COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.425  -0.346   1.825  1.00  0.00           C  
HETATM    2  C   UNL     1       7.575  -0.481   0.463  1.00  0.00           C  
HETATM    3  C   UNL     1       8.201  -1.522  -0.247  1.00  0.00           C  
HETATM    4  C   UNL     1       9.479  -1.938   0.155  1.00  0.00           C  
HETATM    5  C   UNL     1     -11.867  -1.526  -0.901  1.00  0.00           C  
HETATM    6  C   UNL     1     -11.450  -0.257  -0.157  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.714   0.964  -1.041  1.00  0.00           C  
HETATM    8  C   UNL     1     -12.259  -0.134   1.136  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.981  -0.328   0.174  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.050  -0.442  -0.841  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.703  -0.508  -0.541  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.568  -0.274   1.493  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.223  -0.339   1.799  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.285  -0.460   0.782  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.922  -0.527   1.089  1.00  0.00           N  
HETATM   16  C   UNL     1      -5.016   0.026   0.259  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.386   0.677  -0.699  1.00  0.00           O  
HETATM   18  N   UNL     1      -3.698  -0.143   0.490  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.714   0.458  -0.413  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.303   0.117   0.071  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.274   0.745  -0.872  1.00  0.00           C  
HETATM   22  N   UNL     1       1.075   0.545  -0.328  1.00  0.00           N  
HETATM   23  C   UNL     1       1.491  -0.858  -0.455  1.00  0.00           C  
HETATM   24  C   UNL     1       1.059  -1.633   0.791  1.00  0.00           C  
HETATM   25  C   UNL     1       0.835  -1.475  -1.692  1.00  0.00           C  
HETATM   26  C   UNL     1       2.042   1.441  -0.975  1.00  0.00           C  
HETATM   27  C   UNL     1       3.283   1.577  -0.090  1.00  0.00           C  
HETATM   28  O   UNL     1       4.051   0.355  -0.110  1.00  0.00           O  
HETATM   29  C   UNL     1       4.236   2.651  -0.661  1.00  0.00           C  
HETATM   30  O   UNL     1       4.057   3.894   0.022  1.00  0.00           O  
HETATM   31  C   UNL     1       5.647   2.083  -0.391  1.00  0.00           C  
HETATM   32  O   UNL     1       6.383   2.957   0.467  1.00  0.00           O  
HETATM   33  C   UNL     1       5.380   0.733   0.311  1.00  0.00           C  
HETATM   34  N   UNL     1       6.357  -0.269  -0.122  1.00  0.00           N  
HETATM   35  C   UNL     1       6.184  -1.133  -1.172  1.00  0.00           C  
HETATM   36  C   UNL     1       7.267  -1.918  -1.299  1.00  0.00           C  
HETATM   37  N   UNL     1       8.225   0.073   1.486  1.00  0.00           N  
HETATM   38  N   UNL     1      10.048  -1.320   1.186  1.00  0.00           N  
HETATM   39  N   UNL     1      10.135  -2.957  -0.510  1.00  0.00           N  
HETATM   40  H   UNL     1       9.923   0.129   2.657  1.00  0.00           H  
HETATM   41  H   UNL     1     -11.291  -1.613  -1.823  1.00  0.00           H  
HETATM   42  H   UNL     1     -11.679  -2.395  -0.272  1.00  0.00           H  
HETATM   43  H   UNL     1     -12.929  -1.474  -1.141  1.00  0.00           H  
HETATM   44  H   UNL     1     -12.776   1.016  -1.280  1.00  0.00           H  
HETATM   45  H   UNL     1     -11.417   1.868  -0.510  1.00  0.00           H  
HETATM   46  H   UNL     1     -11.138   0.877  -1.962  1.00  0.00           H  
HETATM   47  H   UNL     1     -12.070  -1.004   1.766  1.00  0.00           H  
HETATM   48  H   UNL     1     -11.961   0.770   1.667  1.00  0.00           H  
HETATM   49  H   UNL     1     -13.321  -0.083   0.897  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.376  -0.481  -1.870  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.977  -0.598  -1.335  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.297  -0.180   2.283  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.900  -0.297   2.829  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.628  -0.971   1.900  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.403  -0.662   1.254  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.857   0.066  -1.420  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.843   1.541  -0.424  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.160   0.510   1.078  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.174  -0.965   0.081  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.345   0.273  -1.852  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.473   1.812  -0.968  1.00  0.00           H  
