COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.119  -1.038  -1.265  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.545   0.351   0.446  1.00  0.00           C  
HETATM    3  N   UNL     1       2.439  -0.855  -0.219  1.00  0.00           N  
HETATM    4  N   UNL     1       1.477  -4.282   0.692  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.300  -0.344  -0.403  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.553  -1.001  -1.565  1.00  0.00           C  
HETATM    7  C   UNL     1       0.423  -2.120  -0.608  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.082  -1.099   0.791  1.00  0.00           O  
HETATM    9  C   UNL     1       1.684  -2.047  -0.084  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.042   0.389   0.133  1.00  0.00           C  
HETATM   11  C   UNL     1       0.261   0.981  -2.548  1.00  0.00           C  
HETATM   12  C   UNL     1       1.093   2.025  -2.917  1.00  0.00           C  
HETATM   13  C   UNL     1       2.368   2.118  -2.395  1.00  0.00           C  
HETATM   14  C   UNL     1       2.824   1.167  -1.497  1.00  0.00           C  
HETATM   15  C   UNL     1       3.266   3.258  -2.802  1.00  0.00           C  
HETATM   16  C   UNL     1       0.605   3.064  -3.894  1.00  0.00           C  
HETATM   17  C   UNL     1       2.218  -3.160   0.582  1.00  0.00           C  
HETATM   18  C   UNL     1       0.238  -4.339   0.171  1.00  0.00           C  
HETATM   19  C   UNL     1       3.655  -0.648   0.571  1.00  0.00           C  
HETATM   20  C   UNL     1       4.848  -1.147  -0.203  1.00  0.00           C  
HETATM   21  C   UNL     1       5.876  -0.359  -0.401  1.00  0.00           C  
HETATM   22  C   UNL     1       5.931   0.990   0.267  1.00  0.00           C  
HETATM   23  C   UNL     1       7.003  -0.803  -1.298  1.00  0.00           C  
HETATM   24  C   UNL     1       6.666   0.868   1.603  1.00  0.00           C  
HETATM   25  C   UNL     1       6.721   2.218   2.271  1.00  0.00           C  
HETATM   26  C   UNL     1       7.872   2.710   2.660  1.00  0.00           C  
HETATM   27  C   UNL     1       7.946   4.113   3.203  1.00  0.00           C  
HETATM   28  C   UNL     1       9.120   1.871   2.565  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.798  -0.306  -0.716  1.00  0.00           C  
HETATM   30  C   UNL     1       0.709   0.028  -1.652  1.00  0.00           C  
HETATM   31  C   UNL     1       1.999   0.122  -1.125  1.00  0.00           C  
HETATM   32  N   UNL     1      -0.296  -3.284  -0.472  1.00  0.00           N  
HETATM   33  O   UNL     1      -9.010   0.037   1.047  1.00  0.00           O  
HETATM   34  O   UNL     1      -6.726   1.105   1.163  1.00  0.00           O  
HETATM   35  O   UNL     1      -8.720   2.270  -0.095  1.00  0.00           O  
HETATM   36  O   UNL     1      -8.758   2.067   2.526  1.00  0.00           O  
HETATM   37  O   UNL     1      -4.327  -0.403   1.640  1.00  0.00           O  
HETATM   38  O   UNL     1      -4.016   0.448  -1.910  1.00  0.00           O  
HETATM   39  O   UNL     1       3.340  -3.114   1.058  1.00  0.00           O  
HETATM   40  O   UNL     1      -0.410  -5.362   0.283  1.00  0.00           O  
HETATM   41  P   UNL     1      -8.319   1.341   1.157  1.00  0.00           P  
HETATM   42  H   UNL     1      -4.177   1.367   0.586  1.00  0.00           H  
HETATM   43  H   UNL     1       1.841  -5.055   1.152  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.933   0.672  -0.263  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.719  -0.426  -2.476  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.921  -2.018  -1.705  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.386  -2.015   0.738  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.201   0.887  -0.824  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.428  -0.629   0.080  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.736   0.912  -2.958  1.00  0.00           H  
HETATM   51  H   UNL     1       3.822   1.241  -1.089  1.00  0.00           H  
HETATM   52  H   UNL     1       3.122   4.096  -2.120  1.00  0.00           H  
HETATM   53  H   UNL     1       4.306   2.933  -2.764  1.00  0.00           H  
HETATM   54  H   UNL     1       3.020   3.569  -3.818  1.00  0.00           H  
HETATM   55  H   UNL     1       0.126   3.878  -3.350  1.00  0.00           H  
HETATM   56  H   UNL     1       1.450   3.454  -4.462  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.114   2.611  -4.577  1.00  0.00           H  
HETATM   58  H   UNL     1       3.776   0.415   0.780  1.00  0.00           H  
HETATM   59  H   UNL     1       3.576  -1.196   1.510  1.00  0.00           H  
HETATM   60  H   UNL     1       4.856  -2.154  -0.594  1.00  0.00           H  
