COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   1      -7.995   4.554  -1.589  1.00  0.00           N  
HETATM    2  C   UNK A   1      -7.689   3.156  -1.920  1.00  0.00           C  
HETATM    3  C   UNK A   1      -6.202   3.008  -2.095  1.00  0.00           C  
HETATM    4  O   UNK A   1      -5.484   3.977  -1.958  1.00  0.00           O  
HETATM    5  C   UNK A   1      -8.188   2.267  -0.812  1.00  0.00           C  
HETATM    6  C   UNK A   1      -7.301   1.629   0.032  1.00  0.00           C  
HETATM    7  C   UNK A   1      -7.770   0.803   1.044  1.00  0.00           C  
HETATM    8  C   UNK A   1      -9.145   0.642   1.217  1.00  0.00           C  
HETATM    9  O   UNK A   1      -9.618  -0.153   2.213  1.00  0.00           O  
HETATM   10  C   UNK A   1     -10.029   1.291   0.371  1.00  0.00           C  
HETATM   11  C   UNK A   1      -9.550   2.100  -0.641  1.00  0.00           C  
HETATM   12  O   UNK A   6      -3.127  -4.107  -0.702  1.00  0.00           O  
HETATM   13  C   UNK A   6      -3.420  -3.029  -1.504  1.00  0.00           C  
HETATM   14  C   UNK A   6      -4.681  -2.472  -1.576  1.00  0.00           C  
HETATM   15  C   UNK A   6      -4.880  -1.329  -2.335  1.00  0.00           C  
HETATM   16 CL   UNK A   6      -6.008  -3.198  -0.724  1.00  0.00          Cl  
HETATM   17  C   UNK A   6      -2.388  -2.517  -2.290  1.00  0.00           C  
HETATM   18  C   UNK A   6      -2.590  -1.373  -3.035  1.00  0.00           C  
HETATM   19  C   UNK A   6      -3.824  -0.747  -3.017  1.00  0.00           C  
HETATM   20  C   UNK A   6      -3.989   0.595  -3.675  1.00  0.00           C  
HETATM   21  C   UNK A   6      -4.213   1.673  -2.608  1.00  0.00           C  
HETATM   22  C   UNK A   6      -3.560   1.336  -1.303  1.00  0.00           C  
HETATM   23  O   ACE A   2      -3.407   0.182  -0.974  1.00  0.00           O  
HETATM   24  N   UNK A   6      -5.660   1.818  -2.401  1.00  0.00           N  
HETATM   25  N   UNK A   3      -3.133   2.268  -0.430  1.00  0.00           N  
HETATM   26  O   UNK A   3      -4.301   2.003   5.363  1.00  0.00           O  
HETATM   27  C   UNK A   3      -4.445   1.649   4.057  1.00  0.00           C  
HETATM   28  C   UNK A   3      -3.408   1.868   3.161  1.00  0.00           C  
HETATM   29  C   UNK A   3      -5.633   1.075   3.629  1.00  0.00           C  
HETATM   30  C   UNK A   3      -5.772   0.700   2.299  1.00  0.00           C  
HETATM   31  O   UNK A   1      -6.919   0.132   1.861  1.00  0.00           O  
HETATM   32  C   UNK A   3      -4.727   0.913   1.412  1.00  0.00           C  
HETATM   33  C   UNK A   3      -3.559   1.519   1.827  1.00  0.00           C  
HETATM   34  C   UNK A   3      -2.485   1.868   0.835  1.00  0.00           C  
HETATM   35  C   UNK A   3      -1.496   0.793   0.577  1.00  0.00           C  
HETATM   36  O   UNK A   3      -1.089   0.693  -0.572  1.00  0.00           O  
HETATM   37  N   UNK A   4      -0.960  -0.073   1.439  1.00  0.00           N  
HETATM   38  C   UNK A   4       0.138  -0.925   1.028  1.00  0.00           C  
HETATM   39  C   UNK A   4       1.318  -0.913   1.961  1.00  0.00           C  
HETATM   40  O   UNK A   4       1.248  -1.362   3.082  1.00  0.00           O  
HETATM   41  C   UNK A   6      -0.251  -2.312   0.623  1.00  0.00           C  
HETATM   42  C   UNK A   6      -1.532  -2.620   0.213  1.00  0.00           C  
HETATM   43  C   UNK A   6      -1.846  -3.894  -0.240  1.00  0.00           C  
HETATM   44  C   UNK A   6      -0.905  -4.908  -0.245  1.00  0.00           C  
HETATM   45  O   UNK A   6      -1.229  -6.158  -0.675  1.00  0.00           O  
HETATM   46  C   UNK A   6       0.370  -4.597   0.182  1.00  0.00           C  
HETATM   47  C   UNK A   6       0.693  -3.326   0.636  1.00  0.00           C  
HETATM   48  N   UNK A   5       2.469  -0.376   1.488  1.00  0.00           N  
HETATM   49  C   UNK A   5       3.763  -0.551   2.132  1.00  0.00           C  
HETATM   50  C   UNK A   5       4.605  -1.489   1.304  1.00  0.00           C  
HETATM   51  O   UNK A   5       5.023  -2.474   1.877  1.00  0.00           O  
HETATM   52  C   UNK A   5       4.525   0.756   2.187  1.00  0.00           C  
HETATM   53  C   UNK A   5       5.331   1.021   3.280  1.00  0.00           C  
HETATM   54  C   UNK A   5       6.051   2.201   3.338  1.00  0.00           C  
HETATM   55  C   UNK A   5       5.969   3.111   2.295  1.00  0.00           C  
HETATM   56  O   UNK A   5       6.691   4.265   2.365  1.00  0.00           O  
HETATM   57  C   UNK A   5       5.168   2.861   1.196  1.00  0.00           C  
HETATM   58  C   UNK A   5       4.420   1.667   1.163  1.00  0.00           C  
HETATM   59  N   UNK A   6       4.913  -1.362   0.069  1.00  0.00           N  
HETATM   60  C   UNK A   6       6.042  -1.498  -0.797  1.00  0.00           C  
