COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.511   1.256   0.054  1.00  0.00           N  
HETATM    2  N   UNL     1      -0.310   3.155  -0.366  1.00  0.00           N  
HETATM    3  O   UNL     1      -2.430   3.486  -1.157  1.00  0.00           O  
HETATM    4  N   UNL     1      -5.095  -2.204  -0.543  1.00  0.00           N  
HETATM    5  O   UNL     1      -6.937  -4.033   0.603  1.00  0.00           O  
HETATM    6  N   UNL     1      -1.035  -0.480  -1.040  1.00  0.00           N  
HETATM    7  C   UNL     1       2.045   0.042   0.072  1.00  0.00           C  
HETATM    8  O   UNL     1       6.562  -0.895  -1.926  1.00  0.00           O  
HETATM    9  C   UNL     1       0.674   3.978   0.159  1.00  0.00           C  
HETATM   10  CA  UNL     1      -5.801  -2.059   0.632  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.010  -1.302  -1.522  1.00  0.00           C  
HETATM   12  O   UNL     1       2.344  -2.198   1.892  1.00  0.00           O  
HETATM   13  C   UNL     1       3.445   0.125   0.644  1.00  0.00           C  
HETATM   14  O   UNL     1       8.195  -0.780  -0.442  1.00  0.00           O  
HETATM   15  C   UNL     1       0.200   5.304   0.183  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.452  -0.835   1.176  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.532  -2.557  -1.616  1.00  0.00           C  
HETATM   18  O   UNL     1       2.985  -4.164   1.112  1.00  0.00           O  
HETATM   19  C   UNL     1       3.604   1.630   0.950  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.084   5.295  -0.330  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.527  -0.253   0.308  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.183  -2.538  -1.171  1.00  0.00           C  
HETATM   23  C   UNL     1       2.277   2.212   0.514  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.390   3.897  -0.677  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.330  -1.108  -0.726  1.00  0.00           C  
HETATM   26  C   UNL     1       0.102  -1.215  -0.814  1.00  0.00           C  
HETATM   27  C   UNL     1       4.479  -0.330  -0.387  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.972   6.457  -0.496  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.864   1.089   0.487  1.00  0.00           C  
HETATM   30  C   UNL     1       0.948  -3.366  -0.965  1.00  0.00           C  
HETATM   31  C   UNL     1       5.865  -0.359   0.260  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.190   6.295  -1.008  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.562   0.913   1.273  1.00  0.00           C  
HETATM   34  C   UNL     1       2.048  -2.477  -0.428  1.00  0.00           C  
HETATM   35  O   UNL     1       1.021  -4.559  -1.178  1.00  0.00           O  
HETATM   36  C   UNL     1       3.370  -4.538   2.461  1.00  0.00           C  
HETATM   37  C   UNL     1       6.899  -0.697  -0.783  1.00  0.00           C  
HETATM   38  C   UNL     1       2.470  -2.936   0.944  1.00  0.00           C  
HETATM   39  C   UNL     1       1.432  -1.099  -0.356  1.00  0.00           C  
HETATM   40  C   UNL     1       1.923   3.564   0.590  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.715  -2.988   1.180  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.406  -0.872  -1.893  1.00  0.00           C  
HETATM   43  C   UNL     1       3.828   1.857   2.446  1.00  0.00           C  
HETATM   44  C   UNL     1       0.954   6.511   0.677  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.971  -0.243   2.461  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.291  -3.764  -2.104  1.00  0.00           C  
HETATM   47  H   UNL     1      -0.232   2.196  -0.493  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.138  -2.969  -1.137  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.128   0.473  -0.885  1.00  0.00           H  
HETATM   50  H   UNL     1       3.524  -0.464   1.558  1.00  0.00           H  
HETATM   51  H   UNL     1       4.422   2.057   0.368  1.00  0.00           H  
HETATM   52  H   UNL     1       4.223  -1.328  -0.743  1.00  0.00           H  
HETATM   53  H   UNL     1       4.485   0.364  -1.227  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.636   7.440  -0.204  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.643   1.518  -0.490  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.532   1.754   1.035  1.00  0.00           H  
HETATM   57  H   UNL     1       6.088   0.618   0.688  1.00  0.00           H  
HETATM   58  H   UNL     1       5.883  -1.113   1.047  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.842   7.148  -1.130  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.527   5.312  -1.301  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.783   0.484   2.250  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.894   0.248   0.726  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.083   1.884   1.403  1.00  0.00           H  
HETATM   64  H   UNL     1       2.901  -2.478  -1.107  1.00  0.00           H  
HETATM   65  H   UNL     1       3.770  -5.552   2.457  1.00  0.00           H  
HETATM   66  H   UNL     1       4.131  -3.848   2.827  1.00  0.00           H  
HETATM   67  H   UNL     1       2.497  -4.495   3.113  1.00  0.00           H  
HETATM   68  H   UNL     1       2.624   4.284   0.985  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.214  -2.769   2.112  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.404   0.188  -2.147  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.749  -1.451  -2.751  1.00  0.00           H  
HETATM   72  H   UNL     1       4.732   1.335   2.762  1.00  0.00           H  
HETATM   73  H   UNL     1       3.938   2.924   2.640  1.00  0.00           H  
