COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.933   2.884  -0.717  1.00  0.00           O  
HETATM    2  C   UNL     1       3.507  -3.672  -1.584  1.00  0.00           C  
HETATM    3  O   UNL     1       3.976   1.130  -0.198  1.00  0.00           O  
HETATM    4  C   UNL     1       2.259  -3.815  -1.007  1.00  0.00           C  
HETATM    5  C   UNL     1       1.695  -3.200   3.935  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.168  -0.705  -3.094  1.00  0.00           N  
HETATM    7  C   UNL     1       2.115  -4.530   0.312  1.00  0.00           C  
HETATM    8  C   UNL     1       2.062  -3.503   1.445  1.00  0.00           C  
HETATM    9  C   UNL     1       0.333  -4.811   2.746  1.00  0.00           C  
HETATM   10  C   UNL     1       0.761  -3.928   4.933  1.00  0.00           C  
HETATM   11  O   UNL     1       4.416  -3.419   1.388  1.00  0.00           O  
HETATM   12  C   UNL     1       3.390  -2.800   1.550  1.00  0.00           C  
HETATM   13  O   UNL     1       3.435  -1.487   1.822  1.00  0.00           O  
HETATM   14  C   UNL     1       1.756  -4.216   2.764  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.246  -4.602   4.086  1.00  0.00           N  
HETATM   16  C   UNL     1       1.142  -3.302  -1.640  1.00  0.00           C  
HETATM   17  C   UNL     1       1.273  -2.646  -2.850  1.00  0.00           C  
HETATM   18  C   UNL     1       2.521  -2.503  -3.427  1.00  0.00           C  
HETATM   19  C   UNL     1       3.638  -3.016  -2.794  1.00  0.00           C  
HETATM   20  C   UNL     1       0.056  -2.087  -3.540  1.00  0.00           C  
HETATM   21  C   UNL     1       0.920   0.175  -3.540  1.00  0.00           C  
HETATM   22  C   UNL     1       0.852   1.479  -2.788  1.00  0.00           C  
HETATM   23  C   UNL     1       1.414   1.582  -1.529  1.00  0.00           C  
HETATM   24  C   UNL     1       1.350   2.778  -0.839  1.00  0.00           C  
HETATM   25  C   UNL     1       1.963   2.890   0.533  1.00  0.00           C  
HETATM   26  C   UNL     1       3.420   3.338   0.406  1.00  0.00           C  
HETATM   27  C   UNL     1       4.029   3.495   1.801  1.00  0.00           C  
HETATM   28  C   UNL     1       3.315   4.626   2.573  1.00  0.00           C  
HETATM   29  N   UNL     1       4.396   5.290   3.347  1.00  0.00           N  
HETATM   30  C   UNL     1       5.552   5.313   2.414  1.00  0.00           C  
HETATM   31  C   UNL     1       5.500   3.947   1.696  1.00  0.00           C  
HETATM   32  C   UNL     1       4.198   2.305  -0.368  1.00  0.00           C  
HETATM   33  O   UNL     1       5.137   2.691  -1.246  1.00  0.00           O  
HETATM   34  C   UNL     1       0.725   3.872  -1.409  1.00  0.00           C  
HETATM   35  C   UNL     1       0.164   3.769  -2.668  1.00  0.00           C  
HETATM   36  C   UNL     1       0.231   2.574  -3.359  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.470  -0.207  -3.558  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.566  -0.803  -2.712  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.880  -0.238  -1.490  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.885  -0.784  -0.713  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.576  -1.895  -1.159  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.261  -2.461  -2.381  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.261  -1.911  -3.160  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.227  -0.168   0.619  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.423   0.771   0.454  1.00  0.00           C  
HETATM   46  C   UNL     1      -5.036   1.927  -0.432  1.00  0.00           C  
HETATM   47  O   UNL     1      -3.918   1.993  -0.885  1.00  0.00           O  
HETATM   48  C   UNL     1      -5.849   1.300   1.825  1.00  0.00           C  
HETATM   49  C   UNL     1      -6.287   0.140   2.745  1.00  0.00           C  
HETATM   50  N   UNL     1      -7.457   0.608   3.511  1.00  0.00           N  
HETATM   51  C   UNL     1      -7.745   2.006   3.124  1.00  0.00           C  
HETATM   52  C   UNL     1      -7.136   2.157   1.707  1.00  0.00           C  
HETATM   53  H   UNL     1       4.380  -4.069  -1.087  1.00  0.00           H  
HETATM   54  H   UNL     1       1.258  -2.255   3.610  1.00  0.00           H  
HETATM   55  H   UNL     1       2.683  -3.042   4.367  1.00  0.00           H  
HETATM   56  H   UNL     1       1.197  -5.117   0.309  1.00  0.00           H  
HETATM   57  H   UNL     1       2.969  -5.191   0.461  1.00  0.00           H  
HETATM   58  H   UNL     1       1.280  -2.773   1.237  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.273  -4.301   1.997  1.00  0.00           H  
HETATM   60  H   UNL     1       0.379  -5.877   2.522  1.00  0.00           H  
HETATM   61  H   UNL     1       1.323  -4.662   5.511  1.00  0.00           H  
HETATM   62  H   UNL     1       0.280  -3.210   5.596  1.00  0.00           H  
HETATM   63  H   UNL     1       2.498  -4.989   2.964  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.536  -5.477   4.495  1.00  0.00           H  
HETATM   65  H   UNL     1       0.167  -3.414  -1.190  1.00  0.00           H  
HETATM   66  H   UNL     1       2.624  -1.991  -4.372  1.00  0.00           H  
HETATM   67  H   UNL     1       4.614  -2.900  -3.242  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.814  -2.694  -3.291  1.00  0.00           H  
HETATM   69  H   UNL     1       0.211  -2.100  -4.619  1.00  0.00           H  
HETATM   70  H   UNL     1       1.879  -0.307  -3.345  1.00  0.00           H  
HETATM   71  H   UNL     1       0.820   0.365  -4.608  1.00  0.00           H  
HETATM   72  H   UNL     1       1.902   0.727  -1.084  1.00  0.00           H  
HETATM   73  H   UNL     1       1.407   3.621   1.120  1.00  0.00           H  
HETATM   74  H   UNL     1       1.923   1.920   1.029  1.00  0.00           H  
HETATM   75  H   UNL     1       3.462   4.293  -0.118  1.00  0.00           H  
HETATM   76  H   UNL     1       3.959   2.556   2.352  1.00  0.00           H  
HETATM   77  H   UNL     1       2.857   5.330   1.879  1.00  0.00           H  
HETATM   78  H   UNL     1       2.564   4.212   3.245  1.00  0.00           H  
HETATM   79  H   UNL     1       4.127   6.225   3.613  1.00  0.00           H  
HETATM   80  H   UNL     1       5.443   6.125   1.695  1.00  0.00           H  
HETATM   81  H   UNL     1       6.485   5.416   2.967  1.00  0.00           H  
HETATM   82  H   UNL     1       6.152   3.231   2.197  1.00  0.00           H  
HETATM   83  H   UNL     1       5.788   4.057   0.651  1.00  0.00           H  