HETATM   61  O   UNK A   6       1.400  -5.513   0.112  1.00  0.00           O  
HETATM   62  C   UNK A   6       2.272  -3.957  -1.445  1.00  0.00           C  
HETATM   63  C   UNK A   6       3.765  -5.008   0.117  1.00  0.00           C  
HETATM   64  C   UNK A   6       2.490  -4.839  -0.388  1.00  0.00           C  
HETATM   65  C   UNK A   6       4.580  -3.340  -1.412  1.00  0.00           C  
HETATM   66  C   UNK A   6       3.314  -3.202  -1.946  1.00  0.00           C  
HETATM   67  C   UNK A   6       4.806  -4.253  -0.394  1.00  0.00           C  
HETATM   68  C   UNK A   6       5.727  -2.503  -1.925  1.00  0.00           C  
HETATM   69 CL   UNK A   6       4.058  -6.144   1.396  1.00  0.00          Cl  
HETATM   70  O   UNK A   6       7.474  -0.179  -2.026  1.00  0.00           O  
HETATM   71  C   UNK A   6       6.460  -0.180  -1.371  1.00  0.00           C  
HETATM   72  O   UNK A   6       5.353  -1.815  -3.119  1.00  0.00           O  
HETATM   73  N   UNK A   7       5.791   0.964  -1.206  1.00  0.00           N  
HETATM   74  O   UNK A   5       3.844   5.322   1.408  1.00  0.00           O  
HETATM   75  C   UNK A   5       4.354   4.981   0.191  1.00  0.00           C  
HETATM   76  C   UNK A   5       5.030   3.769   0.042  1.00  0.00           C  
HETATM   77  C   UNK A   5       4.169   5.841  -0.875  1.00  0.00           C  
HETATM   78  C   UNK A   5       4.694   5.508  -2.115  1.00  0.00           C  
HETATM   79  O   UNK A   5       4.512   6.336  -3.176  1.00  0.00           O  
HETATM   80  C   UNK A   7       5.400   4.328  -2.267  1.00  0.00           C  
HETATM   81  C   UNK A   7       5.589   3.456  -1.203  1.00  0.00           C  
HETATM   82  C   UNK A   7       6.416   2.242  -1.478  1.00  0.00           C  
HETATM   83  C   UNK A   7       7.694   2.363  -0.688  1.00  0.00           C  
HETATM   84  O   UNK A   7       7.873   1.664   0.281  1.00  0.00           O  
HETATM   85  O   UNK A   7       8.633   3.247  -1.062  1.00  0.00           O  
HETATM   86  H   UNK A   1      -7.689   5.175  -2.323  1.00  0.00           H  
HETATM   87  H   UNK A   1      -8.980   4.674  -1.402  1.00  0.00           H  
HETATM   88  H   UNK A   1      -8.194   2.887  -2.848  1.00  0.00           H  
HETATM   89  H   UNK A   1      -6.240   1.782  -0.093  1.00  0.00           H  
HETATM   90  H   UNK A   1      -9.767   0.311   3.049  1.00  0.00           H  
HETATM   91  H   UNK A   1     -11.094   1.168   0.504  1.00  0.00           H  
HETATM   92  H   UNK A   1     -10.240   2.607  -1.301  1.00  0.00           H  
HETATM   93  H   UNK A   6      -1.433  -3.017  -2.326  1.00  0.00           H  
HETATM   94  H   UNK A   6      -5.867  -0.895  -2.401  1.00  0.00           H  
HETATM   95  H   UNK A   6      -1.784  -0.974  -3.635  1.00  0.00           H  
HETATM   96  H   UNK A   6      -3.089   0.831  -4.248  1.00  0.00           H  
HETATM   97  H   UNK A   6      -4.841   0.570  -4.356  1.00  0.00           H  
HETATM   98  H   UNK A   6      -3.812   2.618  -2.988  1.00  0.00           H  
HETATM   99  H   ACE A   2      -6.235   1.043  -2.480  1.00  0.00           H  
HETATM  100  H   UNK A   3      -3.250   3.207  -0.639  1.00  0.00           H  
HETATM  101  H   UNK A   3      -1.953   2.760   1.211  1.00  0.00           H  
HETATM  102  H   UNK A   3      -4.586   2.906   5.559  1.00  0.00           H  
HETATM  103  H   UNK A   3      -2.484   2.311   3.500  1.00  0.00           H  
HETATM  104  H   UNK A   3      -6.446   0.923   4.323  1.00  0.00           H  
HETATM  105  H   UNK A   3      -4.844   0.589   0.389  1.00  0.00           H  
HETATM  106  H   UNK A   4      -1.307  -0.130   2.337  1.00  0.00           H  
HETATM  107  H   UNK A   4       0.539  -0.452   0.085  1.00  0.00           H  
HETATM  108  H   UNK A   6      -2.301  -1.863   0.254  1.00  0.00           H  
HETATM  109  H   UNK A   6      -1.087  -6.298  -1.621  1.00  0.00           H  
HETATM  110  H   UNK A   6       1.687  -3.120   1.007  1.00  0.00           H  
HETATM  111  H   UNK A   5       2.423   0.159   0.672  1.00  0.00           H  
HETATM  112  H   UNK A   5       3.640  -0.938   3.138  1.00  0.00           H  
HETATM  113  H   UNK A   5       5.397   0.307   4.086  1.00  0.00           H  
HETATM  114  H   UNK A   5       6.681   2.411   4.192  1.00  0.00           H  
HETATM  115  H   UNK A   5       7.577   4.198   1.983  1.00  0.00           H  
HETATM  116  H   UNK A   5       3.745   1.492   0.341  1.00  0.00           H  
HETATM  117  H   UNK A   6       4.130  -1.065  -0.435  1.00  0.00           H  
HETATM  118  H   UNK A   6       6.894  -1.911  -0.235  1.00  0.00           H  
HETATM  119  H   UNK A   6       1.285  -3.858  -1.874  1.00  0.00           H  
HETATM  120  H   UNK A   6       3.133  -2.498  -2.747  1.00  0.00           H  
HETATM  121  H   UNK A   6       5.803  -4.373   0.006  1.00  0.00           H  
