COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       6.215  -5.270   1.139  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.761  -2.347   0.696  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.948  -1.429   0.813  1.00  0.00           C  
HETATM    4  N   UNL     1       5.119  -3.410   1.987  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.137  -2.035   0.065  1.00  0.00           C  
HETATM    6  O   UNL     1       5.277   0.965   0.946  1.00  0.00           O  
HETATM    7  C   UNL     1       3.146  -3.631   0.019  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.420  -3.597  -0.377  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.708  -4.373  -0.099  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.852  -3.441  -0.110  1.00  0.00           N  
HETATM   11  C   UNL     1       0.761  -4.326   0.268  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.738  -2.114   1.305  1.00  0.00           O  
HETATM   13  C   UNL     1       1.961  -4.302  -0.680  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.470   0.715   2.301  1.00  0.00           O  
HETATM   15  C   UNL     1       5.219  -4.432   1.074  1.00  0.00           C  
HETATM   16  N   UNL     1      -9.946  -1.485  -0.958  1.00  0.00           N  
HETATM   17  N   UNL     1       4.267  -4.572   0.092  1.00  0.00           N  
HETATM   18  C   UNL     1       3.563  -2.413  -0.764  1.00  0.00           C  
HETATM   19  O   UNL     1       3.378  -2.358  -1.961  1.00  0.00           O  
HETATM   20  C   UNL     1      -6.377  -1.166   0.287  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.565  -1.772  -0.462  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.805  -0.903  -0.239  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.421   0.909   1.105  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.141   2.287   0.564  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.519   2.174  -0.829  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.137   1.528  -0.720  1.00  0.00           C  
HETATM   27  C   UNL     1       0.639   0.718  -2.217  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.348   3.858   0.871  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.350   4.604   1.717  1.00  0.00           C  
HETATM   30  C   UNL     1       0.889   4.879   0.903  1.00  0.00           C  
HETATM   31  C   UNL     1       1.977   4.030   0.993  1.00  0.00           C  
HETATM   32  C   UNL     1       3.112   4.280   0.246  1.00  0.00           C  
HETATM   33  C   UNL     1       4.298   3.357   0.349  1.00  0.00           C  
HETATM   34  C   UNL     1       4.652   1.010  -0.093  1.00  0.00           C  
HETATM   35  C   UNL     1       4.517  -0.216  -0.957  1.00  0.00           C  
HETATM   36  C   UNL     1       3.160   5.378  -0.592  1.00  0.00           C  
HETATM   37  C   UNL     1       2.073   6.228  -0.682  1.00  0.00           C  
HETATM   38  C   UNL     1       0.937   5.978   0.065  1.00  0.00           C  
HETATM   39  N   UNL     1       4.062   2.170  -0.495  1.00  0.00           N  
HETATM   40  N   UNL     1       4.153  -1.371  -0.106  1.00  0.00           N  
HETATM   41  N   UNL     1      -3.618  -0.116   0.229  1.00  0.00           N  
HETATM   42  N   UNL     1      -0.600   1.293  -2.063  1.00  0.00           N  
HETATM   43  N   UNL     1       1.116   0.509  -3.412  1.00  0.00           N  
HETATM   44  N   UNL     1       1.375   0.363  -1.111  1.00  0.00           N  
HETATM   45  N   UNL     1      -2.200   2.977   1.475  1.00  0.00           N  
HETATM   46  O   UNL     1      -1.394   4.036  -0.328  1.00  0.00           O  
HETATM   47  H   UNL     1       6.887  -5.171   1.832  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.207  -1.303   1.865  1.00  0.00           H  
HETATM   49  H   UNL     1       5.790  -3.311   2.681  1.00  0.00           H  
HETATM   50  H   UNL     1       4.377  -2.787   1.939  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.911  -2.079  -1.001  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.327  -3.041   0.438  1.00  0.00           H  
HETATM   53  H   UNL     1       2.854  -3.334   1.026  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.261  -3.529  -1.454  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.502  -2.594   0.042  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.850  -5.131  -0.870  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.640  -4.854   0.877  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.632  -3.600  -0.664  1.00  0.00           H  
HETATM   59  H   UNL     1       1.026  -3.831   1.202  1.00  0.00           H  
HETATM   60  H   UNL     1       0.481  -5.360   0.473  1.00  0.00           H  
HETATM   61  H   UNL     1       1.703  -3.740  -1.579  1.00  0.00           H  
HETATM   62  H   UNL     1       2.230  -5.322  -0.954  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.778  -0.928  -0.827  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.737  -1.596  -1.939  1.00  0.00           H  
HETATM   65  H   UNL     1       4.337  -5.293  -0.553  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.603  -1.121   1.352  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.187  -0.159  -0.086  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.339  -1.816  -1.527  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.755  -2.778  -0.088  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.615   0.104  -0.613  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.031  -0.858   0.826  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.071   2.852   0.504  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.158   1.559  -1.463  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.423   3.168  -1.265  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.468   2.193  -0.172  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.219   0.579  -0.191  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.785   5.548   2.046  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.087   4.002   2.587  1.00  0.00           H  
