COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.835   0.025  -0.149  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.507   0.021  -1.317  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.098   0.748   0.956  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.644   0.113   2.255  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.028  -0.400   1.798  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.910  -0.609   0.350  1.00  0.00           N  
HETATM    7  C   UNL     1      -5.843  -1.409  -0.448  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.456  -0.563  -1.544  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.835  -0.837  -2.748  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.763  -1.886  -2.544  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.089  -2.537  -1.183  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.890  -2.884  -0.486  1.00  0.00           O  
HETATM   13  C   UNL     1      -6.236  -0.175  -3.896  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.253   0.758  -3.842  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.874   1.032  -2.637  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.476   0.373  -1.491  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.814  -0.969   2.684  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.591   0.513   0.837  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.085   1.100  -0.482  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.412   2.245   0.918  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.652   2.945   2.015  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.423   3.519   1.747  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.726   4.161   2.753  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.258   4.231   4.027  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.487   3.658   4.295  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.187   3.020   3.288  1.00  0.00           C  
HETATM   27  C   UNL     1       6.667   1.607  -1.568  1.00  0.00           C  
HETATM   28  C   UNL     1       5.184   1.620  -1.611  1.00  0.00           C  
HETATM   29  C   UNL     1       4.492   0.568  -2.208  1.00  0.00           C  
HETATM   30  C   UNL     1       3.112   0.586  -2.244  1.00  0.00           C  
HETATM   31  C   UNL     1       2.417   1.645  -1.690  1.00  0.00           C  
HETATM   32  C   UNL     1       3.099   2.693  -1.097  1.00  0.00           C  
HETATM   33  C   UNL     1       4.478   2.682  -1.049  1.00  0.00           C  
HETATM   34  C   UNL     1       0.910   1.660  -1.734  1.00  0.00           C  
HETATM   35  N   UNL     1       0.380   1.001  -0.533  1.00  0.00           N  
HETATM   36  N   UNL     1       0.785  -0.302  -0.469  1.00  0.00           N  
HETATM   37  C   UNL     1       1.535  -0.724   0.568  1.00  0.00           C  
HETATM   38  C   UNL     1       2.076  -2.131   0.582  1.00  0.00           C  
HETATM   39  N   UNL     1       3.281  -2.181   1.414  1.00  0.00           N  
HETATM   40  C   UNL     1       4.208  -3.136   1.201  1.00  0.00           C  
HETATM   41  O   UNL     1       5.315  -3.183   1.965  1.00  0.00           O  
HETATM   42  C   UNL     1       6.270  -4.239   1.678  1.00  0.00           C  
HETATM   43  O   UNL     1       4.044  -3.955   0.318  1.00  0.00           O  
HETATM   44  C   UNL     1       1.020  -3.077   1.156  1.00  0.00           C  
HETATM   45  C   UNL     1      -0.206  -3.088   0.241  1.00  0.00           C  
HETATM   46  C   UNL     1       1.599  -4.490   1.250  1.00  0.00           C  
HETATM   47  C   UNL     1       0.611  -2.600   2.551  1.00  0.00           C  
HETATM   48  O   UNL     1       1.775   0.028   1.489  1.00  0.00           O  
HETATM   49  C   UNL     1       7.378   2.653  -0.974  1.00  0.00           C  
HETATM   50  C   UNL     1       8.756   2.601  -0.956  1.00  0.00           C  
HETATM   51  N   UNL     1       9.402   1.582  -1.489  1.00  0.00           N  
HETATM   52  C   UNL     1       8.769   0.574  -2.059  1.00  0.00           C  
HETATM   53  C   UNL     1       7.391   0.544  -2.116  1.00  0.00           C  
HETATM   54  H   UNL     1      -3.746   0.860   3.042  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.267  -1.338   2.299  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.794   0.346   2.007  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.623  -1.826   0.189  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.806  -2.630  -3.339  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.778  -1.419  -2.514  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.728  -3.409  -1.314  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.380  -3.589  -0.908  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.751  -0.388  -4.838  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.563   1.273  -4.739  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.669   1.761  -2.593  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.961   0.587  -0.550  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.116  -1.399   3.495  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.081   0.998   1.669  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.387  -0.558   0.860  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.516   0.545  -1.316  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.381   2.147  -0.551  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.116   2.655  -0.047  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.482   2.395   1.064  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.007   3.464   0.752  1.00  0.00           H  
HETATM   74  H   UNL     1       0.235   4.608   2.544  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.713   4.732   4.813  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.903   3.712   5.290  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.149   2.576   3.496  1.00  0.00           H  
HETATM   78  H   UNL     1       5.034  -0.259  -2.641  1.00  0.00           H  
HETATM   79  H   UNL     1       2.575  -0.229  -2.707  1.00  0.00           H  
HETATM   80  H   UNL     1       2.550   3.517  -0.666  1.00  0.00           H  
HETATM   81  H   UNL     1       5.009   3.498  -0.582  1.00  0.00           H  
HETATM   82  H   UNL     1       0.558   2.690  -1.770  1.00  0.00           H  
HETATM   83  H   UNL     1       0.568   1.127  -2.622  1.00  0.00           H  
HETATM   84  H   UNL     1       0.532  -0.923  -1.170  1.00  0.00           H  
