COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.737  -1.869 -10.197  1.00  0.00           C  
HETATM    2  C   UNL     1       0.088  -1.012  -9.236  1.00  0.00           C  
HETATM    3  C   UNL     1       0.052  -1.625  -7.860  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.572  -2.646  -7.667  1.00  0.00           O  
HETATM    5  N   UNL     1       0.715  -1.037  -6.844  1.00  0.00           N  
HETATM    6  C   UNL     1       0.680  -1.632  -5.506  1.00  0.00           C  
HETATM    7  C   UNL     1       0.805  -0.546  -4.469  1.00  0.00           C  
HETATM    8  O   UNL     1       1.377   0.488  -4.741  1.00  0.00           O  
HETATM    9  C   UNL     1       1.841  -2.617  -5.355  1.00  0.00           C  
HETATM   10  C   UNL     1       3.166  -1.878  -5.555  1.00  0.00           C  
HETATM   11  C   UNL     1       1.808  -3.235  -3.956  1.00  0.00           C  
HETATM   12  N   UNL     1       0.282  -0.723  -3.240  1.00  0.00           N  
HETATM   13  C   UNL     1       0.305   0.372  -2.268  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.968   1.207  -2.411  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.044   1.773  -3.805  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.677   1.060  -4.806  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.487   3.009  -4.080  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.747   1.576  -6.086  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.550   3.527  -5.359  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.184   2.813  -6.365  1.00  0.00           C  
HETATM   21  C   UNL     1       0.382  -0.202  -0.852  1.00  0.00           C  
HETATM   22  C   UNL     1       0.407   0.942   0.161  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.757  -1.028  -0.611  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.252   3.323  -7.623  1.00  0.00           O  
HETATM   25  N   UNL     1       0.481   0.390   1.521  1.00  0.00           N  
HETATM   26  C   UNL     1       0.501   1.535   2.441  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.915   2.088   2.597  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.699   1.204   3.532  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.796   1.529   4.872  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.514   0.720   5.731  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.320   0.067   3.048  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.041  -0.744   3.902  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.140  -0.419   5.247  1.00  0.00           C  
HETATM   34  O   UNL     1      -3.847  -1.217   6.090  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.904  -1.819   6.978  1.00  0.00           C  
HETATM   36  C   UNL     1       1.020   1.091   3.784  1.00  0.00           C  
HETATM   37  O   UNL     1       1.011   1.849   4.731  1.00  0.00           O  
HETATM   38  N   UNL     1       1.499  -0.179   3.917  1.00  0.00           N  
HETATM   39  C   UNL     1       2.010  -0.541   5.255  1.00  0.00           C  
HETATM   40  C   UNL     1       0.865  -1.029   6.104  1.00  0.00           C  
HETATM   41  O   UNL     1       0.260  -0.260   6.821  1.00  0.00           O  
HETATM   42  C   UNL     1       2.646   0.686   5.910  1.00  0.00           C  
HETATM   43  C   UNL     1       3.673   1.298   4.955  1.00  0.00           C  
HETATM   44  C   UNL     1       3.341   0.269   7.208  1.00  0.00           C  
HETATM   45  C   UNL     1       4.309   2.526   5.610  1.00  0.00           C  
HETATM   46  N   UNL     1       0.518  -2.347   6.053  1.00  0.00           N  
HETATM   47  C   UNL     1      -0.589  -2.758   6.942  1.00  0.00           C  
HETATM   48  C   UNL     1      -1.906  -2.654   6.171  1.00  0.00           C  
HETATM   49  H   UNL     1      -1.769  -1.917  -9.847  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.711  -1.427 -11.193  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.321  -2.876 -10.237  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.328  -0.006  -9.197  1.00  0.00           H  
HETATM   53  H   UNL     1       1.119  -0.965  -9.587  1.00  0.00           H  
HETATM   54  H   UNL     1       1.214  -0.220  -6.998  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.263  -2.160  -5.367  1.00  0.00           H  
HETATM   56  H   UNL     1       1.749  -3.405  -6.102  1.00  0.00           H  
HETATM   57  H   UNL     1       3.993  -2.579  -5.448  1.00  0.00           H  
HETATM   58  H   UNL     1       3.189  -1.438  -6.552  1.00  0.00           H  
HETATM   59  H   UNL     1       3.258  -1.090  -4.807  1.00  0.00           H  
HETATM   60  H   UNL     1       1.875  -2.445  -3.208  1.00  0.00           H  
HETATM   61  H   UNL     1       0.875  -3.783  -3.823  1.00  0.00           H  
HETATM   62  H   UNL     1       2.650  -3.917  -3.840  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.110  -1.577  -2.998  1.00  0.00           H  
HETATM   64  H   UNL     1       1.175   1.002  -2.453  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.838   0.577  -2.226  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.951   2.023  -1.688  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.115   0.097  -4.588  1.00  0.00           H  
HETATM   68  H   UNL     1       0.005   3.565  -3.296  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.241   1.018  -6.867  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.110   4.490  -5.574  1.00  0.00           H  
HETATM   71  H   UNL     1       1.290  -0.797  -0.751  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.500   1.537   0.060  1.00  0.00           H  
HETATM   73  H   UNL     1       1.277   1.572  -0.022  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.537  -0.464  -0.710  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.068   3.841  -7.670  1.00  0.00           H  
HETATM   76  H   UNL     1       1.380  -0.061   1.601  1.00  0.00           H  
