COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.694  -1.892   0.331  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.532  -0.513   0.495  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.321   0.074   0.294  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.725   2.923   1.742  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.902   1.802  -1.526  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.957   2.632  -0.613  1.00  0.00           C  
HETATM    7  C   UNL     1       0.442   3.155  -0.820  1.00  0.00           C  
HETATM    8  C   UNL     1       1.418   2.009  -0.776  1.00  0.00           C  
HETATM    9  C   UNL     1       3.652   1.189  -0.805  1.00  0.00           C  
HETATM   10  C   UNL     1       3.308  -0.088  -1.232  1.00  0.00           C  
HETATM   11  C   UNL     1       4.206  -1.127  -1.110  1.00  0.00           C  
HETATM   12  C   UNL     1       5.464  -0.891  -0.555  1.00  0.00           C  
HETATM   13  C   UNL     1       7.416  -1.743   0.366  1.00  0.00           C  
HETATM   14  C   UNL     1       7.174   0.621   0.468  1.00  0.00           C  
HETATM   15  C   UNL     1       5.806   0.398  -0.128  1.00  0.00           C  
HETATM   16  C   UNL     1       4.906   1.429  -0.252  1.00  0.00           C  
HETATM   17  C   UNL     1       8.369  -2.806   0.483  1.00  0.00           C  
HETATM   18  C   UNL     1       9.150  -3.677   0.578  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.472   2.543   0.672  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.909  -0.964  -0.666  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.632  -2.687  -0.037  1.00  0.00           C  
HETATM   22  O   UNL     1       1.018   0.878  -0.595  1.00  0.00           O  
HETATM   23  N   UNL     1       2.736   2.239  -0.938  1.00  0.00           N  
HETATM   24  C   UNL     1       7.102   1.719   1.531  1.00  0.00           C  
HETATM   25  C   UNL     1       8.154   1.031  -0.633  1.00  0.00           C  
HETATM   26  O   UNL     1       7.608  -0.605   1.068  1.00  0.00           O  
HETATM   27  C   UNL     1      10.130  -4.769   0.698  1.00  0.00           C  
HETATM   28  N   UNL     1       6.378  -1.898  -0.419  1.00  0.00           N  
HETATM   29  N   UNL     1      -1.675   2.266  -1.656  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.328   2.800   3.032  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.763   2.059   0.851  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.488   1.683  -0.274  1.00  0.00           C  
HETATM   33  O   UNL     1      -4.754   1.205  -0.149  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.948  -0.129  -0.298  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.138  -2.326  -0.812  1.00  0.00           C  
HETATM   36  N   UNL     1      -5.322  -2.855  -0.608  1.00  0.00           N  
HETATM   37  C   UNL     1      -6.372  -2.106  -0.250  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.219  -0.708  -0.081  1.00  0.00           C  
HETATM   39  O   UNL     1      -9.912  -2.454   0.543  1.00  0.00           O  
HETATM   40  C   UNL     1     -10.973  -1.578   0.928  1.00  0.00           C  
HETATM   41  H   UNL     1      -9.378   0.093   0.783  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.208   1.141   0.423  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.460   1.517  -2.406  1.00  0.00           H  
HETATM   44  H   UNL     1       0.505   3.650  -1.789  1.00  0.00           H  
HETATM   45  H   UNL     1       0.683   3.869  -0.031  1.00  0.00           H  
HETATM   46  H   UNL     1       2.333  -0.268  -1.661  1.00  0.00           H  
HETATM   47  H   UNL     1       3.937  -2.119  -1.441  1.00  0.00           H  
HETATM   48  H   UNL     1       5.171   2.422   0.079  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.923  -0.558  -0.841  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.768  -3.751  -0.160  1.00  0.00           H  
HETATM   51  H   UNL     1       3.050   3.133  -1.146  1.00  0.00           H  
HETATM   52  H   UNL     1       8.089   1.862   1.972  1.00  0.00           H  
HETATM   53  H   UNL     1       6.772   2.650   1.070  1.00  0.00           H  
HETATM   54  H   UNL     1       6.396   1.427   2.307  1.00  0.00           H  
HETATM   55  H   UNL     1       8.194   0.251  -1.393  1.00  0.00           H  
HETATM   56  H   UNL     1       7.820   1.964  -1.087  1.00  0.00           H  
HETATM   57  H   UNL     1       9.146   1.171  -0.203  1.00  0.00           H  
HETATM   58  H   UNL     1       9.821  -5.604   0.069  1.00  0.00           H  
HETATM   59  H   UNL     1      11.109  -4.415   0.377  1.00  0.00           H  
HETATM   60  H   UNL     1      10.184  -5.097   1.737  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.589   1.757   3.213  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.626   3.136   3.795  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.229   3.412   3.071  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.191   1.978   1.839  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.319  -2.969  -1.100  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.713  -1.082   1.863  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.127  -0.830   0.151  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.889  -2.154   1.065  1.00  0.00           H  
CONECT    1   39    2    2   21                                       
CONECT    2    1    1    3   41                                       
CONECT    3    2   38   38   42                                       
CONECT    4   19   30                                                 
CONECT    5   32   32   29   43                                       
CONECT    6   29   29   19    7                                       
CONECT    7    6    8   44   45                                       
CONECT    8   22   22    7   23                                       
CONECT    9   10   23   16   16                                       
CONECT   10   11   11    9   46                                       
CONECT   11   10   10   12   47                                       
CONECT   12   11   28   15   15                                       
CONECT   13   28   28   17   26                                       
CONECT   14   24   15   26   25                                       
CONECT   15   12   12   16   14                                       
CONECT   16    9    9   15   48                                       
CONECT   17   13   18   18   18                                       
CONECT   18   17   17   17   27                                       
CONECT   19   31   31    6    4                                       
CONECT   20   34   34   35   49                                       
CONECT   21    1   37   37   50                                       
CONECT   22    8    8                                                 
CONECT   23    8    9   51                                            
CONECT   24   14   52   53   54                                       
CONECT   25   14   55   56   57                                       
CONECT   26   13   14                                                 
CONECT   27   18   58   59   60                                       
CONECT   28   12   13   13                                            
CONECT   29    5    6    6                                            
CONECT   30    4   61   62   63                                       
CONECT   31   32   19   19   64                                       
CONECT   32   33    5    5   31                                       
CONECT   33   34   32                                                 
CONECT   34   38   33   20   20                                       
CONECT   35   36   36   20   65                                       
CONECT   36   37   35   35                                            
CONECT   37   21   21   38   36                                       
CONECT   38    3    3   37   34                                       
CONECT   39   40    1                                                 
CONECT   40   39   66   67   68                                       
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   16                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   35                                                      
CONECT   66   40                                                      
CONECT   67   40                                                      
CONECT   68   40                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
