.320  -0.730   0.650  1.00  0.00           H  
HETATM  122  H   UNL     1      15.882   3.379   3.530  1.00  0.00           H  
HETATM  123  H   UNL     1      14.823   2.044   4.041  1.00  0.00           H  
HETATM  124  H   UNL     1      16.572   1.772   3.859  1.00  0.00           H  
HETATM  125  H   UNL     1      16.165  -0.885   2.720  1.00  0.00           H  
HETATM  126  H   UNL     1      14.708  -0.184   3.464  1.00  0.00           H  
HETATM  127  H   UNL     1      14.557  -1.270   2.062  1.00  0.00           H  
HETATM  128  H   UNL     1     -11.757   1.516   1.415  1.00  0.00           H  
HETATM  129  H   UNL     1     -12.910   0.990   0.166  1.00  0.00           H  
HETATM  130  H   UNL     1     -12.698  -0.234   2.953  1.00  0.00           H  
HETATM  131  H   UNL     1     -16.135   4.862   1.945  1.00  0.00           H  
HETATM  132  H   UNL     1     -17.223   3.552   1.425  1.00  0.00           H  
HETATM  133  H   UNL     1     -17.279   4.142   3.103  1.00  0.00           H  
HETATM  134  H   UNL     1     -14.097  -3.281   0.568  1.00  0.00           H  
HETATM  135  H   UNL     1     -15.325  -5.230  -0.293  1.00  0.00           H  
HETATM  136  H   UNL     1     -18.545  -2.694  -1.486  1.00  0.00           H  
HETATM  137  H   UNL     1     -17.334  -0.735  -0.623  1.00  0.00           H  
HETATM  138  H   UNL     1     -15.879   3.383  -3.526  1.00  0.00           H  
HETATM  139  H   UNL     1     -14.820   2.047  -4.038  1.00  0.00           H  
HETATM  140  H   UNL     1     -16.570   1.776  -3.858  1.00  0.00           H  
HETATM  141  H   UNL     1     -16.157  -0.925  -2.668  1.00  0.00           H  
HETATM  142  H   UNL     1     -14.771  -0.168  -3.489  1.00  0.00           H  
HETATM  143  H   UNL     1     -14.502  -1.241  -2.094  1.00  0.00           H  
CONECT    1   10   11   78   79                                       
CONECT    2    3    3                                                 
CONECT    3    4    2    2   54                                       
CONECT    4    5    3   80                                            
CONECT    5    6    4   81   82                                       
CONECT    6    5    7   83   84                                       
CONECT    7    8    6                                                 
CONECT    8    9    7   85   86                                       
CONECT    9    8   10   87   88                                       
CONECT   10    9    1                                                 
CONECT   11    1   12   89   90                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   91   92                                       
CONECT   14   13   15   93   94                                       
CONECT   15   16   14                                                 
CONECT   16   17   15   95   96                                       
CONECT   17   18   16   97   98                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   99  100                                       
CONECT   20   19   21  101  102                                       
CONECT   21   20   22                                                 
CONECT   22   21   23  103  104                                       
CONECT   23   22   24  105  106                                       
CONECT   24   25   23                                                 
CONECT   25   26   24  107  108                                       
CONECT   26   25   27  109  110                                       
CONECT   27   26   28  111                                            
CONECT   28   27   53   53   29                                       
CONECT   29   28   30  112  113                                       
CONECT   30   29   37   31  114                                       
CONECT   31   30   32   32   36                                       
CONECT   32   31   31   33                                            
CONECT   33   32   34   34                                            
CONECT   34   33   33   36   35                                       
CONECT   35   34  115  116  117                                       
CONECT   36   31   34   47                                            
CONECT   37   30   38   38                                            
CONECT   38   37   37   39   46                                       
CONECT   39   40   38   45   45                                       
CONECT   40   41   41   39  118                                       
CONECT   41   40   40   42  119                                       
CONECT   42   41   43   44   44                                       
CONECT   43   42                                                      
CONECT   44   42   42   45  120                                       
CONECT   45   39   39   44  121                                       
CONECT   46   38   47   47   51                                       
CONECT   47   36   46   46   48                                       
CONECT   48   47   49                                                 
CONECT   49   51   51   48   50                                       
CONECT   50   49  122  123  124                                       
CONECT   51   46   52   49   49                                       
CONECT   52   51  125  126  127                                       
CONECT   53   28   28                                                 
CONECT   54    3   55  128  129                                       
CONECT   55   54   62   56  130                                       
CONECT   56   55   57   57   61                                       
CONECT   57   56   56   58                                            
CONECT   58   57   59   59                                            
CONECT   59   58   58   61   60                                       
CONECT   60   59  131  132  133                                       
CONECT   61   56   72   59                                            
CONECT   62   55   63   63                                            
CONECT   63   62   62   64   71                                       
CONECT   64   70   63   65   65                                       
CONECT   65   64   64   66  134                                       
CONECT   66   67   67   65  135                                       
CONECT   67   69   68   66   66                                       
CONECT   68   67                                                      
CONECT   69   70   70   67  136                                       
CONECT   70   69   69   64  137                                       
CONECT   71   63   72   72   76                                       
CONECT   72   61   71   71   73                                       
CONECT   73   72   74                                                 
CONECT   74   76   76   73   75                                       
CONECT   75   74  138  139  140                                       
CONECT   76   71   77   74   74                                       
CONECT   77   76  141  142  143                                       
CONECT   78    1                                                      
CONECT   79    1                                                      
CONECT   80    4                                                      
CONECT   81    5                                                      
CONECT   82    5                                                      
CONECT   83    6                                                      
CONECT   84    6                                                      
CONECT   85    8                                                      
CONECT   86    8                                                      
CONECT   87    9                                                      
CONECT   88    9                                                      
CONECT   89   11                                                      
CONECT   90   11                                                      
CONECT   91   13                                                      
CONECT   92   13                                                      
CONECT   93   14                                                      
CONECT   94   14                                                      
CONECT   95   16                                                      
CONECT   96   16                                                      
CONECT   97   17                                                      
CONECT   98   17                                                      
CONECT   99   19                                                      
CONECT  100   19                                                      
CONECT  101   20                                                      
CONECT  102   20                                                      
CONECT  103   22                                                      
CONECT  104   22                                                      
CONECT  105   23                                                      
CONECT  106   23                                                      
CONECT  107   25                                                      
CONECT  108   25                                                      
CONECT  109   26                                                      
CONECT  110   26                                                      
CONECT  111   27                                                      
CONECT  112   29                                                      
CONECT  113   29                                                      
CONECT  114   30                                                      
CONECT  115   35                                                      
CONECT  116   35                                                      
CONECT  117   35                                                      
CONECT  118   40                                                      
CONECT  119   41                                                      
CONECT  120   44                                                      
CONECT  121   45                                                      
CONECT  122   50                                                      
CONECT  123   50                                                      
CONECT  124   50                                                      
CONECT  125   52                                                      
CONECT  126   52                                                      
CONECT  127   52                                                      
CONECT  128   54                                                      
CONECT  129   54                                                      
CONECT  130   55                                                      
CONECT  131   60                                                      
CONECT  132   60                                                      
CONECT  133   60                                                      
CONECT  134   65                                                      
CONECT  135   66                                                      
CONECT  136   69                                                      
CONECT  137   70                                                      
CONECT  138   75                                                      
CONECT  139   75                                                      
CONECT  140   75                                                      
CONECT  141   77                                                      
CONECT  142   77                                                      
CONECT  143   77                                                      
MASTER        0    0    0    0    0    0    0    0  143    0  143    0
END
