COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.091  -0.930   1.085  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.160   6.015   1.978  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.679  -0.736   2.856  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.027   6.930   2.447  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.063   5.139  -0.136  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.522  -4.191  -5.774  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.015  -2.925  -5.969  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.084  -2.391  -5.088  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.655  -3.114  -4.010  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.155  -4.399  -3.793  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.103  -4.942  -4.681  1.00  0.00           C  
HETATM   12  N   UNL     1      -5.411  -6.204  -4.223  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.697  -6.474  -3.087  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.924  -5.423  -2.772  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.988  -5.319  -1.595  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.703  -4.624  -0.435  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.812  -4.630   0.780  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.467  -3.582   1.285  1.00  0.00           O  
HETATM   19  N   UNL     1      -2.398  -5.800   1.307  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.531  -5.805   2.488  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.704  -7.126   3.241  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.073  -5.654   2.052  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.010  -3.241  -0.809  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.032  -2.594  -0.215  1.00  0.00           C  
HETATM   25  O   UNL     1      -5.698  -3.156   0.628  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.348  -1.171  -0.600  1.00  0.00           C  
HETATM   27  N   UNL     1      -6.723  -0.854  -0.209  1.00  0.00           N  
HETATM   28  O   UNL     1      -6.280  -1.258   1.929  1.00  0.00           O  
HETATM   29  O   UNL     1      -8.356  -0.638   1.444  1.00  0.00           O  
HETATM   30  C   UNL     1     -10.127  -0.375   3.066  1.00  0.00           C  
HETATM   31  C   UNL     1     -11.099  -1.357   3.012  1.00  0.00           C  
HETATM   32  C   UNL     1     -12.427  -1.026   3.204  1.00  0.00           C  
HETATM   33  C   UNL     1     -12.784   0.287   3.451  1.00  0.00           C  
HETATM   34  C   UNL     1     -11.812   1.268   3.504  1.00  0.00           C  
HETATM   35  C   UNL     1     -10.483   0.937   3.318  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.383  -0.223   0.115  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.621   1.208  -0.370  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.656   2.156   0.345  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.894   3.587  -0.139  1.00  0.00           C  
HETATM   40  N   UNL     1      -2.970   4.495   0.545  1.00  0.00           N  
HETATM   41  N   UNL     1      -1.133   5.913   0.517  1.00  0.00           N  
HETATM   42  C   UNL     1      -0.055   7.034   3.950  1.00  0.00           C  
HETATM   43  O   UNL     1      -0.895   6.438   4.582  1.00  0.00           O  
HETATM   44  O   UNL     1       0.853   7.790   4.587  1.00  0.00           O  
HETATM   45  S   UNL     1      -2.031   5.017  -1.894  1.00  0.00           S  
HETATM   46  C   UNL     1      -0.651   6.130  -2.261  1.00  0.00           C  
HETATM   47  O   UNL     1       0.586   5.504  -1.902  1.00  0.00           O  
HETATM   48  C   UNL     1      -0.604   6.424  -3.775  1.00  0.00           C  
HETATM   49  O   UNL     1      -1.264   5.394  -4.514  1.00  0.00           O  
HETATM   50  C   UNL     1       0.922   6.420  -4.064  1.00  0.00           C  
HETATM   51  O   UNL     1       1.189   6.037  -5.415  1.00  0.00           O  
HETATM   52  C   UNL     1       1.407   5.337  -3.069  1.00  0.00           C  
HETATM   53  C   UNL     1       2.880   5.559  -2.718  1.00  0.00           C  
HETATM   54  O   UNL     1       3.322   4.522  -1.840  1.00  0.00           O  
HETATM   55  P   UNL     1       4.824   4.440  -1.267  1.00  0.00           P  
HETATM   56  O   UNL     1       5.164   5.712  -0.591  1.00  0.00           O  
HETATM   57  O   UNL     1       5.849   4.186  -2.482  1.00  0.00           O  
HETATM   58  O   UNL     1       4.931   3.227  -0.213  1.00  0.00           O  
HETATM   59  P   UNL     1       5.958   2.862   0.972  1.00  0.00           P  
HETATM   60  O   UNL     1       7.339   3.176   0.542  1.00  0.00           O  
HETATM   61  O   UNL     1       5.594   3.725   2.282  1.00  0.00           O  
HETATM   62  O   UNL     1       5.846   1.293   1.315  1.00  0.00           O  
HETATM   63  C   UNL     1       6.703   0.638   2.252  1.00  0.00           C  
HETATM   64  C   UNL     1       6.327  -0.842   2.339  1.00  0.00           C  
HETATM   65  O   UNL     1       6.683  -1.523   1.116  1.00  0.00           O  
HETATM   66  C   UNL     1       7.157  -1.544   3.437  1.00  0.00           C  
HETATM   67  O   UNL     1       6.399  -1.654   4.643  1.00  0.00           O  
HETATM   68  C   UNL     1       7.448  -2.944   2.851  1.00  0.00           C  
HETATM   69  O   UNL     1       6.879  -3.961   3.677  1.00  0.00           O  