HETATM  122  H   UNK A   6       6.595  -3.137  -2.119  1.00  0.00           H  
HETATM  123  H   UNK A   6       5.144  -2.399  -3.861  1.00  0.00           H  
HETATM  124  H   UNK A   7       4.858   0.924  -0.915  1.00  0.00           H  
HETATM  125  H   UNK A   7       6.682   2.269  -2.540  1.00  0.00           H  
HETATM  126  H   UNK A   5       4.458   5.819   1.966  1.00  0.00           H  
HETATM  127  H   UNK A   5       3.623   6.763  -0.743  1.00  0.00           H  
HETATM  128  H   UNK A   5       5.207   7.000  -3.280  1.00  0.00           H  
HETATM  129  H   UNK A   7       5.814   4.079  -3.234  1.00  0.00           H  
HETATM  130  H   UNK A   7       9.435   3.288  -0.524  1.00  0.00           H  
CONECT    1    2   86   87                                            
CONECT    2    1    3    5   88                                       
CONECT    3    2    4    4   24                                       
CONECT    4    3    3                                                 
CONECT    5    2    6    6   11                                       
CONECT    6    5    5    7   89                                       
CONECT    7    6    8    8   31                                       
CONECT    8    7    7    9   10                                       
CONECT    9    8   90                                                 
CONECT   10    8   11   11   91                                       
CONECT   11    5   10   10   92                                       
CONECT   12   13   43                                                 
CONECT   13   12   14   17   17                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14   19   94                                       
CONECT   16   14                                                      
CONECT   17   13   13   18   93                                       
CONECT   18   17   19   19   95                                       
CONECT   19   15   18   18   20                                       
CONECT   20   19   21   96   97                                       
CONECT   21   20   22   24   98                                       
CONECT   22   21   23   23   25                                       
CONECT   23   22   22                                                 
CONECT   24   21   99    3                                            
CONECT   25   34  100   22                                            
CONECT   26   27  102                                                 
CONECT   27   26   28   29   29                                       
CONECT   28   27   33   33  103                                       
CONECT   29   27   27   30  104                                       
CONECT   30   29   31   32   32                                       
CONECT   31   30    7                                                 
CONECT   32   30   30   33  105                                       
CONECT   33   28   28   32   34                                       
CONECT   34   25   33   35  101                                       
CONECT   35   34   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   38  106   35                                            
CONECT   38   37   39   41  107                                       
CONECT   39   38   40   40   48                                       
CONECT   40   39   39                                                 
CONECT   41   38   42   42   47                                       
CONECT   42   41   41   43  108                                       
CONECT   43   42   44   44   12                                       
CONECT   44   43   43   45   46                                       
CONECT   45   44  109                                                 
CONECT   46   44   47   47   61                                       
CONECT   47   41   46   46  110                                       
CONECT   48   49  111   39                                            
CONECT   49   48   50   52  112                                       
CONECT   50   49   51   51   59                                       
CONECT   51   50   50                                                 
CONECT   52   49   53   53   58                                       
CONECT   53   52   52   54  113                                       
CONECT   54   53   55   55  114                                       
CONECT   55   54   54   56   57                                       
CONECT   56   55  115                                                 
CONECT   57   55   58   58   76                                       
CONECT   58   52   57   57  116                                       
CONECT   59   60  117   50                                            
CONECT   60   59   71   68  118                                       
CONECT   61   64   46                                                 
CONECT   62   64   66   66  119                                       