HETATM   61  H   UNL     1       6.462   1.693  -0.377  1.00  0.00           H  
HETATM   62  H   UNL     1       4.918   1.351   0.441  1.00  0.00           H  
HETATM   63  H   UNL     1       6.798  -0.491  -2.322  1.00  0.00           H  
HETATM   64  H   UNL     1       7.936  -0.351  -0.960  1.00  0.00           H  
HETATM   65  H   UNL     1       7.092  -1.889  -1.260  1.00  0.00           H  
HETATM   66  H   UNL     1       6.136   0.166   2.246  1.00  0.00           H  
HETATM   67  H   UNL     1       7.680   0.507   1.429  1.00  0.00           H  
HETATM   68  H   UNL     1       5.813   2.780   2.429  1.00  0.00           H  
HETATM   69  H   UNL     1       7.313   4.195   4.087  1.00  0.00           H  
HETATM   70  H   UNL     1       8.977   4.344   3.473  1.00  0.00           H  
HETATM   71  H   UNL     1       7.603   4.815   2.444  1.00  0.00           H  
HETATM   72  H   UNL     1       9.540   1.957   1.562  1.00  0.00           H  
HETATM   73  H   UNL     1       9.850   2.222   3.295  1.00  0.00           H  
HETATM   74  H   UNL     1       8.875   0.829   2.768  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.165  -1.323  -0.857  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.191  -3.345  -0.840  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.302   3.142  -0.089  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.707   2.241   2.591  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.631  -1.320   1.587  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.712   1.365  -1.857  1.00  0.00           H  
CONECT    1    6    7   30                                            
CONECT    2   37   10   29   42                                       
CONECT    3    9   31   19                                            
CONECT    4   18   17   43                                            
CONECT    5   29    8    6   44                                       
CONECT    6    5    1   45   46                                       
CONECT    7   32    1    9    9                                       
CONECT    8    5   47                                                 
CONECT    9    7    7   17    3                                       
CONECT   10   34    2   48   49                                       
CONECT   11   30   30   12   50                                       
CONECT   12   11   16   13   13                                       
CONECT   13   12   12   14   15                                       
CONECT   14   31   31   13   51                                       
CONECT   15   13   52   53   54                                       
CONECT   16   12   55   56   57                                       
CONECT   17    4    9   39   39                                       
CONECT   18   40   40   32    4                                       
CONECT   19    3   20   58   59                                       
CONECT   20   21   21   19   60                                       
CONECT   21   23   20   20   22                                       
CONECT   22   21   24   61   62                                       
CONECT   23   21   63   64   65                                       
CONECT   24   22   25   66   67                                       
CONECT   25   24   26   26   68                                       
CONECT   26   25   25   27   28                                       
CONECT   27   26   69   70   71                                       
CONECT   28   26   72   73   74                                       
CONECT   29    2   38    5   75                                       
CONECT   30    1   11   11   31                                       
CONECT   31   30    3   14   14                                       
CONECT   32   18    7   76                                            
CONECT   33   41   41                                                 
CONECT   34   41   10                                                 
CONECT   35   41   77                                                 
CONECT   36   41   78                                                 
CONECT   37    2   79                                                 
CONECT   38   29   80                                                 
CONECT   39   17   17                                                 
CONECT   40   18   18                                                 
CONECT   41   33   33   35   34                                       
CONECT   41   36                                                      
CONECT   42    2                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   32                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
