COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.740  -1.112   0.440  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.402   0.237   0.293  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.117   0.610   0.051  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.267   2.908   1.281  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.433   1.314  -1.792  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.435   2.097  -0.954  1.00  0.00           C  
HETATM    7  C   UNL     1       1.028   2.385  -1.173  1.00  0.00           C  
HETATM    8  C   UNL     1       1.840   1.173  -0.796  1.00  0.00           C  
HETATM    9  C   UNL     1       3.944   0.109  -0.474  1.00  0.00           C  
HETATM   10  C   UNL     1       3.455  -1.182  -0.616  1.00  0.00           C  
HETATM   11  C   UNL     1       4.211  -2.257  -0.190  1.00  0.00           C  
HETATM   12  C   UNL     1       3.681  -3.659  -0.344  1.00  0.00           C  
HETATM   13  C   UNL     1       5.453  -2.047   0.379  1.00  0.00           C  
HETATM   14  C   UNL     1       5.943  -0.762   0.523  1.00  0.00           C  
HETATM   15  C   UNL     1      10.673  -0.377  -0.657  1.00  0.00           C  
HETATM   16  C   UNL     1      12.048  -0.150  -0.027  1.00  0.00           C  
HETATM   17  C   UNL     1       5.193   0.317   0.098  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.012   2.377   0.276  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.363   2.108   0.467  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.445  -1.735   0.093  1.00  0.00           C  
HETATM   21  O   UNL     1       9.936  -0.194   1.577  1.00  0.00           O  
HETATM   22  C   UNL     1       9.619  -0.366   0.420  1.00  0.00           C  
HETATM   23  N   UNL     1       8.323  -0.549   0.097  1.00  0.00           N  
HETATM   24  C   UNL     1       7.298  -0.538   1.144  1.00  0.00           C  
HETATM   25  N   UNL     1       3.183   1.200  -0.910  1.00  0.00           N  
HETATM   26  O   UNL     1       1.286   0.174  -0.390  1.00  0.00           O  
HETATM   27  N   UNL     1      -1.151   1.583  -1.935  1.00  0.00           N  
HETATM   28  C   UNL     1      -0.936   3.167   2.517  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.083   1.566  -0.592  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.406   1.286  -0.453  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.770  -0.011  -0.305  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.836  -1.029  -0.396  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.239  -2.349  -0.240  1.00  0.00           C  
HETATM   34  N   UNL     1      -5.491  -2.668  -0.008  1.00  0.00           N  
HETATM   35  C   UNL     1      -6.114  -0.366  -0.054  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.780  -2.093   0.342  1.00  0.00           C  
HETATM   37  O   UNL     1     -10.030  -1.458   0.687  1.00  0.00           O  
HETATM   38  C   UNL     1     -10.980  -0.394   0.783  1.00  0.00           C  
HETATM   39  H   UNL     1      -9.171   0.991   0.373  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.868   1.655  -0.061  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.986   0.897  -2.621  1.00  0.00           H  
HETATM   42  H   UNL     1       1.199   2.625  -2.223  1.00  0.00           H  
HETATM   43  H   UNL     1       1.329   3.231  -0.554  1.00  0.00           H  
HETATM   44  H   UNL     1       2.484  -1.347  -1.060  1.00  0.00           H  
HETATM   45  H   UNL     1       3.117  -3.935   0.547  1.00  0.00           H  
HETATM   46  H   UNL     1       3.028  -3.706  -1.215  1.00  0.00           H  
HETATM   47  H   UNL     1       4.513  -4.350  -0.476  1.00  0.00           H  
HETATM   48  H   UNL     1       6.043  -2.889   0.712  1.00  0.00           H  
HETATM   49  H   UNL     1      10.466   0.416  -1.375  1.00  0.00           H  
HETATM   50  H   UNL     1      10.661  -1.341  -1.167  1.00  0.00           H  
HETATM   51  H   UNL     1      12.810  -0.158  -0.806  1.00  0.00           H  
HETATM   52  H   UNL     1      12.059   0.813   0.482  1.00  0.00           H  
HETATM   53  H   UNL     1      12.254  -0.944   0.691  1.00  0.00           H  
HETATM   54  H   UNL     1       5.578   1.320   0.206  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.840   2.315   1.413  1.00  0.00           H  
HETATM   56  H   UNL     1       8.069  -0.687  -0.829  1.00  0.00           H  
HETATM   57  H   UNL     1       7.310   0.426   1.653  1.00  0.00           H  
HETATM   58  H   UNL     1       7.505  -1.331   1.862  1.00  0.00           H  
HETATM   59  H   UNL     1       3.622   1.974  -1.295  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.341   2.236   2.913  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.229   3.588   3.232  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.748   3.874   2.350  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.799  -0.797  -0.587  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.501  -3.135  -0.313  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.051  -3.132   0.458  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.969  -0.807   0.982  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.695   0.275   1.595  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.000   0.161  -0.155  1.00  0.00           H  
CONECT    1   37   36   36    2                                       
CONECT    2    1    3    3   39                                       
CONECT    3    2    2   35   40                                       
CONECT    4   18   28                                                 
CONECT    5   27   27   29   41                                       
CONECT    6   27    7   18   18                                       
CONECT    7    8    6   42   43                                       
CONECT    8   26   26   25    7                                       
CONECT    9   10   10   17   25                                       
CONECT   10   11    9    9   44                                       
CONECT   11   12   13   13   10                                       
CONECT   12   11   45   46   47                                       
CONECT   13   11   11   14   48                                       
CONECT   14   13   24   17   17                                       
CONECT   15   22   16   49   50                                       
CONECT   16   15   51   52   53                                       
CONECT   17   14   14    9   54                                       
CONECT   18    6    6   19    4                                       
CONECT   19   29   29   18   55                                       
CONECT   20   36   34   34   35                                       
CONECT   21   22   22                                                 
CONECT   22   23   21   21   15                                       
CONECT   23   24   22   56                                            
CONECT   24   14   23   57   58                                       
CONECT   25    9    8   59                                            
CONECT   26    8    8                                                 
CONECT   27    5    5    6                                            
CONECT   28    4   60   61   62                                       
CONECT   29    5   30   19   19                                       
CONECT   30   31   29                                                 
CONECT   31   35   35   32   30                                       
CONECT   32   33   33   31   63                                       
CONECT   33   34   32   32   64                                       
CONECT   34   20   20   33                                            
CONECT   35   20    3   31   31                                       
CONECT   36    1    1   20   65                                       
CONECT   37   38    1                                                 
CONECT   38   37   66   67   68                                       
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44   10                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   19                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   36                                                      
CONECT   66   38                                                      
CONECT   67   38                                                      
CONECT   68   38                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
