COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.405   1.125  -4.184  1.00  0.00           C  
HETATM    2  C   UNL     1       1.778  -0.307  -4.570  1.00  0.00           C  
HETATM    3  C   UNL     1       0.691  -0.892  -5.473  1.00  0.00           C  
HETATM    4  O   UNL     1       1.040  -2.230  -5.833  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.644  -0.895  -4.727  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.017   0.537  -4.342  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.353   0.532  -3.597  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.230  -0.316  -2.330  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.146   0.271  -1.426  1.00  0.00           C  
HETATM   10  C   UNL     1       0.201   0.282  -2.164  1.00  0.00           C  
HETATM   11  C   UNL     1       0.070   1.120  -3.437  1.00  0.00           C  
HETATM   12  C   UNL     1       1.323   0.833  -1.290  1.00  0.00           C  
HETATM   13  C   UNL     1       1.419   0.072   0.043  1.00  0.00           C  
HETATM   14  O   UNL     1       1.729  -1.300  -0.201  1.00  0.00           O  
HETATM   15  C   UNL     1       0.070   0.118   0.729  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.973  -0.582  -0.184  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.190  -0.667   0.742  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.563  -1.073   2.104  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.086  -0.609   2.060  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.386   1.571   0.876  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.302   2.552  -3.047  1.00  0.00           C  
HETATM   22  C   UNL     1       0.205   0.342   3.222  1.00  0.00           C  
HETATM   23  C   UNL     1       1.647   0.841   3.123  1.00  0.00           C  
HETATM   24  C   UNL     1       0.011  -0.397   4.548  1.00  0.00           C  
HETATM   25  C   UNL     1       0.302   0.554   5.710  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.223  -1.335   7.016  1.00  0.00           O  
HETATM   27  C   UNL     1       0.111  -0.174   7.015  1.00  0.00           C  
HETATM   28  O   UNL     1       0.313   0.467   8.177  1.00  0.00           O  
HETATM   29  H   UNL     1       2.180   1.542  -3.541  1.00  0.00           H  
HETATM   30  H   UNL     1       1.315   1.732  -5.085  1.00  0.00           H  
HETATM   31  H   UNL     1       1.868  -0.914  -3.669  1.00  0.00           H  
HETATM   32  H   UNL     1       2.730  -0.304  -5.102  1.00  0.00           H  
HETATM   33  H   UNL     1       0.603  -0.285  -6.375  1.00  0.00           H  
HETATM   34  H   UNL     1       1.885  -2.183  -6.299  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.555  -1.503  -3.827  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.418  -1.312  -5.372  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.105   1.144  -5.242  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.127   0.113  -4.241  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.621   1.553  -3.325  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.963  -1.337  -2.601  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.183  -0.319  -1.800  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.416   1.287  -1.139  1.00  0.00           H  
HETATM   43  H   UNL     1       0.442  -0.744  -2.441  1.00  0.00           H  
HETATM   44  H   UNL     1       2.269   0.740  -1.823  1.00  0.00           H  
HETATM   45  H   UNL     1       1.131   1.886  -1.086  1.00  0.00           H  
HETATM   46  H   UNL     1       2.189   0.520   0.670  1.00  0.00           H  
HETATM   47  H   UNL     1       2.578  -1.317  -0.664  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.631  -1.581  -0.455  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.887  -1.431   0.395  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.685   0.300   0.819  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.612  -2.155   2.230  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.087  -0.577   2.920  1.00  0.00           H  
HETATM   53  H   UNL     1       0.581  -1.470   2.101  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.359   2.060  -0.097  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.403   1.595   1.267  1.00  0.00           H  
HETATM   56  H   UNL     1       0.279   2.093   1.563  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.391   3.162  -3.947  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.253   2.548  -2.515  1.00  0.00           H  
HETATM   59  H   UNL     1       0.472   2.967  -2.403  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.477   1.190   3.176  1.00  0.00           H  
HETATM   61  H   UNL     1       2.330  -0.007   3.169  1.00  0.00           H  
HETATM   62  H   UNL     1       1.786   1.368   2.179  1.00  0.00           H  
HETATM   63  H   UNL     1       1.855   1.519   3.951  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.016  -0.753   4.618  1.00  0.00           H  
HETATM   65  H   UNL     1       0.693  -1.246   4.593  1.00  0.00           H  
HETATM   66  H   UNL     1       1.330   0.909   5.639  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.379   1.403   5.664  1.00  0.00           H  
HETATM   68  H   UNL     1       0.191   0.000   9.015  1.00  0.00           H  
CONECT    1    2   11   29   30                                       
CONECT    2    1    3   31   32                                       
CONECT    3    2    4    5   33                                       
CONECT    4    3   34                                                 
CONECT    5    3    6   35   36                                       
CONECT    6    5    7   11   37                                       
CONECT    7    6    8   38   39                                       
CONECT    8    7    9   40   41                                       
CONECT    9    8   10   16   42                                       
CONECT   10    9   11   12   43                                       
CONECT   11    1    6   10   21                                       
CONECT   12   10   13   44   45                                       
CONECT   13   12   14   15   46                                       
CONECT   14   13   47                                                 
CONECT   15   13   16   19   20                                       
CONECT   16    9   15   17   48                                       
CONECT   17   16   18   49   50                                       
CONECT   18   17   19   51   52                                       
CONECT   19   15   18   22   53                                       
CONECT   20   15   54   55   56                                       
CONECT   21   11   57   58   59                                       
CONECT   22   19   23   24   60                                       
CONECT   23   22   61   62   63                                       
CONECT   24   22   25   64   65                                       
CONECT   25   24   27   66   67                                       
CONECT   26   27   27                                                 
CONECT   27   25   26   26   28                                       
CONECT   28   27   68                                                 
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   28                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
