COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.873  -0.285   0.573  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.011  -0.462   1.656  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.861   0.291   1.749  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.559   1.226   0.767  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.416   1.405  -0.313  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.564   0.651  -0.415  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.178   2.910  -0.183  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.865   3.645   0.095  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.919   4.269   1.466  1.00  0.00           C  
HETATM   10  C   UNL     1     -10.298  -1.049   0.105  1.00  0.00           C  
HETATM   11  C   UNL     1       2.538   2.576  -0.365  1.00  0.00           C  
HETATM   12  C   UNL     1       3.817   3.176  -0.804  1.00  0.00           C  
HETATM   13  C   UNL     1       5.977   3.083  -1.393  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.182  -1.716  -0.702  1.00  0.00           C  
HETATM   15  C   UNL     1       3.958   4.498  -1.020  1.00  0.00           C  
HETATM   16  C   UNL     1       2.475   1.136  -0.022  1.00  0.00           C  
HETATM   17  CA  UNL     1       3.556  -0.996   0.449  1.00  0.00           C  
HETATM   18  C   UNL     1       4.726  -1.767  -0.167  1.00  0.00           C  
HETATM   19  C   UNL     1       4.624  -1.713  -1.692  1.00  0.00           C  
HETATM   20  C   UNL     1       6.045  -1.134   0.279  1.00  0.00           C  
HETATM   21  C   UNL     1       3.656  -1.049   1.952  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.608  -1.812  -2.170  1.00  0.00           C  
HETATM   23  C   UNL     1     -10.920  -2.598  -2.262  1.00  0.00           C  
HETATM   24  C   UNL     1     -11.985  -1.905  -1.409  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.108  -1.092   0.470  1.00  0.00           C  
HETATM   26  N   UNL     1     -11.530  -1.838  -0.014  1.00  0.00           N  
HETATM   27  N   UNL     1       1.468   3.314  -0.280  1.00  0.00           N  
HETATM   28  N   UNL     1       4.915   2.447  -1.010  1.00  0.00           N  
HETATM   29  N   UNL     1       7.205   2.501  -1.658  1.00  0.00           N  
HETATM   30  N   UNL     1       3.603   0.399   0.006  1.00  0.00           N  
HETATM   31  N   UNL     1       4.679  -3.166   0.278  1.00  0.00           N  
HETATM   32  N   UNL     1      -7.959  -0.917  -0.600  1.00  0.00           N  
HETATM   33  N   UNL     1      -7.392  -1.970   1.391  1.00  0.00           N  
HETATM   34  O   UNL     1      -2.426   1.967   0.862  1.00  0.00           O  
HETATM   35  O   UNL     1      -1.801   5.247   1.724  1.00  0.00           O  
HETATM   36  O   UNL     1      -0.168   3.888   2.333  1.00  0.00           O  
HETATM   37  O   UNL     1       0.222   2.720   0.035  1.00  0.00           O  
HETATM   38  O   UNL     1       1.405   0.619   0.234  1.00  0.00           O  
HETATM   39  O   UNL     1       3.756  -0.027   2.587  1.00  0.00           O  
HETATM   40  O   UNL     1       5.784  -3.935  -0.293  1.00  0.00           O  
HETATM   41  O   UNL     1       4.698  -6.102  -0.654  1.00  0.00           O  
HETATM   42  O   UNL     1       7.029  -5.936  -0.347  1.00  0.00           O  
HETATM   43  O   UNL     1       5.412  -5.431   1.491  1.00  0.00           O  
HETATM   44  S   UNL     1       5.617   4.802  -1.526  1.00  0.00           S  
HETATM   45  S   UNL     1       5.801  -5.399   0.124  1.00  0.00           S  
HETATM   46  H   UNL     1      -5.245  -1.188   2.421  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.193   0.155   2.587  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.178   2.132  -1.075  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.229   0.790  -1.254  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.995   3.630  -0.225  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.105   2.386  -1.136  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.720   4.425  -0.653  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.003  -0.991   1.153  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.472  -0.043  -0.279  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.998  -2.716  -0.311  1.00  0.00           H  
HETATM   56  H   UNL     1       3.185   5.244  -0.902  1.00  0.00           H  
HETATM   57  HA  UNL     1       2.616  -1.447   0.132  1.00  0.00           H  
HETATM   58  H   UNL     1       4.659  -0.675  -2.023  1.00  0.00           H  
HETATM   59  H   UNL     1       5.457  -2.262  -2.132  1.00  0.00           H  
HETATM   60  H   UNL     1       3.684  -2.164  -2.010  1.00  0.00           H  
HETATM   61  H   UNL     1       6.117  -1.173   1.366  1.00  0.00           H  
HETATM   62  H   UNL     1       6.878  -1.683  -0.160  1.00  0.00           H  