HETATM   85  H   UNL     1       2.323  -2.435  -0.434  1.00  0.00           H  
HETATM   86  H   UNL     1       3.412  -1.528   2.119  1.00  0.00           H  
HETATM   87  H   UNL     1       7.113  -4.162   2.365  1.00  0.00           H  
HETATM   88  H   UNL     1       5.787  -5.208   1.802  1.00  0.00           H  
HETATM   89  H   UNL     1       6.626  -4.138   0.653  1.00  0.00           H  
HETATM   90  H   UNL     1       0.080  -3.454  -0.745  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.969  -3.742   0.664  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.603  -2.077   0.153  1.00  0.00           H  
HETATM   93  H   UNL     1       2.473  -4.483   1.902  1.00  0.00           H  
HETATM   94  H   UNL     1       0.847  -5.165   1.659  1.00  0.00           H  
HETATM   95  H   UNL     1       1.890  -4.830   0.256  1.00  0.00           H  
HETATM   96  H   UNL     1       0.199  -1.593   2.484  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.141  -3.275   2.960  1.00  0.00           H  
HETATM   98  H   UNL     1       1.485  -2.592   3.203  1.00  0.00           H  
HETATM   99  H   UNL     1       6.855   3.491  -0.536  1.00  0.00           H  
HETATM  100  H   UNL     1       9.314   3.405  -0.499  1.00  0.00           H  
HETATM  101  H   UNL     1       9.338  -0.240  -2.484  1.00  0.00           H  
HETATM  102  H   UNL     1       6.880  -0.285  -2.581  1.00  0.00           H  
CONECT    1    2    2    3    6                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   18   20                                       
CONECT    4    3    5   17   54                                       
CONECT    5    4    6   55   56                                       
CONECT    6    1    5    7                                            
CONECT    7    6    8   11   57                                       
CONECT    8    7    9    9   16                                       
CONECT    9    8    8   10   13                                       
CONECT   10    9   11   58   59                                       
CONECT   11    7   10   12   60                                       
CONECT   12   11   61                                                 
CONECT   13    9   14   14   62                                       
CONECT   14   13   13   15   63                                       
CONECT   15   14   16   16   64                                       
CONECT   16    8   15   15   65                                       
CONECT   17    4   66                                                 
CONECT   18    3   19   67   68                                       
CONECT   19   18   35   69   70                                       
CONECT   20    3   21   71   72                                       
CONECT   21   20   22   22   26                                       
CONECT   22   21   21   23   73                                       
CONECT   23   22   24   24   74                                       
CONECT   24   23   23   25   75                                       
CONECT   25   24   26   26   76                                       
CONECT   26   21   25   25   77                                       
CONECT   27   28   49   49   53                                       
CONECT   28   27   29   29   33                                       
CONECT   29   28   28   30   78                                       
CONECT   30   29   31   31   79                                       
CONECT   31   30   30   32   34                                       
CONECT   32   31   33   33   80                                       
CONECT   33   28   32   32   81                                       
CONECT   34   31   35   82   83                                       
CONECT   35   19   34   36                                            
CONECT   36   35   37   84                                            
CONECT   37   36   38   48   48                                       
CONECT   38   37   39   44   85                                       
CONECT   39   38   40   86                                            
CONECT   40   39   41   43   43                                       
CONECT   41   40   42                                                 
CONECT   42   41   87   88   89                                       
CONECT   43   40   40                                                 
CONECT   44   38   45   46   47                                       
CONECT   45   44   90   91   92                                       
CONECT   46   44   93   94   95                                       
CONECT   47   44   96   97   98                                       
CONECT   48   37   37                                                 
CONECT   49   27   27   50   99                                       
CONECT   50   49   51   51  100                                       
CONECT   51   50   50   52                                            
CONECT   52   51   53   53  101                                       
CONECT   53   27   52   52  102                                       
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    7                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   36                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   42                                                      
CONECT   88   42                                                      
CONECT   89   42                                                      
CONECT   90   45                                                      
CONECT   91   45                                                      
CONECT   92   45                                                      
CONECT   93   46                                                      
CONECT   94   46                                                      
CONECT   95   46                                                      
CONECT   96   47                                                      
CONECT   97   47                                                      
CONECT   98   47                                                      
CONECT   99   49                                                      
CONECT  100   50                                                      
CONECT  101   52                                                      
CONECT  102   53                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