HETATM   70  C   UNL     1       6.760  -2.922   1.468  1.00  0.00           C  
HETATM   71  N   UNL     1       7.566  -3.651   0.486  1.00  0.00           N  
HETATM   72  C   UNL     1       8.519  -3.119  -0.330  1.00  0.00           C  
HETATM   73  N   UNL     1       9.037  -4.052  -1.076  1.00  0.00           N  
HETATM   74  C   UNL     1       8.451  -5.238  -0.786  1.00  0.00           C  
HETATM   75  C   UNL     1       7.504  -4.997   0.223  1.00  0.00           C  
HETATM   76  N   UNL     1       6.784  -6.012   0.689  1.00  0.00           N  
HETATM   77  C   UNL     1       6.953  -7.228   0.215  1.00  0.00           C  
HETATM   78  N   UNL     1       7.831  -7.504  -0.732  1.00  0.00           N  
HETATM   79  C   UNL     1       8.598  -6.554  -1.257  1.00  0.00           C  
HETATM   80  N   UNL     1       9.514  -6.853  -2.250  1.00  0.00           N  
HETATM   81  H   UNL     1      -1.030   5.024   2.413  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.117   6.429   2.296  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.505  -1.756   3.199  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.048  -0.050   3.422  1.00  0.00           H  
HETATM   85  H   UNL     1       0.930   6.516   2.129  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.157   7.921   2.011  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.246  -4.597  -6.465  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.344  -2.342  -6.816  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.697  -1.397  -5.255  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.928  -2.694  -3.331  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.040  -6.811  -4.643  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.751  -7.395  -2.526  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.681  -6.319  -1.286  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.109  -4.741  -1.879  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.629  -5.153  -0.209  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.674  -6.638   0.904  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.803  -4.976   3.142  1.00  0.00           H  
HETATM   98  H   UNL     1      -1.433  -7.955   2.588  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.060  -7.130   4.120  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.743  -7.234   3.552  1.00  0.00           H  
HETATM  101  H   UNL     1       0.050  -4.713   1.515  1.00  0.00           H  
HETATM  102  H   UNL     1       0.572  -5.658   2.931  1.00  0.00           H  
HETATM  103  H   UNL     1       0.198  -6.483   1.398  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.477  -2.792  -1.483  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.240  -1.054  -1.678  1.00  0.00           H  
HETATM  106  H   UNL     1      -7.370  -0.588  -0.882  1.00  0.00           H  
HETATM  107  H   UNL     1     -10.820  -2.382   2.819  1.00  0.00           H  
HETATM  108  H   UNL     1     -13.186  -1.793   3.162  1.00  0.00           H  
HETATM  109  H   UNL     1     -13.822   0.545   3.601  1.00  0.00           H  
HETATM  110  H   UNL     1     -12.091   2.294   3.697  1.00  0.00           H  
HETATM  111  H   UNL     1      -9.724   1.703   3.364  1.00  0.00           H  
HETATM  112  H   UNL     1      -4.552  -0.276   1.191  1.00  0.00           H  
HETATM  113  H   UNL     1      -3.356  -0.516  -0.106  1.00  0.00           H  
HETATM  114  H   UNL     1      -4.451   1.260  -1.445  1.00  0.00           H  
HETATM  115  H   UNL     1      -5.648   1.500  -0.149  1.00  0.00           H  
HETATM  116  H   UNL     1      -3.825   2.103   1.421  1.00  0.00           H  
HETATM  117  H   UNL     1      -2.629   1.863   0.125  1.00  0.00           H  
HETATM  118  H   UNL     1      -3.724   3.639  -1.215  1.00  0.00           H  
HETATM  119  H   UNL     1      -4.921   3.879   0.081  1.00  0.00           H  
HETATM  120  H   UNL     1       0.795   7.826   5.552  1.00  0.00           H  
HETATM  121  H   UNL     1      -0.770   7.061  -1.706  1.00  0.00           H  
HETATM  122  H   UNL     1      -1.038   7.399  -3.995  1.00  0.00           H  
HETATM  123  H   UNL     1      -2.219   5.355  -4.368  1.00  0.00           H  
HETATM  124  H   UNL     1       1.367   7.389  -3.838  1.00  0.00           H  
HETATM  125  H   UNL     1       0.809   6.631  -6.075  1.00  0.00           H  
HETATM  126  H   UNL     1       1.264   4.343  -3.492  1.00  0.00           H  
HETATM  127  H   UNL     1       3.477   5.542  -3.630  1.00  0.00           H  
HETATM  128  H   UNL     1       2.995   6.525  -2.227  1.00  0.00           H  
HETATM  129  H   UNL     1       5.686   3.368  -2.971  1.00  0.00           H  
HETATM  130  H   UNL     1       4.701   3.570   2.620  1.00  0.00           H  
HETATM  131  H   UNL     1       7.738   0.732   1.925  1.00  0.00           H  
HETATM  132  H   UNL     1       6.589   1.100   3.233  1.00  0.00           H  
HETATM  133  H   UNL     1       5.262  -0.952   2.540  1.00  0.00           H  
HETATM  134  H   UNL     1       8.086  -1.003   3.619  1.00  0.00           H  
HETATM  135  H   UNL     1       6.872  -2.088   5.367  1.00  0.00           H  
HETATM  136  H   UNL     1       8.522  -3.097   2.743  1.00  0.00           H  
HETATM  137  H   UNL     1       7.232  -3.980   4.577  1.00  0.00           H  