HETATM   77  H   UNL     1       1.152   2.312   2.039  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.869   3.098   3.006  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.405   2.113   1.624  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.308   2.417   5.248  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.589   0.975   6.778  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.243  -0.185   2.001  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.526  -1.631   3.523  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.369  -1.041   7.523  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.428  -2.463   7.684  1.00  0.00           H  
HETATM   86  H   UNL     1       1.504  -0.806   3.177  1.00  0.00           H  
HETATM   87  H   UNL     1       2.755  -1.331   5.159  1.00  0.00           H  
HETATM   88  H   UNL     1       1.873   1.421   6.132  1.00  0.00           H  
HETATM   89  H   UNL     1       3.178   1.595   4.031  1.00  0.00           H  
HETATM   90  H   UNL     1       4.447   0.563   4.733  1.00  0.00           H  
HETATM   91  H   UNL     1       4.108  -0.473   6.987  1.00  0.00           H  
HETATM   92  H   UNL     1       3.803   1.142   7.669  1.00  0.00           H  
HETATM   93  H   UNL     1       2.608  -0.157   7.892  1.00  0.00           H  
HETATM   94  H   UNL     1       5.041   2.962   4.930  1.00  0.00           H  
HETATM   95  H   UNL     1       3.536   3.261   5.832  1.00  0.00           H  
HETATM   96  H   UNL     1       4.805   2.229   6.534  1.00  0.00           H  
HETATM   97  H   UNL     1       0.971  -2.977   5.471  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.622  -2.103   7.812  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.436  -3.788   7.265  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.313  -3.652   6.010  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.726  -2.175   5.208  1.00  0.00           H  
CONECT    1    2   49   50   51                                       
CONECT    2    1    3   52   53                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   54                                            
CONECT    6    5    7    9   55                                       
CONECT    7    6    8    8   12                                       
CONECT    8    7    7                                                 
CONECT    9    6   10   11   56                                       
CONECT   10    9   57   58   59                                       
CONECT   11    9   60   61   62                                       
CONECT   12    7   13   63                                            
CONECT   13   12   14   21   64                                       
CONECT   14   13   15   65   66                                       
CONECT   15   14   16   17   17                                       
CONECT   16   15   18   18   67                                       
CONECT   17   15   15   19   68                                       
CONECT   18   16   16   20   69                                       
CONECT   19   17   20   20   70                                       
CONECT   20   18   19   19   24                                       
CONECT   21   13   22   23   71                                       
CONECT   22   21   25   72   73                                       
CONECT   23   21   74                                                 
CONECT   24   20   75                                                 
CONECT   25   22   26   76                                            
CONECT   26   25   27   36   77                                       
CONECT   27   26   28   78   79                                       
CONECT   28   27   29   31   31                                       
CONECT   29   28   30   30   80                                       
CONECT   30   29   29   33   81                                       
CONECT   31   28   28   32   82                                       
CONECT   32   31   33   33   83                                       
CONECT   33   30   32   32   34                                       
CONECT   34   33   35                                                 
CONECT   35   34   48   84   85                                       
CONECT   36   26   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   39   86                                            
CONECT   39   38   40   42   87                                       
CONECT   40   39   41   41   46                                       
CONECT   41   40   40                                                 
CONECT   42   39   43   44   88                                       
CONECT   43   42   45   89   90                                       
CONECT   44   42   91   92   93                                       
CONECT   45   43   94   95   96                                       
CONECT   46   40   47   97                                            
CONECT   47   46   48   98   99                                       
CONECT   48   35   47  100  101                                       
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    2                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   14                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   35                                                      
CONECT   85   35                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   42                                                      
CONECT   89   43                                                      
CONECT   90   43                                                      
CONECT   91   44                                                      
CONECT   92   44                                                      
CONECT   93   44                                                      
CONECT   94   45                                                      
CONECT   95   45                                                      
CONECT   96   45                                                      
CONECT   97   46                                                      
CONECT   98   47                                                      
CONECT   99   47                                                      
CONECT  100   48                                                      
CONECT  101   48                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
