COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      10.295  -5.030  -4.248  1.00  0.00          Cl  
HETATM    2  C   UNL     1      10.377  -3.632  -3.221  1.00  0.00           C  
HETATM    3  C   UNL     1      11.207  -3.639  -2.112  1.00  0.00           C  
HETATM    4  C   UNL     1      11.277  -2.531  -1.293  1.00  0.00           C  
HETATM    5  C   UNL     1       9.618  -2.513  -3.517  1.00  0.00           C  
HETATM    6  C   UNL     1       9.681  -1.399  -2.705  1.00  0.00           C  
HETATM    7  C   UNL     1      10.510  -1.403  -1.584  1.00  0.00           C  
HETATM    8  C   UNL     1      10.580  -0.210  -0.707  1.00  0.00           C  
HETATM    9  C   UNL     1      10.686  -0.451   0.745  1.00  0.00           C  
HETATM   10  C   UNL     1       9.995  -1.528   1.432  1.00  0.00           C  
HETATM   11  C   UNL     1       9.067  -2.488   0.731  1.00  0.00           C  
HETATM   12  N   UNL     1      10.549   0.947  -1.286  1.00  0.00           N  
HETATM   13  C   UNL     1      10.511   2.202  -0.532  1.00  0.00           C  
HETATM   14  C   UNL     1      11.767   2.321   0.291  1.00  0.00           C  
HETATM   15  N   UNL     1      12.670   3.257   0.238  1.00  0.00           N  
HETATM   16  N   UNL     1      13.605   3.007   1.089  1.00  0.00           N  
HETATM   17  C   UNL     1      13.340   1.897   1.731  1.00  0.00           C  
HETATM   18  C   UNL     1      14.183   1.255   2.802  1.00  0.00           C  
HETATM   19  N   UNL     1      12.162   1.438   1.245  1.00  0.00           N  
HETATM   20  C   UNL     1      11.450   0.301   1.613  1.00  0.00           C  
HETATM   21  S   UNL     1      11.364  -0.322   3.199  1.00  0.00           S  
HETATM   22  C   UNL     1      10.253  -1.592   2.727  1.00  0.00           C  
HETATM   23  C   UNL     1       9.670  -2.615   3.668  1.00  0.00           C  
HETATM   24  C   UNL     1       9.292   2.207   0.392  1.00  0.00           C  
HETATM   25  C   UNL     1       8.033   2.203  -0.437  1.00  0.00           C  
HETATM   26  O   UNL     1       8.104   2.196  -1.648  1.00  0.00           O  
HETATM   27  N   UNL     1       6.828   2.206   0.167  1.00  0.00           N  
HETATM   28  C   UNL     1       5.605   2.202  -0.639  1.00  0.00           C  
HETATM   29  C   UNL     1       4.385   2.207   0.285  1.00  0.00           C  
HETATM   30  C   UNL     1       3.108   2.203  -0.557  1.00  0.00           C  
HETATM   31  C   UNL     1       1.888   2.208   0.368  1.00  0.00           C  
HETATM   32  C   UNL     1       0.610   2.204  -0.474  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.609   2.208   0.450  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.887   2.204  -0.392  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.106   2.209   0.532  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.384   2.205  -0.309  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.603   2.210   0.615  1.00  0.00           C  
HETATM   38  N   UNL     1      -6.826   2.206  -0.191  1.00  0.00           N  
HETATM   39  C   UNL     1      -8.031   2.210   0.413  1.00  0.00           C  
HETATM   40  O   UNL     1      -8.103   2.216   1.623  1.00  0.00           O  
HETATM   41  C   UNL     1      -9.290   2.205  -0.416  1.00  0.00           C  
HETATM   42  C   UNL     1     -10.509   2.210   0.508  1.00  0.00           C  
HETATM   43  C   UNL     1     -11.765   2.322  -0.316  1.00  0.00           C  
HETATM   44  N   UNL     1     -12.670   3.257  -0.271  1.00  0.00           N  
HETATM   45  N   UNL     1     -13.605   2.998  -1.119  1.00  0.00           N  
HETATM   46  C   UNL     1     -13.339   1.883  -1.750  1.00  0.00           C  
HETATM   47  C   UNL     1     -14.181   1.230  -2.817  1.00  0.00           C  
HETATM   48  N   UNL     1     -12.161   1.429  -1.261  1.00  0.00           N  
HETATM   49  C   UNL     1     -11.441   0.286  -1.620  1.00  0.00           C  
HETATM   50  C   UNL     1     -10.679  -0.455  -0.742  1.00  0.00           C  
HETATM   51  C   UNL     1      -9.989  -1.543  -1.414  1.00  0.00           C  
HETATM   52  C   UNL     1      -9.048  -2.482  -0.705  1.00  0.00           C  
HETATM   53  C   UNL     1     -10.263  -1.635  -2.705  1.00  0.00           C  
HETATM   54  C   UNL     1      -9.688  -2.675  -3.631  1.00  0.00           C  
HETATM   55  S   UNL     1     -11.385  -0.379  -3.190  1.00  0.00           S  
HETATM   56  C   UNL     1     -10.579  -0.200   0.708  1.00  0.00           C  
HETATM   57  N   UNL     1     -10.547   0.963   1.275  1.00  0.00           N  
HETATM   58  C   UNL     1     -10.508  -1.383   1.597  1.00  0.00           C  
HETATM   59  C   UNL     1      -9.783  -1.323   2.787  1.00  0.00           C  
HETATM   60  C   UNL     1      -9.720  -2.427   3.611  1.00  0.00           C  
HETATM   61  C   UNL     1     -10.377  -3.595   3.258  1.00  0.00           C  
HETATM   62 CL   UNL     1     -10.294  -4.981   4.300  1.00  0.00          Cl  
HETATM   63  C   UNL     1     -11.098  -3.660   2.078  1.00  0.00           C  
HETATM   64  C   UNL     1     -11.172  -2.560   1.250  1.00  0.00           C  
HETATM   65  H   UNL     1      11.800  -4.513  -1.888  1.00  0.00           H  
HETATM   66  H   UNL     1      11.924  -2.537  -0.429  1.00  0.00           H  
HETATM   67  H   UNL     1       8.976  -2.511  -4.386  1.00  0.00           H  
HETATM   68  H   UNL     1       9.088  -0.527  -2.937  1.00  0.00           H  
HETATM   69  H   UNL     1       8.072  -2.048   0.666  1.00  0.00           H  
HETATM   70  H   UNL     1       9.442  -2.688  -0.273  1.00  0.00           H  
HETATM   71  H   UNL     1       9.017  -3.420   1.293  1.00  0.00           H  
HETATM   72  H   UNL     1      10.447   3.041  -1.224  1.00  0.00           H  