CONECT   63   64   64   67   69                                       
CONECT   64   61   62   63   63                                       
CONECT   65   66   67   67   68                                       
CONECT   66   62   62   65  120                                       
CONECT   67   65   65   63  121                                       
CONECT   68   65   60   72  122                                       
CONECT   69   63                                                      
CONECT   70   71   71                                                 
CONECT   71   70   70   60   73                                       
CONECT   72   68  123                                                 
CONECT   73   82  124   71                                            
CONECT   74   75  126                                                 
CONECT   75   74   76   77   77                                       
CONECT   76   75   81   81   57                                       
CONECT   77   75   75   78  127                                       
CONECT   78   77   79   80   80                                       
CONECT   79   78  128                                                 
CONECT   80   78   78   81  129                                       
CONECT   81   76   76   80   82                                       
CONECT   82   73   81   83  125                                       
CONECT   83   82   84   84   85                                       
CONECT   84   83   83                                                 
CONECT   85   83  130                                                 
CONECT   86    1                                                      
CONECT   87    1                                                      
CONECT   88    2                                                      
CONECT   89    6                                                      
CONECT   90    9                                                      
CONECT   91   10                                                      
CONECT   92   11                                                      
CONECT   93   17                                                      
CONECT   94   15                                                      
CONECT   95   18                                                      
CONECT   96   20                                                      
CONECT   97   20                                                      
CONECT   98   21                                                      
CONECT   99   24                                                      
CONECT  100   25                                                      
CONECT  101   34                                                      
CONECT  102   26                                                      
CONECT  103   28                                                      
CONECT  104   29                                                      
CONECT  105   32                                                      
CONECT  106   37                                                      
CONECT  107   38                                                      
CONECT  108   42                                                      
CONECT  109   45                                                      
CONECT  110   47                                                      
CONECT  111   48                                                      
CONECT  112   49                                                      
CONECT  113   53                                                      
CONECT  114   54                                                      
CONECT  115   56                                                      
CONECT  116   58                                                      
CONECT  117   59                                                      
CONECT  118   60                                                      
CONECT  119   62                                                      
CONECT  120   66                                                      
CONECT  121   67                                                      
CONECT  122   68                                                      
CONECT  123   72                                                      
CONECT  124   73                                                      
CONECT  125   82                                                      
CONECT  126   74                                                      
CONECT  127   77                                                      
CONECT  128   79                                                      
CONECT  129   80                                                      
CONECT  130   85                                                      
MASTER        0    0    0    0    0    0    0    0  130    0  130    0
END