HETATM   62  H   UNL     1       2.576  -0.908  -0.555  1.00  0.00           H  
HETATM   63  H   UNL     1       1.459  -2.647   0.746  1.00  0.00           H  
HETATM   64  H   UNL     1       1.439  -1.132   1.681  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.030  -1.674   0.835  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.249  -1.402  -1.603  1.00  0.00           H  
HETATM   67  H   UNL     1       1.163  -0.938  -2.582  1.00  0.00           H  
HETATM   68  H   UNL     1       1.124  -2.523  -1.772  1.00  0.00           H  
HETATM   69  H   UNL     1       2.329   1.029  -1.942  1.00  0.00           H  
HETATM   70  H   UNL     1       1.589   2.422  -1.118  1.00  0.00           H  
HETATM   71  H   UNL     1       2.995   1.830   0.930  1.00  0.00           H  
HETATM   72  H   UNL     1       4.071   2.778  -1.731  1.00  0.00           H  
HETATM   73  H   UNL     1       4.631   4.604  -0.297  1.00  0.00           H  
HETATM   74  H   UNL     1       6.182   1.929  -1.328  1.00  0.00           H  
HETATM   75  H   UNL     1       6.527   3.840   0.100  1.00  0.00           H  
HETATM   76  H   UNL     1       5.415   0.853   1.394  1.00  0.00           H  
HETATM   77  H   UNL     1       5.308  -1.176  -1.803  1.00  0.00           H  
HETATM   78  H   UNL     1       7.418  -2.692  -2.037  1.00  0.00           H  
HETATM   79  H   UNL     1       9.712  -3.394  -1.266  1.00  0.00           H  
HETATM   80  H   UNL     1      11.019  -3.235  -0.222  1.00  0.00           H  
CONECT    1   37   38   38   40                                       
CONECT    2   34   37   37    3                                       
CONECT    3    2   36    4    4                                       
CONECT    4    3    3   38   39                                       
CONECT    5    6   41   42   43                                       
CONECT    6    5    8    7    9                                       
CONECT    7    6   44   45   46                                       
CONECT    8    6   47   48   49                                       
CONECT    9    6   10   10   12                                       
CONECT   10    9    9   11   50                                       
CONECT   11   10   14   14   51                                       
CONECT   12    9   13   13   52                                       
CONECT   13   12   12   14   53                                       
CONECT   14   11   11   13   15                                       
CONECT   15   14   16   54                                            
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   55                                            
CONECT   19   18   20   56   57                                       
CONECT   20   19   21   58   59                                       
CONECT   21   20   22   60   61                                       
CONECT   22   23   21   26                                            
CONECT   23   24   25   22   62                                       
CONECT   24   23   63   64   65                                       
CONECT   25   23   66   67   68                                       
CONECT   26   22   27   69   70                                       
CONECT   27   26   28   29   71                                       
CONECT   28   27   33                                                 
CONECT   29   27   30   31   72                                       
CONECT   30   29   73                                                 
CONECT   31   33   29   32   74                                       
CONECT   32   31   75                                                 
CONECT   33   28   34   31   76                                       
CONECT   34   33   35    2                                            
CONECT   35   34   36   36   77                                       
CONECT   36   35   35    3   78                                       
CONECT   37    2    2    1                                            
CONECT   38    1    1    4                                            
CONECT   39    4   79   80                                            
CONECT   40    1                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   15                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   39                                                      
CONECT   80   39                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
