COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.627   2.611  -3.572  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.641   1.829  -4.092  1.00  0.00           C  
HETATM    3  C   UNL     1       7.631  -0.800   1.441  1.00  0.00           C  
HETATM    4  C   UNL     1       8.398   0.093   0.726  1.00  0.00           C  
HETATM    5  C   UNL     1       7.804   1.131   0.021  1.00  0.00           C  
HETATM    6  C   UNL     1       6.447   1.285   0.024  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.162   0.784  -3.343  1.00  0.00           C  
HETATM    8  C   UNL     1       5.650   0.390   0.742  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.132   2.352  -2.308  1.00  0.00           C  
HETATM   10  C   UNL     1       6.247  -0.666   1.453  1.00  0.00           C  
HETATM   11  C   UNL     1       4.023  -0.819   1.736  1.00  0.00           C  
HETATM   12  C   UNL     1       4.206   0.255   0.951  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.026   3.207  -1.743  1.00  0.00           C  
HETATM   14  C   UNL     1       3.131   1.145   0.384  1.00  0.00           C  
HETATM   15  C   UNL     1       2.779   0.681  -1.024  1.00  0.00           C  
HETATM   16  C   UNL     1       2.984  -1.770  -1.678  1.00  0.00           C  
HETATM   17  C   UNL     1       1.065  -0.919  -0.361  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.930  -6.343  -1.467  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.612  -4.880  -1.783  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.643  -4.331  -0.734  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.326  -2.868  -1.051  1.00  0.00           C  
HETATM   22  C   UNL     1       0.644  -2.318  -0.002  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.204  -1.737   1.480  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.751  -0.741   3.687  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.952  -1.953   2.778  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.429  -2.184   2.472  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.187  -0.968   3.969  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.664   0.527  -2.074  1.00  0.00           C  
HETATM   29  C   UNL     1       1.821   1.614  -1.706  1.00  0.00           C  
HETATM   30  N   UNL     1       2.238  -0.694  -1.007  1.00  0.00           N  
HETATM   31  N   UNL     1       0.017  -2.323   1.336  1.00  0.00           N  
HETATM   32  C   UNL     1      -4.267  -0.972   2.772  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.214   0.071   1.980  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.045   1.297   2.260  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.630   2.424   1.312  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.203   2.873   1.636  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.223   3.853   2.810  1.00  0.00           C  
HETATM   38  O   UNL     1      -2.617   3.524   0.480  1.00  0.00           O  
HETATM   39  C   UNL     1      -1.278   3.543   0.378  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.621   4.240  -0.785  1.00  0.00           C  
HETATM   41  N   UNL     1       0.930   2.355  -1.024  1.00  0.00           N  
HETATM   42  N   UNL     1       5.231  -1.375   2.056  1.00  0.00           N  
HETATM   43  O   UNL     1       1.863   1.706  -2.922  1.00  0.00           O  
HETATM   44  C   UNL     1      -1.650   1.311  -1.559  1.00  0.00           C  
HETATM   45  O   UNL     1      -4.160   0.014  -3.852  1.00  0.00           O  
HETATM   46  O   UNL     1      -0.599   3.011   1.224  1.00  0.00           O  
HETATM   47  O   UNL     1      -1.719  -1.062   0.614  1.00  0.00           O  
HETATM   48  N   UNL     1      -2.860  -6.871  -2.474  1.00  0.00           N  
HETATM   49  O   UNL     1       0.353   0.013  -0.037  1.00  0.00           O  
HETATM   50  H   UNL     1      -1.218   3.422  -4.157  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.028   2.032  -5.080  1.00  0.00           H  
HETATM   52  H   UNL     1       8.103  -1.604   1.986  1.00  0.00           H  
HETATM   53  H   UNL     1       9.473  -0.015   0.714  1.00  0.00           H  
HETATM   54  H   UNL     1       8.420   1.824  -0.534  1.00  0.00           H  
HETATM   55  H   UNL     1       5.991   2.095  -0.526  1.00  0.00           H  
HETATM   56  H   UNL     1       3.063  -1.184   2.072  1.00  0.00           H  
HETATM   57  H   UNL     1       0.482   3.720  -2.555  1.00  0.00           H  
HETATM   58  H   UNL     1       2.244   1.092   1.016  1.00  0.00           H  
HETATM   59  H   UNL     1       3.491   2.173   0.348  1.00  0.00           H  
HETATM   60  H   UNL     1       3.711   0.659  -1.616  1.00  0.00           H  
HETATM   61  H   UNL     1       2.447  -2.712  -1.562  1.00  0.00           H  
HETATM   62  H   UNL     1       3.084  -1.537  -2.738  1.00  0.00           H  
HETATM   63  H   UNL     1       3.975  -1.860  -1.231  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.009  -6.926  -1.482  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.386  -6.411  -0.479  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.156  -4.813  -2.770  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.533  -4.297  -1.768  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.100  -4.398   0.253  1.00  0.00           H  
HETATM   69  H   UNL     1       0.278  -4.914  -0.750  1.00  0.00           H  
HETATM   70  H   UNL     1       0.131  -2.800  -2.038  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.246  -2.284  -1.035  1.00  0.00           H  
HETATM   72  H   UNL     1       1.518  -2.978   0.036  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.132   0.152   3.191  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.289  -0.894   4.622  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.689  -0.615   3.895  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.543  -2.836   3.276  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.537  -2.431   1.410  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.794  -3.027   3.062  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.724  -0.020   4.011  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.902  -1.786   3.880  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.601  -1.094   4.879  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.068  -0.286  -1.490  1.00  0.00           H  
