COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.474  -0.308  -1.006  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.393  -1.061   0.324  1.00  0.00           C  
HETATM    3  C   UNL     1       2.244  -1.627   0.228  1.00  0.00           C  
HETATM    4  C   UNL     1       4.930  -1.183   0.727  1.00  0.00           C  
HETATM    5  C   UNL     1       6.392  -0.942   0.999  1.00  0.00           C  
HETATM    6  C   UNL     1       8.837   1.239  -0.856  1.00  0.00           C  
HETATM    7  C   UNL     1       8.642   3.095   0.808  1.00  0.00           C  
HETATM    8  C   UNL     1       6.675   2.457  -0.597  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.038   3.418   1.793  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.043   2.313   1.432  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.166   1.168   2.439  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.332   1.221  -0.666  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.044   1.100  -0.154  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.072   0.502  -0.951  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.926  -0.296  -1.492  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.748  -0.373   0.786  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.321  -0.388   1.339  1.00  0.00           C  
HETATM   18  C   UNL     1       0.045  -1.015   0.845  1.00  0.00           C  
HETATM   19  C   UNL     1       0.548  -3.269   0.151  1.00  0.00           C  
HETATM   20  C   UNL     1       3.210  -2.337  -0.475  1.00  0.00           C  
HETATM   21  C   UNL     1       4.549  -2.113  -0.223  1.00  0.00           C  
HETATM   22  C   UNL     1       8.349   0.225   0.180  1.00  0.00           C  
HETATM   23  C   UNL     1       8.199   2.601  -0.571  1.00  0.00           C  
HETATM   24  C   UNL     1       8.637   3.605  -1.639  1.00  0.00           C  
HETATM   25  C   UNL     1       6.249   1.407   0.432  1.00  0.00           C  
HETATM   26  C   UNL     1       3.971  -0.471   1.424  1.00  0.00           C  
HETATM   27  C   UNL     1       2.630  -0.690   1.178  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.938  -3.459   0.029  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.639   0.204  -2.614  1.00  0.00           C  
HETATM   30  N   UNL     1      -8.335   1.813   0.086  1.00  0.00           N  
HETATM   31  N   UNL     1      -3.774   0.358  -0.487  1.00  0.00           N  
HETATM   32  N   UNL     1       0.889  -1.851  -0.025  1.00  0.00           N  
HETATM   33  N   UNL     1       6.885   0.123   0.115  1.00  0.00           N  
HETATM   34  N   UNL     1      -1.807  -2.448   0.127  1.00  0.00           N  
HETATM   35  N   UNL     1      -5.408   0.071  -2.165  1.00  0.00           N  
HETATM   36  N   UNL     1      -7.587   0.763  -1.890  1.00  0.00           N  
HETATM   37  O   UNL     1      -1.366  -4.576  -0.166  1.00  0.00           O  
HETATM   38  H   UNL     1      -1.129   0.717  -0.866  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.847  -0.806  -1.746  1.00  0.00           H  
HETATM   40  H   UNL     1       6.523  -0.641   2.038  1.00  0.00           H  
HETATM   41  H   UNL     1       6.952  -1.858   0.812  1.00  0.00           H  
HETATM   42  H   UNL     1       9.922   1.326  -0.797  1.00  0.00           H  
HETATM   43  H   UNL     1       8.553   0.906  -1.855  1.00  0.00           H  
HETATM   44  H   UNL     1       9.728   3.192   0.827  1.00  0.00           H  
HETATM   45  H   UNL     1       8.187   4.064   1.010  1.00  0.00           H  
HETATM   46  H   UNL     1       8.328   2.380   1.568  1.00  0.00           H  
HETATM   47  H   UNL     1       6.214   3.414  -0.352  1.00  0.00           H  
HETATM   48  H   UNL     1       6.356   2.144  -1.591  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.820   3.790   2.794  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.950   4.234   1.076  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.051   3.018   1.766  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.030   2.713   1.459  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.458   0.380   2.182  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.949   1.539   3.441  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.180   0.767   2.412  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.805   1.461   0.835  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.990   0.251  -2.432  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.266  -1.320  -1.644  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.085  -1.397   0.624  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.409   0.118   1.500  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.300  -0.943   2.277  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.988   0.635   1.514  1.00  0.00           H  
HETATM   63  H   UNL     1       0.408   0.013   0.827  1.00  0.00           H  
HETATM   64  H   UNL     1       0.078  -1.396   1.865  1.00  0.00           H  
HETATM   65  H   UNL     1       0.876  -3.601   1.136  1.00  0.00           H  
HETATM   66  H   UNL     1       1.052  -3.858  -0.615  1.00  0.00           H  
HETATM   67  H   UNL     1       2.913  -3.064  -1.217  1.00  0.00           H  
HETATM   68  H   UNL     1       5.300  -2.665  -0.770  1.00  0.00           H  
HETATM   69  H   UNL     1       8.790  -0.750  -0.029  1.00  0.00           H  
HETATM   70  H   UNL     1       8.646   0.552   1.177  1.00  0.00           H  
HETATM   71  H   UNL     1       8.319   3.254  -2.620  1.00  0.00           H  
HETATM   72  H   UNL     1       8.182   4.575  -1.434  1.00  0.00           H  
HETATM   73  H   UNL     1       9.723   3.703  -1.622  1.00  0.00           H  
HETATM   74  H   UNL     1       6.556   1.729   1.427  1.00  0.00           H  
HETATM   75  H   UNL     1       5.165   1.292   0.406  1.00  0.00           H  
HETATM   76  H   UNL     1       4.272   0.254   2.166  1.00  0.00           H  
HETATM   77  H   UNL     1       1.882  -0.133   1.722  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.879  -0.157  -3.603  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.230   1.897  -0.278  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.755  -2.644   0.065  1.00  0.00           H  
CONECT    1   15    2   38   39                                       
CONECT    2    1   18   34   17                                       
CONECT    3   20   20   27   32                                       
CONECT    4    5   21   21   26                                       
CONECT    5   33    4   40   41                                       
CONECT    6   22   23   42   43                                       
CONECT    7   23   44   45   46                                       
CONECT    8   25   23   47   48                                       
CONECT    9   10   49   50   51                                       
CONECT   10    9   11   30   52                                       
CONECT   11   10   53   54   55                                       
CONECT   12   30   13   13   36                                       
CONECT   13   12   12   14   56                                       
CONECT   14   13   31   35   35                                       
CONECT   15    1   31   57   58                                       
CONECT   16   31   17   59   60                                       
CONECT   17    2   16   61   62                                       
CONECT   18   32    2   63   64                                       
CONECT   19   32   28   65   66                                       
CONECT   20   21    3    3   67                                       
CONECT   21    4    4   20   68                                       
CONECT   22    6   33   69   70                                       
CONECT   23    6    7    8   24                                       
CONECT   24   23   71   72   73                                       
CONECT   25   33    8   74   75                                       
CONECT   26    4   27   27   76                                       
CONECT   27   26   26    3   77                                       
CONECT   28   19   37   37   34                                       
CONECT   29   36   36   35   78                                       
CONECT   30   10   12   79                                            
CONECT   31   15   14   16                                            
CONECT   32    3   19   18                                            
CONECT   33   22    5   25                                            
CONECT   34   28    2   80                                            
CONECT   35   14   14   29                                            
CONECT   36   12   29   29                                            
CONECT   37   28   28                                                 
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   13                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   34                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
