COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -7.474  -4.852  -0.455  1.00  0.00           N  
HETATM    2  C   UNL     1       1.689  -2.467  -1.237  1.00  0.00           C  
HETATM    3  C   UNL     1       2.888  -1.597  -1.516  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.356  -3.039  -1.373  1.00  0.00           N  
HETATM    5  C   UNL     1       4.146  -2.268  -0.962  1.00  0.00           C  
HETATM    6  O   UNL     1       5.609  -0.990   3.303  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.121  -3.381   0.215  1.00  0.00           C  
HETATM    8  O   UNL     1       0.609  -2.205  -1.724  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.545  -3.512   0.095  1.00  0.00           C  
HETATM   10  C   UNL     1       0.653  -4.405  -0.234  1.00  0.00           C  
HETATM   11  N   UNL     1       1.843  -3.555  -0.432  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.832  -4.169  -0.405  1.00  0.00           C  
HETATM   13  O   UNL     1       2.392   0.619  -2.889  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.886  -4.139   0.705  1.00  0.00           C  
HETATM   15  O   UNL     1       0.800   4.004   0.023  1.00  0.00           O  
HETATM   16  C   UNL     1      -6.374  -4.031  -0.527  1.00  0.00           C  
HETATM   17  N   UNL     1       9.073  -1.944  -0.659  1.00  0.00           N  
HETATM   18  N   UNL     1      -5.293  -4.256   0.292  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.342  -2.166   1.082  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.938  -2.136   2.225  1.00  0.00           O  
HETATM   21  C   UNL     1       5.376  -1.448  -1.353  1.00  0.00           C  
HETATM   22  C   UNL     1       6.635  -2.119  -0.799  1.00  0.00           C  
HETATM   23  C   UNL     1       7.865  -1.299  -1.191  1.00  0.00           C  
HETATM   24  C   UNL     1       2.469   0.774  -1.689  1.00  0.00           C  
HETATM   25  C   UNL     1       2.311   2.143  -1.079  1.00  0.00           C  
HETATM   26  C   UNL     1       1.841   2.008   0.371  1.00  0.00           C  
HETATM   27  C   UNL     1       2.850   1.209   1.154  1.00  0.00           C  
HETATM   28  C   UNL     1       4.151   1.663   1.268  1.00  0.00           C  
HETATM   29  C   UNL     1       5.081   0.929   1.988  1.00  0.00           C  
HETATM   30  C   UNL     1       4.701  -0.266   2.595  1.00  0.00           C  
HETATM   31  C   UNL     1       3.396  -0.714   2.477  1.00  0.00           C  
HETATM   32  C   UNL     1       2.472   0.026   1.762  1.00  0.00           C  
HETATM   33  C   UNL     1       0.595   3.830  -1.160  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.449   4.638  -1.889  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.577   4.951  -0.938  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.708   4.159  -0.917  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.735   4.443  -0.035  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.970   3.579  -0.008  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.427   1.287   0.603  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.197   0.060   1.449  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.630   5.523   0.822  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.502   6.322   0.793  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.475   6.034  -0.086  1.00  0.00           C  
HETATM   44  N   UNL     1       2.701  -0.287  -0.865  1.00  0.00           N  
HETATM   45  N   UNL     1       6.399   1.387   2.104  1.00  0.00           N  
HETATM   46  N   UNL     1       1.306   2.898  -1.861  1.00  0.00           N  
HETATM   47  N   UNL     1      -4.724   2.421   0.875  1.00  0.00           N  
HETATM   48  N   UNL     1      -5.010  -1.100   0.546  1.00  0.00           N  
HETATM   49  O   UNL     1      -6.227   1.264  -0.308  1.00  0.00           O  
HETATM   50  H   UNL     1      -8.237  -4.693  -1.033  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.486  -5.593   0.171  1.00  0.00           H  
HETATM   52  H   UNL     1       2.993  -1.457  -2.592  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.579  -2.459  -1.424  1.00  0.00           H  
HETATM   54  H   UNL     1       4.078  -2.326   0.125  1.00  0.00           H  
HETATM   55  H   UNL     1       4.233  -3.273  -1.375  1.00  0.00           H  
HETATM   56  H   UNL     1       5.654  -0.758   4.240  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.969  -3.067  -0.818  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.606  -3.370   1.174  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.420  -2.545  -0.392  1.00  0.00           H  
HETATM   60  H   UNL     1       0.830  -5.096   0.590  1.00  0.00           H  
HETATM   61  H   UNL     1       0.449  -4.967  -1.146  1.00  0.00           H  
HETATM   62  H   UNL     1       2.692  -3.761  -0.011  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.204  -3.626  -1.273  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.628  -5.203  -0.683  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.476  -3.638   1.581  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.166  -5.159   0.968  1.00  0.00           H  
HETATM   67  H   UNL     1       9.900  -1.420  -0.905  1.00  0.00           H  
HETATM   68  H   UNL     1       9.007  -2.068   0.340  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.307  -4.994   0.921  1.00  0.00           H  
HETATM   70  H   UNL     1       5.444  -1.390  -2.440  1.00  0.00           H  
HETATM   71  H   UNL     1       5.289  -0.443  -0.940  1.00  0.00           H  
HETATM   72  H   UNL     1       6.567  -2.178   0.287  1.00  0.00           H  
HETATM   73  H   UNL     1       6.722  -3.124  -1.212  1.00  0.00           H  
HETATM   74  H   UNL     1       7.778  -0.294  -0.778  1.00  0.00           H  
HETATM   75  H   UNL     1       7.932  -1.241  -2.277  1.00  0.00           H  
HETATM   76  H   UNL     1       3.265   2.668  -1.106  1.00  0.00           H  
HETATM   77  H   UNL     1       1.739   2.999   0.814  1.00  0.00           H  
HETATM   78  H   UNL     1       0.877   1.499   0.395  1.00  0.00           H  
HETATM   79  H   UNL     1       4.442   2.590   0.795  1.00  0.00           H  