HETATM   79  H   UNL     1       1.939   3.172   1.647  1.00  0.00           H  
HETATM   80  H   UNL     1       5.194   3.875   0.007  1.00  0.00           H  
HETATM   81  H   UNL     1       4.429   3.047   1.386  1.00  0.00           H  
HETATM   82  H   UNL     1       3.738  -0.053  -1.702  1.00  0.00           H  
HETATM   83  H   UNL     1       5.465  -0.416  -1.457  1.00  0.00           H  
HETATM   84  H   UNL     1       4.047   5.572  -1.178  1.00  0.00           H  
HETATM   85  H   UNL     1       2.112   7.087  -1.335  1.00  0.00           H  
HETATM   86  H   UNL     1       0.088   6.641  -0.006  1.00  0.00           H  
HETATM   87  H   UNL     1       3.515   2.213  -1.294  1.00  0.00           H  
HETATM   88  H   UNL     1       4.321  -1.387   0.850  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.544   0.012  -0.730  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.119   1.544  -2.843  1.00  0.00           H  
HETATM   91  H   UNL     1       0.598   0.759  -4.192  1.00  0.00           H  
HETATM   92  H   UNL     1       1.019   0.518  -0.222  1.00  0.00           H  
HETATM   93  H   UNL     1       2.249  -0.043  -1.220  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.190   2.817   2.431  1.00  0.00           H  
CONECT    1   15   15   47                                            
CONECT    2    3   12   12   10                                       
CONECT    3    5   41    2   48                                       
CONECT    4   15   49   50                                            
CONECT    5   20    3   51   52                                       
CONECT    6   34   34                                                 
CONECT    7   18   17   13   53                                       
CONECT    8   11    9   54   55                                       
CONECT    9   10    8   56   57                                       
CONECT   10    2    9   58                                            
CONECT   11   13    8   59   60                                       
CONECT   12    2    2                                                 
CONECT   13    7   11   61   62                                       
CONECT   14   23   23                                                 
CONECT   15    1    1   17    4                                       
CONECT   16   22   63   64                                            
CONECT   17    7   15   65                                            
CONECT   18   19   19   40    7                                       
CONECT   19   18   18                                                 
CONECT   20   21    5   66   67                                       
CONECT   21   22   20   68   69                                       
CONECT   22   16   21   70   71                                       
CONECT   23   24   41   14   14                                       
CONECT   24   45   25   23   72                                       
CONECT   25   26   24   73   74                                       
CONECT   26   42   25   75   76                                       
CONECT   27   43   43   44   42                                       
CONECT   28   29   45   46   46                                       
CONECT   29   30   28   77   78                                       
CONECT   30   38   29   31   31                                       
CONECT   31   30   30   32   79                                       
CONECT   32   36   36   31   33                                       
CONECT   33   32   39   80   81                                       
CONECT   34    6    6   39   35                                       
CONECT   35   34   40   82   83                                       
CONECT   36   37   32   32   84                                       
CONECT   37   38   38   36   85                                       
CONECT   38   37   37   30   86                                       
CONECT   39   33   34   87                                            
CONECT   40   35   18   88                                            
CONECT   41    3   23   89                                            
CONECT   42   27   26   90                                            
CONECT   43   27   27   91                                            
CONECT   44   27   92   93                                            
CONECT   45   28   24   94                                            
CONECT   46   28   28                                                 
CONECT   47    1                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   13                                                      
CONECT   62   13                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   31                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   35                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   42                                                      
CONECT   91   43                                                      
CONECT   92   44                                                      
CONECT   93   44                                                      
CONECT   94   45                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