HETATM   84  H   UNL     1       0.676   4.806  -0.870  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.325   4.624  -3.112  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.207   2.494  -4.343  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.495   0.879  -3.473  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.619  -0.493  -4.599  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.339   0.630  -1.141  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.361  -2.322  -0.552  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.801  -3.329  -2.729  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.019  -2.349  -4.117  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.478  -0.956   1.329  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.371   0.395   0.989  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.252   0.228   0.001  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.043   1.872   2.284  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.560  -0.727   2.144  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.477  -0.118   3.427  1.00  0.00           H  
HETATM   99  H   UNL     1      -8.257   0.016   3.346  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.821   2.178   3.095  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.269   2.698   3.819  1.00  0.00           H  
HETATM  102  H   UNL     1      -6.894   3.199   1.496  1.00  0.00           H  
HETATM  103  H   UNL     1      -7.807   1.753   0.949  1.00  0.00           H  
HETATM  104  H   UNL     1       4.311  -1.080   1.879  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.638   3.605  -1.290  1.00  0.00           H  
HETATM  106  H   UNL     1       5.609   1.993  -1.719  1.00  0.00           H  
CONECT    1   46  105                                                 
CONECT    2    4   19   19   53                                       
CONECT    3   32   32                                                 
CONECT    4    7   16   16    2                                       
CONECT    5   10   14   54   55                                       
CONECT    6   21   37   20                                            
CONECT    7    8    4   56   57                                       
CONECT    8   12   14    7   58                                       
CONECT    9   15   14   59   60                                       
CONECT   10    5   15   61   62                                       
CONECT   11   12   12                                                 
CONECT   12   11   11   13    8                                       
CONECT   13   12  104                                                 
CONECT   14    5    8    9   63                                       
CONECT   15   10    9   64                                            
CONECT   16    4    4   17   65                                       
CONECT   17   16   20   18   18                                       
CONECT   18   17   17   19   66                                       
CONECT   19    2    2   18   67                                       
CONECT   20    6   17   68   69                                       
CONECT   21   22    6   70   71                                       
CONECT   22   23   23   36   21                                       
CONECT   23   24   22   22   72                                       
CONECT   24   25   34   34   23                                       
CONECT   25   26   24   73   74                                       
CONECT   26   27   25   32   75                                       
CONECT   27   28   31   26   76                                       
CONECT   28   29   27   77   78                                       
CONECT   29   28   30   79                                            
CONECT   30   29   31   80   81                                       
CONECT   31   30   27   82   83                                       
CONECT   32   26    3    3   33                                       
CONECT   33   32  106                                                 
CONECT   34   24   24   35   84                                       
CONECT   35   34   36   36   85                                       
CONECT   36   35   35   22   86                                       
CONECT   37    6   38   87   88                                       
CONECT   38   37   39   39   43                                       
CONECT   39   38   38   40   89                                       
CONECT   40   39   41   41   44                                       
CONECT   41   40   40   42   90                                       
CONECT   42   43   43   41   91                                       
CONECT   43   38   42   42   92                                       
CONECT   44   40   45   93   94                                       
CONECT   45   44   46   48   95                                       
CONECT   46   47   47   45    1                                       
CONECT   47   46   46                                                 
CONECT   48   45   49   52   96                                       
CONECT   49   48   50   97   98                                       
CONECT   50   49   51   99                                            
CONECT   51   52   50  100  101                                       
CONECT   52   48   51  102  103                                       
CONECT   53    2                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   21                                                      
CONECT   72   23                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   30                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   37                                                      
CONECT   89   39                                                      
CONECT   90   41                                                      
CONECT   91   42                                                      
CONECT   92   43                                                      
CONECT   93   44                                                      
CONECT   94   44                                                      
CONECT   95   45                                                      
CONECT   96   48                                                      
CONECT   97   49                                                      
CONECT   98   49                                                      
CONECT   99   50                                                      
CONECT  100   51                                                      
CONECT  101   51                                                      
CONECT  102   52                                                      
CONECT  103   52                                                      
CONECT  104   13                                                      
CONECT  105    1                                                      
CONECT  106   33                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