HETATM  138  H   UNL     1       5.761  -3.352   1.534  1.00  0.00           H  
HETATM  139  H   UNL     1       8.803  -2.077  -0.355  1.00  0.00           H  
HETATM  140  H   UNL     1       6.352  -8.031   0.617  1.00  0.00           H  
HETATM  141  H   UNL     1       9.602  -7.764  -2.571  1.00  0.00           H  
HETATM  142  H   UNL     1      10.068  -6.151  -2.626  1.00  0.00           H  
HETATM  143  H   UNL     1      -0.459   6.392   0.010  1.00  0.00           H  
CONECT    1   27   29   28   28                                       
CONECT    2    4   41   81   82                                       
CONECT    3   29   30   83   84                                       
CONECT    4   42    2   85   86                                       
CONECT    5   41   45   40   40                                       
CONECT    6   11   11    7   87                                       
CONECT    7    8    8    6   88                                       
CONECT    8    9    7    7   89                                       
CONECT    9   10   10    8   90                                       
CONECT   10   14    9    9   11                                       
CONECT   11   10   12    6    6                                       
CONECT   12   13   11   91                                            
CONECT   13   14   14   12   92                                       
CONECT   14   15   13   13   10                                       
CONECT   15   16   14   93   94                                       
CONECT   16   23   17   15   95                                       
CONECT   17   19   18   18   16                                       
CONECT   18   17   17                                                 
CONECT   19   20   17   96                                            
CONECT   20   22   19   21   97                                       
CONECT   21   20   98   99  100                                       
CONECT   22   20  101  102  103                                       
CONECT   23   24   16  104                                            
CONECT   24   26   25   25   23                                       
CONECT   25   24   24                                                 
CONECT   26   36   24   27  105                                       
CONECT   27   26    1  106                                            
CONECT   28    1    1                                                 
CONECT   29    1    3                                                 
CONECT   30    3   35   35   31                                       
CONECT   31   30   32   32  107                                       
CONECT   32   31   31   33  108                                       
CONECT   33   34   34   32  109                                       
CONECT   34   35   33   33  110                                       
CONECT   35   30   30   34  111                                       
CONECT   36   37   26  112  113                                       
CONECT   37   38   36  114  115                                       
CONECT   38   39   37  116  117                                       
CONECT   39   40   38  118  119                                       
CONECT   40    5    5   39                                            
CONECT   41    2    5  143                                            
CONECT   42   43   43   44    4                                       
CONECT   43   42   42                                                 
CONECT   44   42  120                                                 
CONECT   45   46    5                                                 
CONECT   46   48   47   45  121                                       
CONECT   47   46   52                                                 
CONECT   48   49   50   46  122                                       
CONECT   49   48  123                                                 
CONECT   50   48   52   51  124                                       
CONECT   51   50  125                                                 
CONECT   52   53   50   47  126                                       
CONECT   53   54   52  127  128                                       
CONECT   54   55   53                                                 
CONECT   55   56   56   58   57                                       
CONECT   55   54                                                      
CONECT   56   55   55                                                 
CONECT   57   55  129                                                 
CONECT   58   59   55                                                 
CONECT   59   60   60   58   62                                       
CONECT   59   61                                                      
CONECT   60   59   59                                                 
CONECT   61   59  130                                                 
CONECT   62   63   59                                                 
CONECT   63   64   62  131  132                                       
CONECT   64   65   63   66  133                                       
CONECT   65   70   64                                                 
CONECT   66   68   64   67  134                                       
CONECT   67   66  135                                                 
CONECT   68   70   69   66  136                                       
