COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.417   1.549  -0.622  1.00  0.00           C  
HETATM    2  C   UNL     1       6.343   2.451   0.152  1.00  0.00           C  
HETATM    3  C   UNL     1       8.198   3.875  -0.029  1.00  0.00           C  
HETATM    4  C   UNL     1       6.982   4.815   0.114  1.00  0.00           C  
HETATM    5  C   UNL     1       5.762   3.879   0.233  1.00  0.00           C  
HETATM    6  C   UNL     1       2.039   0.070  -0.090  1.00  0.00           C  
HETATM    7  C   UNL     1       1.534  -1.314  -0.568  1.00  0.00           C  
HETATM    8  C   UNL     1       3.922  -1.314  -0.724  1.00  0.00           C  
HETATM    9  C   UNL     1       2.742  -3.514  -0.480  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.757  -1.957   1.280  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.093  -1.314   1.013  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.435  -0.142   1.664  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.656   0.453   1.425  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.861   0.980   0.061  1.00  0.00           C  
HETATM   15  C   UNL     1     -10.123   2.068  -0.390  1.00  0.00           C  
HETATM   16  C   UNL     1     -12.358   2.005  -1.650  1.00  0.00           C  
HETATM   17  N   UNL     1       7.632   2.612  -0.569  1.00  0.00           N  
HETATM   18  O   UNL     1       5.652   1.292  -1.784  1.00  0.00           O  
HETATM   19  N   UNL     1       4.330   1.024  -0.022  1.00  0.00           N  
HETATM   20  C   UNL     1       3.430   0.147  -0.775  1.00  0.00           C  
HETATM   21  N   UNL     1       2.734  -2.170  -0.582  1.00  0.00           N  
HETATM   22  O   UNL     1       1.696  -4.127  -0.465  1.00  0.00           O  
HETATM   23  C   UNL     1       4.051  -4.254  -0.385  1.00  0.00           C  
HETATM   24  C   UNL     1       4.502  -4.307   1.076  1.00  0.00           C  
HETATM   25  C   UNL     1       3.871  -5.679  -0.914  1.00  0.00           C  
HETATM   26  C   UNL     1       0.512  -1.860   0.396  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.763  -1.426   0.343  1.00  0.00           N  
HETATM   28  O   UNL     1       0.837  -2.690   1.219  1.00  0.00           O  
HETATM   29  C   UNL     1      -5.549  -0.131   0.522  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.196  -1.315  -0.133  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.969  -1.895   0.113  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.819   0.479   0.269  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.082   1.568  -0.182  1.00  0.00           C  
HETATM   34  C   UNL     1     -11.429   2.696  -0.650  1.00  0.00           C  
HETATM   35  C   UNL     1     -12.677   1.963  -0.154  1.00  0.00           C  
HETATM   36  O   UNL     1       7.109   5.616   1.291  1.00  0.00           O  
HETATM   37  H   UNL     1       6.513   2.052   1.152  1.00  0.00           H  
HETATM   38  H   UNL     1       8.923   4.295  -0.725  1.00  0.00           H  
HETATM   39  H   UNL     1       8.660   3.701   0.943  1.00  0.00           H  
HETATM   40  H   UNL     1       6.889   5.451  -0.767  1.00  0.00           H  
HETATM   41  H   UNL     1       5.069   4.053  -0.590  1.00  0.00           H  
HETATM   42  H   UNL     1       5.261   4.029   1.189  1.00  0.00           H  
HETATM   43  H   UNL     1       1.385   0.868  -0.442  1.00  0.00           H  
HETATM   44  H   UNL     1       2.136   0.098   0.995  1.00  0.00           H  
HETATM   45  H   UNL     1       1.109  -1.238  -1.568  1.00  0.00           H  
HETATM   46  H   UNL     1       4.447  -1.561  -1.647  1.00  0.00           H  
HETATM   47  H   UNL     1       4.585  -1.455   0.129  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.446  -1.738   2.302  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.840  -3.036   1.148  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.744   0.308   2.362  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.923   1.367   1.935  1.00  0.00           H  
HETATM   52  H   UNL     1     -12.982   2.640  -2.280  1.00  0.00           H  
HETATM   53  H   UNL     1     -12.003   1.086  -2.115  1.00  0.00           H  
HETATM   54  H   UNL     1       8.248   1.833  -0.388  1.00  0.00           H  
HETATM   55  H   UNL     1       4.145   1.226   0.908  1.00  0.00           H  
HETATM   56  H   UNL     1       3.336   0.487  -1.806  1.00  0.00           H  
HETATM   57  H   UNL     1       4.805  -3.739  -0.980  1.00  0.00           H  
HETATM   58  H   UNL     1       5.388  -4.936   1.161  1.00  0.00           H  
HETATM   59  H   UNL     1       4.738  -3.299   1.420  1.00  0.00           H  
HETATM   60  H   UNL     1       3.702  -4.722   1.689  1.00  0.00           H  
HETATM   61  H   UNL     1       3.549  -5.642  -1.955  1.00  0.00           H  
HETATM   62  H   UNL     1       4.817  -6.215  -0.845  1.00  0.00           H  
HETATM   63  H   UNL     1       3.117  -6.195  -0.319  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.023  -0.762  -0.315  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.881  -1.772  -0.832  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.693  -2.807  -0.395  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.441   3.786  -0.622  1.00  0.00           H  
HETATM   68  H   UNL     1     -13.510   2.570   0.200  1.00  0.00           H  
HETATM   69  H   UNL     1     -12.531   1.016   0.365  1.00  0.00           H  
HETATM   70  H   UNL     1       7.885   6.193   1.292  1.00  0.00           H  
CONECT    1    2   18   18   19                                       
CONECT    2   17    1    5   37                                       
CONECT    3   17    4   38   39                                       
CONECT    4    3    5   36   40                                       
CONECT    5    2    4   41   42                                       
CONECT    6   20    7   43   44                                       
CONECT    7    6   21   26   45                                       
CONECT    8   20   21   46   47                                       
CONECT    9   21   22   22   23                                       
CONECT   10   27   11   48   49                                       
CONECT   11   10   12   12   31                                       
CONECT   12   11   11   13   50                                       
CONECT   13   12   29   29   51                                       
CONECT   14   32   32   32   33                                       
CONECT   15   33   33   33   34                                       
CONECT   16   34   35   52   53                                       
CONECT   17    2    3   54                                            
CONECT   18    1    1                                                 
CONECT   19    1   20   55                                            
CONECT   20   19    8    6   56                                       
CONECT   21    8    7    9                                            
CONECT   22    9    9                                                 
CONECT   23    9   24   25   57                                       
CONECT   24   23   58   59   60                                       
CONECT   25   23   61   62   63                                       
CONECT   26   28   28    7   27                                       
CONECT   27   26   10   64                                            
CONECT   28   26   26                                                 
CONECT   29   13   13   30   32                                       
CONECT   30   31   31   29   65                                       
CONECT   31   11   30   30   66                                       
CONECT   32   29   14   14   14                                       
CONECT   33   14   15   15   15                                       
CONECT   34   15   16   35   67                                       
CONECT   35   34   16   68   69                                       
CONECT   36    4   70                                                 
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   27                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