HETATM   74  H   UNL     1       2.974   1.472   3.004  1.00  0.00           H  
HETATM   75  H   UNL     1       1.512   6.954  -0.148  1.00  0.00           H  
HETATM   76  H   UNL     1       0.250   7.242   1.073  1.00  0.00           H  
HETATM   77  H   UNL     1       1.646   6.210   1.464  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.330  -0.548   3.288  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.973   0.845   2.385  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.987  -0.596   2.639  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.160  -3.865  -3.181  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.912  -4.657  -1.607  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.350  -3.644  -1.877  1.00  0.00           H  
HETATM   84  H   UNL     1       8.821  -0.999  -1.145  1.00  0.00           H  
CONECT    1    7   23   23                                            
CONECT    2    9   24   47                                            
CONECT    3   24   24                                                 
CONECT    4   10   25   48                                            
CONECT    5   41   41                                                 
CONECT    6   11   26   49                                            
CONECT    7    1   13   39   39                                       
CONECT    8   37   37                                                 
CONECT    9    2   15   40   40                                       
CONECT   10    4   16   16   41                                       
CONECT   11    6   17   17   42                                       
CONECT   12   38   38                                                 
CONECT   13    7   19   27   50                                       
CONECT   14   37   84                                                 
CONECT   15    9   20   20   44                                       
CONECT   16   10   10   21   45                                       
CONECT   17   11   11   22   46                                       
CONECT   18   36   38                                                 
CONECT   19   13   23   43   51                                       
CONECT   20   15   15   24   28                                       
CONECT   21   16   25   25   29                                       
CONECT   22   17   26   26   30                                       
CONECT   23    1    1   19   40                                       
CONECT   24    2    3    3   20                                       
CONECT   25    4   21   21   42                                       
CONECT   26    6   22   22   39                                       
CONECT   27   13   31   52   53                                       
CONECT   28   20   32   32   54                                       
CONECT   29   21   33   55   56                                       
CONECT   30   22   34   35   35                                       
CONECT   31   27   37   57   58                                       
CONECT   32   28   28   59   60                                       
CONECT   33   29   61   62   63                                       
CONECT   34   30   38   39   64                                       
CONECT   35   30   30                                                 
CONECT   36   18   65   66   67                                       
CONECT   37    8    8   14   31                                       
CONECT   38   12   12   18   34                                       
CONECT   39    7    7   26   34                                       
CONECT   40    9    9   23   68                                       
CONECT   41    5    5   10   69                                       
CONECT   42   11   25   70   71                                       
CONECT   43   19   72   73   74                                       
CONECT   44   15   75   76   77                                       
CONECT   45   16   78   79   80                                       
CONECT   46   17   81   82   83                                       
CONECT   47    2                                                      
CONECT   48    4                                                      
CONECT   49    6                                                      
CONECT   50   13                                                      
CONECT   51   19                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   29                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
CONECT   68   40                                                      
CONECT   69   41                                                      
CONECT   70   42                                                      
CONECT   71   42                                                      
CONECT   72   43                                                      
CONECT   73   43                                                      
CONECT   74   43                                                      
CONECT   75   44                                                      
CONECT   76   44                                                      
CONECT   77   44                                                      
CONECT   78   45                                                      
CONECT   79   45                                                      
CONECT   80   45                                                      
CONECT   81   46                                                      
CONECT   82   46                                                      
CONECT   83   46                                                      
CONECT   84   14                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