HETATM   63  H   UNL     1       6.080  -0.096  -0.051  1.00  0.00           H  
HETATM   64  H   UNL     1       3.638  -2.002   2.461  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.755  -0.811  -2.573  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.835  -2.326  -2.741  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.250  -2.634  -3.300  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.762  -3.613  -1.895  1.00  0.00           H  
HETATM   69  H   UNL     1     -12.151  -0.896  -1.786  1.00  0.00           H  
HETATM   70  H   UNL     1     -12.915  -2.470  -1.461  1.00  0.00           H  
HETATM   71  H   UNL     1     -11.406  -2.763   0.370  1.00  0.00           H  
HETATM   72  H   UNL     1       7.952   3.052  -1.942  1.00  0.00           H  
HETATM   73  H   UNL     1       7.319   1.543  -1.560  1.00  0.00           H  
HETATM   74  H   UNL     1       4.446   0.793  -0.267  1.00  0.00           H  
HETATM   75  H   UNL     1       4.679  -3.226   1.285  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.747  -0.264  -1.286  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.203  -2.499   1.323  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.798   5.616   2.618  1.00  0.00           H  
HETATM   79  H   UNL     1       4.621  -7.047  -0.461  1.00  0.00           H  
CONECT    1    2    2    6   25                                       
CONECT    2    3    1    1   46                                       
CONECT    3    4    4    2   47                                       
CONECT    4   34    3    3    5                                       
CONECT    5    4    6    6   48                                       
CONECT    6    5    5    1   49                                       
CONECT    7    8   34   50   51                                       
CONECT    8    9   37    7   52                                       
CONECT    9   36   36   35    8                                       
CONECT   10   26   14   53   54                                       
CONECT   11   12   27   27   16                                       
CONECT   12   28   15   15   11                                       
CONECT   13   29   44   28   28                                       
CONECT   14   10   32   22   55                                       
CONECT   15   44   12   12   56                                       
CONECT   16   11   38   38   30                                       
CONECT   17   30   21   18   57                                       
CONECT   18   17   20   19   31                                       
CONECT   19   18   58   59   60                                       
CONECT   20   18   61   62   63                                       
CONECT   21   17   39   39   64                                       
CONECT   22   14   23   65   66                                       
CONECT   23   24   22   67   68                                       
CONECT   24   26   23   69   70                                       
CONECT   25    1   32   33   33                                       
CONECT   26   10   24   71                                            
CONECT   27   11   11   37                                            
CONECT   28   13   13   12                                            
CONECT   29   13   72   73                                            
CONECT   30   16   17   74                                            
CONECT   31   18   40   75                                            
CONECT   32   25   14   76                                            
CONECT   33   25   25   77                                            
CONECT   34    7    4                                                 
CONECT   35    9   78                                                 
CONECT   36    9    9                                                 
CONECT   37   27    8                                                 
CONECT   38   16   16                                                 
CONECT   39   21   21                                                 
CONECT   40   31   45                                                 
CONECT   41   45   79                                                 
CONECT   42   45   45                                                 
CONECT   43   45   45                                                 
CONECT   44   13   15                                                 
CONECT   45   40   42   42   43                                       
CONECT   45   43   41                                                 
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   17                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   26                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   35                                                      
CONECT   79   41                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
