COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.172   1.028  -1.556  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.262   0.001   0.008  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.377  -0.928  -0.706  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.959  -1.324  -1.996  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.896   1.285   0.226  1.00  0.00           C  
HETATM    6  N   UNL     1      -6.438   0.207   1.113  1.00  0.00           N  
HETATM    7  C   UNL     1      -7.577  -0.504   1.709  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.358  -0.218   0.466  1.00  0.00           C  
HETATM    9  N   UNL     1       0.103  -0.255   0.308  1.00  0.00           N  
HETATM   10  C   UNL     1       0.891  -1.370   0.228  1.00  0.00           C  
HETATM   11  C   UNL     1       0.582  -2.723   0.205  1.00  0.00           C  
HETATM   12  C   UNL     1       1.658  -3.616   0.131  1.00  0.00           C  
HETATM   13  C   UNL     1       1.385  -5.064   0.097  1.00  0.00           C  
HETATM   14  O   UNL     1       2.406  -5.941   0.026  1.00  0.00           O  
HETATM   15  O   UNL     1       0.240  -5.468   0.134  1.00  0.00           O  
HETATM   16  C   UNL     1       2.986  -3.173   0.087  1.00  0.00           C  
HETATM   17  C   UNL     1       3.306  -1.844   0.108  1.00  0.00           C  
HETATM   18  C   UNL     1       2.241  -0.930   0.173  1.00  0.00           C  
HETATM   19  C   UNL     1       2.215   0.474   0.187  1.00  0.00           C  
HETATM   20  C   UNL     1       3.412   1.388   0.147  1.00  0.00           C  
HETATM   21  C   UNL     1       4.305   1.112   1.358  1.00  0.00           C  
HETATM   22  C   UNL     1       5.521   2.040   1.317  1.00  0.00           C  
HETATM   23  C   UNL     1       6.312   1.788   0.033  1.00  0.00           C  
HETATM   24  C   UNL     1       5.419   2.063  -1.179  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.040  -0.347  -0.889  1.00  0.00           C  
HETATM   26  C   UNL     1       4.204   1.135  -1.138  1.00  0.00           C  
HETATM   27  C   UNL     1       0.911   0.858   0.244  1.00  0.00           C  
HETATM   28  C   UNL     1       0.401   2.242   0.197  1.00  0.00           C  
HETATM   29  C   UNL     1       0.844   3.206   1.100  1.00  0.00           C  
HETATM   30  C   UNL     1       0.320   4.483   1.046  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.642   4.808   0.106  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.081   3.862  -0.804  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.553   2.588  -0.772  1.00  0.00           C  
HETATM   34  O   UNL     1      -0.896   1.649  -1.707  1.00  0.00           O  
HETATM   35  C   UNL     1      -5.553  -0.722   0.398  1.00  0.00           C  
HETATM   36  H   UNL     1      -2.629   0.907  -2.538  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.809   1.664  -0.941  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.446  -1.001  -1.527  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.762   0.362   0.906  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.500   0.846  -0.639  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.053  -1.082  -0.501  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.314  -1.567   1.045  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.209  -0.432  -2.571  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.238  -1.925  -2.551  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.862  -1.909  -1.822  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.492   1.997   0.796  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.033   1.795  -0.202  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.503   0.863  -0.576  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.149  -0.997   0.923  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.211  -1.250   2.414  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.216   0.208   2.231  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.672  -1.040   1.108  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.647   0.727   0.927  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.440  -3.070   0.242  1.00  0.00           H  
HETATM   55  H   UNL     1       3.780  -3.903   0.036  1.00  0.00           H  
HETATM   56  H   UNL     1       2.178  -6.880   0.007  1.00  0.00           H  
HETATM   57  H   UNL     1       4.333  -1.511   0.075  1.00  0.00           H  
HETATM   58  H   UNL     1       3.078   2.425   0.170  1.00  0.00           H  
HETATM   59  H   UNL     1       3.741   1.292   2.274  1.00  0.00           H  
HETATM   60  H   UNL     1       4.639   0.075   1.335  1.00  0.00           H  
HETATM   61  H   UNL     1       4.537   0.098  -1.161  1.00  0.00           H  
HETATM   62  H   UNL     1       3.567   1.332  -2.001  1.00  0.00           H  
HETATM   63  H   UNL     1       5.187   3.077   1.341  1.00  0.00           H  
HETATM   64  H   UNL     1       6.157   1.844   2.181  1.00  0.00           H  
HETATM   65  H   UNL     1       7.178   2.449   0.003  1.00  0.00           H  
HETATM   66  H   UNL     1       6.646   0.750   0.009  1.00  0.00           H  
HETATM   67  H   UNL     1       5.085   3.101  -1.156  1.00  0.00           H  
HETATM   68  H   UNL     1       5.983   1.883  -2.094  1.00  0.00           H  
HETATM   69  H   UNL     1       1.592   2.957   1.837  1.00  0.00           H  
HETATM   70  H   UNL     1       0.663   5.232   1.743  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.054   5.807   0.082  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.833   4.119  -1.536  1.00  0.00           H  
CONECT    1   25   34   36   37                                       
CONECT    2    3   35   39   40                                       
CONECT    3    2    4   25                                            
CONECT    4    3   43   44   45                                       
CONECT    5    6   46   47   48                                       
CONECT    6    5    7   35                                            
CONECT    7    6   49   50   51                                       
CONECT    8    9   25   52   53                                       
CONECT    9    8   10   27                                            
CONECT   10    9   11   18   18                                       
CONECT   11   10   12   12   54                                       
CONECT   12   11   11   13   16                                       
CONECT   13   12   14   15   15                                       
CONECT   14   13   56                                                 
CONECT   15   13   13                                                 
CONECT   16   12   17   17   55                                       
CONECT   17   16   16   18   57                                       
CONECT   18   10   10   17   19                                       
CONECT   19   18   20   27   27                                       
CONECT   20   19   21   26   58                                       
CONECT   21   20   22   59   60                                       
CONECT   22   21   23   63   64                                       
CONECT   23   22   24   65   66                                       
CONECT   24   23   26   67   68                                       
CONECT   25    1    3    8   38                                       
CONECT   26   20   24   61   62                                       
CONECT   27    9   19   19   28                                       
CONECT   28   27   29   33   33                                       
CONECT   29   28   30   30   69                                       
CONECT   30   29   29   31   70                                       
CONECT   31   30   32   32   71                                       
CONECT   32   31   31   33   72                                       
CONECT   33   28   28   32   34                                       
CONECT   34    1   33                                                 
CONECT   35    2    6   41   42                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38   25                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41   35                                                      
CONECT   42   35                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54   11                                                      
CONECT   55   16                                                      
CONECT   56   14                                                      
CONECT   57   17                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