HETATM   83  H   UNL     1       0.482  -2.718   2.104  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.559   0.053   1.120  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.098   1.061   2.089  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.903   1.616   3.290  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.667   2.064   0.283  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.316   3.262   1.426  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.605   2.001   1.906  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.817   4.727   2.543  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.662   3.368   3.681  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.204   4.163   3.042  1.00  0.00           H  
HETATM   93  H   UNL     1       0.168   4.900  -0.419  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.371   4.832  -1.314  1.00  0.00           H  
HETATM   95  H   UNL     1       0.908   2.349  -0.057  1.00  0.00           H  
HETATM   96  H   UNL     1       5.354  -2.160   2.612  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.261   1.111  -0.572  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.849  -0.756  -4.346  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.487  -6.760  -3.405  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.086  -7.836  -2.287  1.00  0.00           H  
CONECT    1    2    2    9   50                                       
CONECT    2    1    1    7   51                                       
CONECT    3   10    4    4   52                                       
CONECT    4    3    3    5   53                                       
CONECT    5    6    6    4   54                                       
CONECT    6    8    5    5   55                                       
CONECT    7    2   45   28   28                                       
CONECT    8   12   10   10    6                                       
CONECT    9    1   13   44   44                                       
CONECT   10   42    8    8    3                                       
CONECT   11   12   12   42   56                                       
CONECT   12   14   11   11    8                                       
CONECT   13   40    9   41   57                                       
CONECT   14   15   12   58   59                                       
CONECT   15   14   29   30   60                                       
CONECT   16   30   61   62   63                                       
CONECT   17   22   30   49   49                                       
CONECT   18   48   19   64   65                                       
CONECT   19   18   20   66   67                                       
CONECT   20   21   19   68   69                                       
CONECT   21   22   20   70   71                                       
CONECT   22   21   17   31   72                                       
CONECT   23   31   47   47   25                                       
CONECT   24   25   73   74   75                                       
CONECT   25   23   24   26   76                                       
CONECT   26   32   25   77   78                                       
CONECT   27   32   79   80   81                                       
CONECT   28    7    7   44   82                                       
CONECT   29   43   43   41   15                                       
CONECT   30   16   17   15                                            
CONECT   31   22   23   83                                            
CONECT   32   27   33   33   26                                       
CONECT   33   34   32   32   84                                       
CONECT   34   35   33   85   86                                       
CONECT   35   36   34   87   88                                       
CONECT   36   37   38   35   89                                       
CONECT   37   36   90   91   92                                       
CONECT   38   36   39                                                 
CONECT   39   46   46   40   38                                       
CONECT   40   13   39   93   94                                       
CONECT   41   13   29   95                                            
CONECT   42   11   10   96                                            
CONECT   43   29   29                                                 
CONECT   44    9    9   28   97                                       
CONECT   45    7   98                                                 
CONECT   46   39   39                                                 
CONECT   47   23   23                                                 
CONECT   48   18   99  100                                            
CONECT   49   17   17                                                 
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56   11                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   27                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   31                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   35                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   37                                                      
CONECT   92   37                                                      
CONECT   93   40                                                      
CONECT   94   40                                                      
CONECT   95   41                                                      
CONECT   96   42                                                      
CONECT   97   44                                                      
CONECT   98   45                                                      
CONECT   99   48                                                      
CONECT  100   48                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