HETATM   73  H   UNL     1      13.882   1.635   3.778  1.00  0.00           H  
HETATM   74  H   UNL     1      14.043   0.174   2.775  1.00  0.00           H  
HETATM   75  H   UNL     1      15.233   1.490   2.628  1.00  0.00           H  
HETATM   76  H   UNL     1      10.324  -3.487   3.706  1.00  0.00           H  
HETATM   77  H   UNL     1       9.582  -2.183   4.665  1.00  0.00           H  
HETATM   78  H   UNL     1       8.684  -2.915   3.314  1.00  0.00           H  
HETATM   79  H   UNL     1       9.312   1.320   1.026  1.00  0.00           H  
HETATM   80  H   UNL     1       9.312   3.100   1.016  1.00  0.00           H  
HETATM   81  H   UNL     1       6.771   2.211   1.135  1.00  0.00           H  
HETATM   82  H   UNL     1       5.584   3.089  -1.273  1.00  0.00           H  
HETATM   83  H   UNL     1       5.584   1.309  -1.263  1.00  0.00           H  
HETATM   84  H   UNL     1       4.406   1.320   0.919  1.00  0.00           H  
HETATM   85  H   UNL     1       4.406   3.100   0.910  1.00  0.00           H  
HETATM   86  H   UNL     1       3.087   3.089  -1.190  1.00  0.00           H  
HETATM   87  H   UNL     1       3.087   1.309  -1.181  1.00  0.00           H  
HETATM   88  H   UNL     1       1.909   1.321   1.001  1.00  0.00           H  
HETATM   89  H   UNL     1       1.909   3.101   0.992  1.00  0.00           H  
HETATM   90  H   UNL     1       0.590   3.090  -1.108  1.00  0.00           H  
HETATM   91  H   UNL     1       0.590   1.310  -1.099  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.588   1.322   1.084  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.588   3.102   1.074  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.907   3.091  -1.025  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.908   1.311  -1.016  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.085   1.323   1.166  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.085   3.102   1.157  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.404   3.092  -0.943  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.405   1.312  -0.934  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.582   1.323   1.248  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.582   3.103   1.239  1.00  0.00           H  
HETATM  102  H   UNL     1      -6.769   2.201  -1.160  1.00  0.00           H  
HETATM  103  H   UNL     1      -9.311   3.092  -1.050  1.00  0.00           H  
HETATM  104  H   UNL     1      -9.311   1.312  -1.041  1.00  0.00           H  
HETATM  105  H   UNL     1     -10.445   3.057   1.192  1.00  0.00           H  
HETATM  106  H   UNL     1     -13.880   1.602  -3.796  1.00  0.00           H  
HETATM  107  H   UNL     1     -14.041   0.150  -2.780  1.00  0.00           H  
HETATM  108  H   UNL     1     -15.231   1.467  -2.646  1.00  0.00           H  
HETATM  109  H   UNL     1      -9.588  -3.379  -0.404  1.00  0.00           H  
HETATM  110  H   UNL     1      -8.234  -2.756  -1.377  1.00  0.00           H  
HETATM  111  H   UNL     1      -8.640  -1.989   0.177  1.00  0.00           H  
HETATM  112  H   UNL     1     -10.338  -3.550  -3.643  1.00  0.00           H  
HETATM  113  H   UNL     1      -9.614  -2.264  -4.638  1.00  0.00           H  
HETATM  114  H   UNL     1      -8.697  -2.964  -3.282  1.00  0.00           H  
HETATM  115  H   UNL     1      -9.270  -0.413   3.062  1.00  0.00           H  
HETATM  116  H   UNL     1      -9.158  -2.382   4.532  1.00  0.00           H  
HETATM  117  H   UNL     1     -11.608  -4.573   1.808  1.00  0.00           H  
HETATM  118  H   UNL     1     -11.738  -2.611   0.332  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    5                                       
CONECT    3    2    2    4   65                                       
CONECT    4    3    7    7   66                                       
CONECT    5    2    6    6   67                                       
CONECT    6    5    5    7   68                                       
CONECT    7    4    4    6    8                                       
CONECT    8    7    9   12   12                                       
CONECT    9   10    8   20   20                                       
CONECT   10   11   22   22    9                                       
CONECT   11   10   69   70   71                                       
CONECT   12    8    8   13                                            
CONECT   13   12   24   14   72                                       
CONECT   14   13   19   15   15                                       
CONECT   15   14   14   16                                            
CONECT   16   17   17   15                                            
CONECT   17   19   18   16   16                                       
CONECT   18   17   73   74   75                                       
CONECT   19   20   14   17                                            
CONECT   20    9    9   21   19                                       
CONECT   21   22   20                                                 
CONECT   22   10   10   23   21                                       
CONECT   23   22   76   77   78                                       
CONECT   24   25   13   79   80                                       
CONECT   25   26   26   27   24                                       
CONECT   26   25   25                                                 
CONECT   27   28   25   81                                            
CONECT   28   29   27   82   83                                       
CONECT   29   30   28   84   85                                       
CONECT   30   31   29   86   87                                       
CONECT   31   32   30   88   89                                       
