COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.372   3.799  -1.526  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.957   4.351  -1.003  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.487   5.409  -1.972  1.00  0.00           C  
HETATM    4  C   UNL     1       0.866   2.698  -0.581  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.742  -0.277   1.445  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.995  -0.135   0.852  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.402  -1.026  -0.100  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.526  -2.069  -0.452  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.875  -3.022  -1.423  1.00  0.00           C  
HETATM   10  C   UNL     1     -10.000  -4.016  -1.736  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.760  -4.102  -1.105  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.389  -3.197  -0.159  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.266  -2.155   0.191  1.00  0.00           C  
HETATM   14  N   UNL     1      -8.926  -1.247   1.112  1.00  0.00           N1+
HETATM   15  C   UNL     1      -7.621  -1.346   1.770  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.564  -0.648   0.912  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.200  -0.751   1.599  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.159  -0.063   0.754  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.321   0.924   1.146  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.877  -0.313  -0.530  1.00  0.00           N  
HETATM   21  N   UNL     1      -2.931   0.471  -0.909  1.00  0.00           N  
HETATM   22  N   UNL     1      -2.567   1.231   0.065  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.517   2.251   0.012  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.211   1.615  -0.471  1.00  0.00           C  
HETATM   25  O   UNL     1       0.209   0.618   0.464  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.904   3.286  -0.894  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.665   6.006  -1.428  1.00  0.00           O  
HETATM   28  O   UNL     1       1.339   4.850  -1.581  1.00  0.00           O  
HETATM   29  O   UNL     1       2.068   2.127  -1.101  1.00  0.00           O  
HETATM   30  C   UNL     1       2.958   1.634  -0.097  1.00  0.00           C  
HETATM   31  C   UNL     1       4.146   0.936  -0.766  1.00  0.00           C  
HETATM   32  O   UNL     1       3.680  -0.189  -1.514  1.00  0.00           O  
HETATM   33  O   UNL     1       3.432   2.723   0.696  1.00  0.00           O  
HETATM   34  C   UNL     1       4.314   2.336   1.752  1.00  0.00           C  
HETATM   35  C   UNL     1       4.733   3.574   2.547  1.00  0.00           C  
HETATM   36  O   UNL     1       3.589   4.132   3.197  1.00  0.00           O  
HETATM   37  C   UNL     1       5.556   1.667   1.157  1.00  0.00           C  
HETATM   38  O   UNL     1       6.413   1.226   2.213  1.00  0.00           O  
HETATM   39  C   UNL     1       5.124   0.464   0.313  1.00  0.00           C  
HETATM   40  O   UNL     1       6.271  -0.123  -0.305  1.00  0.00           O  
HETATM   41  C   UNL     1       6.152  -1.528  -0.536  1.00  0.00           C  
HETATM   42  O   UNL     1       6.070  -2.212   0.716  1.00  0.00           O  
HETATM   43  C   UNL     1       5.922  -3.629   0.599  1.00  0.00           C  
HETATM   44  C   UNL     1       5.817  -4.248   1.994  1.00  0.00           C  
HETATM   45  O   UNL     1       4.620  -3.793   2.628  1.00  0.00           O  
HETATM   46  C   UNL     1       7.137  -4.209  -0.128  1.00  0.00           C  
HETATM   47  O   UNL     1       6.965  -5.618  -0.298  1.00  0.00           O  
HETATM   48  C   UNL     1       7.270  -3.541  -1.500  1.00  0.00           C  
HETATM   49  O   UNL     1       8.443  -4.025  -2.156  1.00  0.00           O  
HETATM   50  C   UNL     1       7.377  -2.025  -1.308  1.00  0.00           C  
HETATM   51  O   UNL     1       7.428  -1.385  -2.585  1.00  0.00           O  
HETATM   52  H   UNL     1       0.227   3.385  -2.523  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.803   4.801  -0.022  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.727   6.176  -2.124  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.725   4.939  -2.927  1.00  0.00           H  
HETATM   56  H   UNL     1       1.060   3.123   0.404  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.433   0.435   2.197  1.00  0.00           H  
HETATM   58  H   UNL     1     -11.643   0.677   1.145  1.00  0.00           H  
HETATM   59  H   UNL     1     -12.370  -0.931  -0.570  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.833  -2.966  -1.918  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.270  -4.749  -2.482  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.083  -4.901  -1.371  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.425  -3.277   0.320  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.670  -0.867   2.747  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.354  -2.395   1.892  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.515  -1.127  -0.066  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.830   0.402   0.789  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.249  -0.271   2.576  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.934  -1.801   1.721  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.265   1.377   2.125  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.370   2.674   1.006  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.368   1.156  -1.447  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.426  -0.101   0.584  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.057   6.688  -1.991  1.00  0.00           H  
HETATM   75  H   UNL     1       1.090   5.582  -2.162  1.00  0.00           H  
HETATM   76  H   UNL     1       2.431   0.923   0.539  1.00  0.00           H  
HETATM   77  H   UNL     1       4.649   1.635  -1.434  1.00  0.00           H  
HETATM   78  H   UNL     1       3.051   0.037  -2.213  1.00  0.00           H  