HETATM   80  H   UNL     1       3.097  -1.638   2.950  1.00  0.00           H  
HETATM   81  H   UNL     1       1.455  -0.325   1.671  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.007   5.566  -2.249  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.832   4.063  -2.732  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.791   3.318  -1.590  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.811   4.157   0.374  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.192   3.229  -1.016  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.305   0.197   2.060  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.060  -0.110   2.092  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.429   5.743   1.514  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.423   7.170   1.456  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.592   6.656  -0.106  1.00  0.00           H  
HETATM   92  H   UNL     1       2.741  -0.185   0.099  1.00  0.00           H  
HETATM   93  H   UNL     1       6.633   2.274   1.790  1.00  0.00           H  
HETATM   94  H   UNL     1       7.077   0.817   2.499  1.00  0.00           H  
HETATM   95  H   UNL     1       1.162   2.741  -2.808  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.093   2.466   1.611  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.340  -1.102  -0.366  1.00  0.00           H  
CONECT    1   16   50   51                                            
CONECT    2    3    8    8   11                                       
CONECT    3    5   44    2   52                                       
CONECT    4   16   16   53                                            
CONECT    5   21    3   54   55                                       
CONECT    6   30   56                                                 
CONECT    7   19   18   14   57                                       
CONECT    8    2    2                                                 
CONECT    9   12   10   58   59                                       
CONECT   10   11    9   60   61                                       
CONECT   11    2   10   62                                            
CONECT   12   14    9   63   64                                       
CONECT   13   24   24                                                 
CONECT   14    7   12   65   66                                       
CONECT   15   33   33                                                 
CONECT   16    4    4    1   18                                       
CONECT   17   23   67   68                                            
CONECT   18   16    7   69                                            
CONECT   19   20   20   48    7                                       
CONECT   20   19   19                                                 
CONECT   21   22    5   70   71                                       
CONECT   22   23   21   72   73                                       
CONECT   23   17   22   74   75                                       
CONECT   24   25   44   13   13                                       
CONECT   25   46   26   24   76                                       
CONECT   26   27   25   77   78                                       
CONECT   27   32   26   28   28                                       
CONECT   28   27   27   29   79                                       
CONECT   29   30   30   28   45                                       
CONECT   30   31    6   29   29                                       
CONECT   31   32   32   30   80                                       
CONECT   32   31   31   27   81                                       
CONECT   33   34   46   15   15                                       
CONECT   34   35   33   82   83                                       
CONECT   35   43   34   36   36                                       
CONECT   36   35   35   37   84                                       
CONECT   37   41   41   36   38                                       
CONECT   38   37   47   85   86                                       
CONECT   39   49   49   47   40                                       
CONECT   40   39   48   87   88                                       
CONECT   41   42   37   37   89                                       
CONECT   42   43   43   41   90                                       
CONECT   43   42   42   35   91                                       
CONECT   44   24    3   92                                            
CONECT   45   29   93   94                                            
CONECT   46   33   25   95                                            
CONECT   47   38   39   96                                            
CONECT   48   40   19   97                                            
CONECT   49   39   39                                                 
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   14                                                      
CONECT   66   14                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   21                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   23                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   26                                                      
CONECT   79   28                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   36                                                      
CONECT   85   38                                                      
CONECT   86   38                                                      
CONECT   87   40                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   42                                                      
CONECT   91   43                                                      
CONECT   92   44                                                      
CONECT   93   45                                                      
CONECT   94   45                                                      
CONECT   95   46                                                      
CONECT   96   47                                                      
CONECT   97   48                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
