COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.219  -0.118   6.966  1.00  0.00           C  
HETATM    2  C   UNL     1       0.816  -0.192   5.548  1.00  0.00           C  
HETATM    3  C   UNL     1       1.612  -0.904   4.632  1.00  0.00           C  
HETATM    4  C   UNL     1       1.262  -0.986   3.323  1.00  0.00           C  
HETATM    5  C   UNL     1       0.090  -0.354   2.866  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.720   0.367   3.780  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.342   0.440   5.128  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.163  -0.143  -3.683  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.553  -0.622  -5.057  1.00  0.00           C  
HETATM   10  C   UNL     1       0.420  -0.091  -6.107  1.00  0.00           C  
HETATM   11  C   UNL     1       1.847  -0.412  -5.649  1.00  0.00           C  
HETATM   12  C   UNL     1       2.173   0.461  -4.439  1.00  0.00           C  
HETATM   13  C   UNL     1       1.090   0.348  -3.397  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.964  -0.127  -5.382  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.536  -2.151  -5.081  1.00  0.00           C  
HETATM   16  C   UNL     1       3.504   0.011  -3.835  1.00  0.00           C  
HETATM   17  C   UNL     1       2.291   1.919  -4.888  1.00  0.00           C  
HETATM   18  O   UNL     1       0.535   0.495   7.761  1.00  0.00           O  
HETATM   19  O   UNL     1       2.344  -0.732   7.380  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.290  -0.432   1.519  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.445   0.204   1.099  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.240   0.916   2.012  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.892   0.999   3.322  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.822   0.207  -1.390  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.121  -0.213  -2.682  1.00  0.00           C  
HETATM   26  C   UNL     1       1.392   0.770  -2.107  1.00  0.00           C  
HETATM   27  C   UNL     1       0.450   0.702  -1.106  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.848   0.130  -0.324  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.105  -0.002  -0.638  1.00  0.00           N  
HETATM   30  O   UNL     1      -4.071  -0.203   0.377  1.00  0.00           O  
HETATM   31  H   UNL     1       2.512  -1.392   4.975  1.00  0.00           H  
HETATM   32  H   UNL     1       1.884  -1.536   2.632  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.950   0.987   5.834  1.00  0.00           H  
HETATM   34  H   UNL     1       0.300   0.987  -6.206  1.00  0.00           H  
HETATM   35  H   UNL     1       0.225  -0.572  -7.065  1.00  0.00           H  
HETATM   36  H   UNL     1       2.549  -0.199  -6.455  1.00  0.00           H  
HETATM   37  H   UNL     1       1.915  -1.464  -5.370  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.662  -0.504  -4.635  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.978   0.962  -5.375  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.257  -0.488  -6.368  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.230  -2.534  -4.333  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.837  -2.502  -6.069  1.00  0.00           H  
HETATM   43  H   UNL     1       0.469  -2.507  -4.860  1.00  0.00           H  
HETATM   44  H   UNL     1       3.745   0.639  -2.977  1.00  0.00           H  
HETATM   45  H   UNL     1       3.424  -1.027  -3.514  1.00  0.00           H  
HETATM   46  H   UNL     1       4.292   0.100  -4.583  1.00  0.00           H  
HETATM   47  H   UNL     1       2.533   2.545  -4.029  1.00  0.00           H  
HETATM   48  H   UNL     1       3.080   2.007  -5.635  1.00  0.00           H  
HETATM   49  H   UNL     1       1.344   2.244  -5.320  1.00  0.00           H  
HETATM   50  H   UNL     1       2.608  -0.684   8.309  1.00  0.00           H  
HETATM   51  H   UNL     1       0.315  -0.980   0.813  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.141   1.404   1.668  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.513   1.550   4.012  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.105  -0.597  -2.907  1.00  0.00           H  
HETATM   55  H   UNL     1       2.378   1.154  -1.887  1.00  0.00           H  
HETATM   56  H   UNL     1       0.694   1.030  -0.106  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.929  -0.276  -0.063  1.00  0.00           H  
CONECT    1    2   18   18   19                                       
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4   31                                       
CONECT    4    3    5    5   32                                       
CONECT    5    4    4    6   20                                       
CONECT    6    5    7    7   23                                       
CONECT    7    2    6    6   33                                       
CONECT    8    9   13   13   25                                       
CONECT    9    8   10   14   15                                       
CONECT   10    9   11   34   35                                       
CONECT   11   10   12   36   37                                       
CONECT   12   11   13   16   17                                       
CONECT   13    8    8   12   26                                       
CONECT   14    9   38   39   40                                       
CONECT   15    9   41   42   43                                       
CONECT   16   12   44   45   46                                       
CONECT   17   12   47   48   49                                       
CONECT   18    1    1                                                 
CONECT   19    1   50                                                 
CONECT   20    5   21   21   51                                       
CONECT   21   20   20   22   28                                       
CONECT   22   21   23   23   52                                       
CONECT   23    6   22   22   53                                       
CONECT   24   25   25   27   28                                       
CONECT   25    8   24   24   54                                       
CONECT   26   13   27   27   55                                       
CONECT   27   24   26   26   56                                       
CONECT   28   21   24   29   29                                       
CONECT   29   28   28   30                                            
CONECT   30   29   57                                                 
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    7                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   30                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