CONECT   69   68  137                                                 
CONECT   70   71   65   68  138                                       
CONECT   71   72   75   70                                            
CONECT   72   73   73   71  139                                       
CONECT   73   74   72   72                                            
CONECT   74   79   73   75   75                                       
CONECT   75   74   74   76   71                                       
CONECT   76   77   77   75                                            
CONECT   77   78   76   76  140                                       
CONECT   78   79   79   77                                            
CONECT   79   80   78   78   74                                       
CONECT   80   79  141  142                                            
CONECT   81    2                                                      
CONECT   82    2                                                      
CONECT   83    3                                                      
CONECT   84    3                                                      
CONECT   85    4                                                      
CONECT   86    4                                                      
CONECT   87    6                                                      
CONECT   88    7                                                      
CONECT   89    8                                                      
CONECT   90    9                                                      
CONECT   91   12                                                      
CONECT   92   13                                                      
CONECT   93   15                                                      
CONECT   94   15                                                      
CONECT   95   16                                                      
CONECT   96   19                                                      
CONECT   97   20                                                      
CONECT   98   21                                                      
CONECT   99   21                                                      
CONECT  100   21                                                      
CONECT  101   22                                                      
CONECT  102   22                                                      
CONECT  103   22                                                      
CONECT  104   23                                                      
CONECT  105   26                                                      
CONECT  106   27                                                      
CONECT  107   31                                                      
CONECT  108   32                                                      
CONECT  109   33                                                      
CONECT  110   34                                                      
CONECT  111   35                                                      
CONECT  112   36                                                      
CONECT  113   36                                                      
CONECT  114   37                                                      
CONECT  115   37                                                      
CONECT  116   38                                                      
CONECT  117   38                                                      
CONECT  118   39                                                      
CONECT  119   39                                                      
CONECT  120   44                                                      
CONECT  121   46                                                      
CONECT  122   48                                                      
CONECT  123   49                                                      
CONECT  124   50                                                      
CONECT  125   51                                                      
CONECT  126   52                                                      
CONECT  127   53                                                      
CONECT  128   53                                                      
CONECT  129   57                                                      
CONECT  130   61                                                      
CONECT  131   63                                                      
CONECT  132   63                                                      
CONECT  133   64                                                      
CONECT  134   66                                                      
CONECT  135   67                                                      
CONECT  136   68                                                      
CONECT  137   69                                                      
CONECT  138   70                                                      
CONECT  139   72                                                      
CONECT  140   77                                                      
CONECT  141   80                                                      
CONECT  142   80                                                      
CONECT  143   41                                                      
MASTER        0    0    0    0    0    0    0    0  143    0  143    0
END