CONECT   32   33   31   90   91                                       
CONECT   33   34   32   92   93                                       
CONECT   34   35   33   94   95                                       
CONECT   35   36   34   96   97                                       
CONECT   36   37   35   98   99                                       
CONECT   37   38   36  100  101                                       
CONECT   38   39   37  102                                            
CONECT   39   41   40   40   38                                       
CONECT   40   39   39                                                 
CONECT   41   42   39  103  104                                       
CONECT   42   43   41   57  105                                       
CONECT   43   44   44   48   42                                       
CONECT   44   45   43   43                                            
CONECT   45   44   46   46                                            
CONECT   46   45   45   47   48                                       
CONECT   47   46  106  107  108                                       
CONECT   48   46   43   49                                            
CONECT   49   48   55   50   50                                       
CONECT   50   49   49   56   51                                       
CONECT   51   50   53   53   52                                       
CONECT   52   51  109  110  111                                       
CONECT   53   55   54   51   51                                       
CONECT   54   53  112  113  114                                       
CONECT   55   49   53                                                 
CONECT   56   57   57   50   58                                       
CONECT   57   42   56   56                                            
CONECT   58   56   64   64   59                                       
CONECT   59   58   60   60  115                                       
CONECT   60   59   59   61  116                                       
CONECT   61   63   63   60   62                                       
CONECT   62   61                                                      
CONECT   63   64   61   61  117                                       
CONECT   64   58   58   63  118                                       
CONECT   65    3                                                      
CONECT   66    4                                                      
CONECT   67    5                                                      
CONECT   68    6                                                      
CONECT   69   11                                                      
CONECT   70   11                                                      
CONECT   71   11                                                      
CONECT   72   13                                                      
CONECT   73   18                                                      
CONECT   74   18                                                      
CONECT   75   18                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   24                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   28                                                      
CONECT   84   29                                                      
CONECT   85   29                                                      
CONECT   86   30                                                      
CONECT   87   30                                                      
CONECT   88   31                                                      
CONECT   89   31                                                      
CONECT   90   32                                                      
CONECT   91   32                                                      
CONECT   92   33                                                      
CONECT   93   33                                                      
CONECT   94   34                                                      
CONECT   95   34                                                      
CONECT   96   35                                                      
CONECT   97   35                                                      
CONECT   98   36                                                      
CONECT   99   36                                                      
CONECT  100   37                                                      
CONECT  101   37                                                      
CONECT  102   38                                                      
CONECT  103   41                                                      
CONECT  104   41                                                      
CONECT  105   42                                                      
CONECT  106   47                                                      
CONECT  107   47                                                      
CONECT  108   47                                                      
CONECT  109   52                                                      
CONECT  110   52                                                      
CONECT  111   52                                                      
CONECT  112   54                                                      
CONECT  113   54                                                      
CONECT  114   54                                                      
CONECT  115   59                                                      
CONECT  116   60                                                      
CONECT  117   63                                                      
CONECT  118   64                                                      
MASTER        0    0    0    0    0    0    0    0  118    0  118    0
END