HETATM   79  H   UNL     1       3.805   1.634   2.412  1.00  0.00           H  
HETATM   80  H   UNL     1       5.474   3.292   3.295  1.00  0.00           H  
HETATM   81  H   UNL     1       5.163   4.312   1.870  1.00  0.00           H  
HETATM   82  H   UNL     1       3.781   4.922   3.720  1.00  0.00           H  
HETATM   83  H   UNL     1       6.089   2.380   0.528  1.00  0.00           H  
HETATM   84  H   UNL     1       6.722   1.937   2.791  1.00  0.00           H  
HETATM   85  H   UNL     1       4.635  -0.273   0.951  1.00  0.00           H  
HETATM   86  H   UNL     1       5.251  -1.726  -1.117  1.00  0.00           H  
HETATM   87  H   UNL     1       5.018  -3.854   0.032  1.00  0.00           H  
HETATM   88  H   UNL     1       5.793  -5.334   1.909  1.00  0.00           H  
HETATM   89  H   UNL     1       6.680  -3.949   2.590  1.00  0.00           H  
HETATM   90  H   UNL     1       4.488  -4.147   3.519  1.00  0.00           H  
HETATM   91  H   UNL     1       8.037  -4.021   0.459  1.00  0.00           H  
HETATM   92  H   UNL     1       7.699  -6.052  -0.752  1.00  0.00           H  
HETATM   93  H   UNL     1       6.393  -3.772  -2.104  1.00  0.00           H  
HETATM   94  H   UNL     1       8.590  -3.643  -3.032  1.00  0.00           H  
HETATM   95  H   UNL     1       8.281  -1.791  -0.746  1.00  0.00           H  
HETATM   96  H   UNL     1       7.491  -0.421  -2.540  1.00  0.00           H  
CONECT    1   28    2    4   52                                       
CONECT    2    3    1   26   53                                       
CONECT    3   27    2   54   55                                       
CONECT    4    1   29   24   56                                       
CONECT    5   14   14    6   57                                       
CONECT    6    5    7    7   58                                       
CONECT    7    6    6    8   59                                       
CONECT    8   13    7    9    9                                       
CONECT    9    8    8   10   60                                       
CONECT   10   11   11    9   61                                       
CONECT   11   12   10   10   62                                       
CONECT   12   13   13   11   63                                       
CONECT   13   14   12   12    8                                       
CONECT   14   15    5    5   13                                       
CONECT   15   16   14   64   65                                       
CONECT   16   17   15   66   67                                       
CONECT   17   18   16   68   69                                       
CONECT   18   19   19   20   17                                       
CONECT   19   22   18   18   70                                       
CONECT   20   21   21   18                                            
CONECT   21   22   20   20                                            
CONECT   22   23   21   19                                            
CONECT   23   26   24   22   71                                       
CONECT   24    4   23   25   72                                       
CONECT   25   24   73                                                 
CONECT   26    2   23                                                 
CONECT   27    3   74                                                 
CONECT   28    1   75                                                 
CONECT   29    4   30                                                 
CONECT   30   29   33   31   76                                       
CONECT   31   30   39   32   77                                       
CONECT   32   31   78                                                 
CONECT   33   34   30                                                 
CONECT   34   35   33   37   79                                       
CONECT   35   36   34   80   81                                       
CONECT   36   35   82                                                 
CONECT   37   34   39   38   83                                       
CONECT   38   37   84                                                 
CONECT   39   31   37   40   85                                       
CONECT   40   39   41                                                 
CONECT   41   40   50   42   86                                       
CONECT   42   41   43                                                 
CONECT   43   42   46   44   87                                       
CONECT   44   43   45   88   89                                       
CONECT   45   44   90                                                 
CONECT   46   48   43   47   91                                       
CONECT   47   46   92                                                 
CONECT   48   50   49   46   93                                       
CONECT   49   48   94                                                 
CONECT   50   51   41   48   95                                       
CONECT   51   50   96                                                 
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    4                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   19                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
CONECT   86   41                                                      
CONECT   87   43                                                      
CONECT   88   44                                                      
CONECT   89   44                                                      
CONECT   90   45                                                      
CONECT   91   46                                                      
CONECT   92   47                                                      
CONECT   93   48                                                      
CONECT   94   49                                                      
CONECT   95   50                                                      
CONECT   96   51                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
