COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.896   0.936  -0.414  1.00  0.00           C  
HETATM    2  C   UNL     1       9.657   0.440  -1.190  1.00  0.00           C  
HETATM    3  C   UNL     1       9.302  -0.357   0.067  1.00  0.00           C  
HETATM    4  C   UNL     1       7.829  -0.216   0.353  1.00  0.00           C  
HETATM    5  C   UNL     1       6.931  -1.115  -0.190  1.00  0.00           C  
HETATM    6  C   UNL     1       5.580  -0.986   0.071  1.00  0.00           C  
HETATM    7  C   UNL     1       5.127   0.043   0.875  1.00  0.00           C  
HETATM    8  C   UNL     1       6.025   0.943   1.418  1.00  0.00           C  
HETATM    9  C   UNL     1       7.377   0.810   1.162  1.00  0.00           C  
HETATM   10  C   UNL     1       3.653   0.189   1.155  1.00  0.00           C  
HETATM   11  C   UNL     1       2.899   0.381  -0.164  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.174  -0.838  -0.427  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.672  -0.850  -0.259  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.891   0.599   0.049  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.833   2.644   0.600  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.105   2.225   0.268  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.277   0.920  -0.193  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.148   0.082  -0.308  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.588   0.374  -0.573  1.00  0.00           C  
HETATM   20  C   UNL     1       1.629  -0.946   2.076  1.00  0.00           C  
HETATM   21  C   UNL     1       3.137  -1.074   1.850  1.00  0.00           C  
HETATM   22  O   UNL     1     -10.600   1.047  -0.502  1.00  0.00           O  
HETATM   23  N   UNL     1      -5.790   1.841   0.484  1.00  0.00           N  
HETATM   24  N   UNL     1      -9.623  -0.909  -1.007  1.00  0.00           N  
HETATM   25  C   UNL     1      -8.483  -1.645  -1.079  1.00  0.00           C  
HETATM   26  N   UNL     1      -7.312  -1.185  -0.755  1.00  0.00           N  
HETATM   27  N   UNL     1      -4.752  -0.202  -0.052  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.476   0.237  -0.212  1.00  0.00           C  
HETATM   29  N   UNL     1      -4.720  -1.602  -0.004  1.00  0.00           N  
HETATM   30  C   UNL     1      -3.476  -1.988  -0.131  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.507  -0.777   0.948  1.00  0.00           C  
HETATM   32  N   UNL     1       0.953  -0.765   0.784  1.00  0.00           N  
HETATM   33  C   UNL     1       1.397   0.467   0.121  1.00  0.00           C  
HETATM   34  N   UNL     1      11.093   0.302  -1.468  1.00  0.00           N  
HETATM   35  C   UNL     1      11.429   0.851  -2.788  1.00  0.00           C  
HETATM   36  H   UNL     1      11.679   0.463   0.543  1.00  0.00           H  
HETATM   37  H   UNL     1      12.955   0.820  -0.645  1.00  0.00           H  
HETATM   38  H   UNL     1      11.651   1.997  -0.359  1.00  0.00           H  
HETATM   39  H   UNL     1       9.085   0.058  -2.035  1.00  0.00           H  
HETATM   40  H   UNL     1       9.416   1.491  -1.034  1.00  0.00           H  
HETATM   41  H   UNL     1       9.543  -1.409  -0.089  1.00  0.00           H  
HETATM   42  H   UNL     1       9.874   0.025   0.913  1.00  0.00           H  
HETATM   43  H   UNL     1       7.285  -1.919  -0.819  1.00  0.00           H  
HETATM   44  H   UNL     1       4.878  -1.688  -0.354  1.00  0.00           H  
HETATM   45  H   UNL     1       5.671   1.747   2.046  1.00  0.00           H  
HETATM   46  H   UNL     1       8.079   1.512   1.586  1.00  0.00           H  
HETATM   47  H   UNL     1       3.488   1.052   1.798  1.00  0.00           H  
HETATM   48  H   UNL     1       3.231   1.302  -0.642  1.00  0.00           H  
HETATM   49  H   UNL     1       3.097  -0.464  -0.823  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.859  -1.744  -0.945  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.882   0.035  -1.012  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.687   3.651   0.962  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.949   2.891   0.368  1.00  0.00           H  
HETATM   54  H   UNL     1       1.257  -1.850   2.559  1.00  0.00           H  
HETATM   55  H   UNL     1       1.429  -0.086   2.714  1.00  0.00           H  
HETATM   56  H   UNL     1       3.339  -1.943   1.223  1.00  0.00           H  
HETATM   57  H   UNL     1       3.641  -1.192   2.810  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.469  -1.306  -1.267  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.554  -2.664  -1.430  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.161   1.267  -0.287  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.129  -3.011  -0.133  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.822   0.129   1.465  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.800  -1.650   1.533  1.00  0.00           H  
HETATM   64  H   UNL     1       1.198   1.321   0.769  1.00  0.00           H  
HETATM   65  H   UNL     1       0.857   0.590  -0.818  1.00  0.00           H  
HETATM   66  H   UNL     1      11.166   1.909  -2.819  1.00  0.00           H  
HETATM   67  H   UNL     1      12.497   0.737  -2.968  1.00  0.00           H  
HETATM   68  H   UNL     1      10.871   0.316  -3.557  1.00  0.00           H  
CONECT    1   34   36   37   38                                       
CONECT    2    3   34   39   40                                       
CONECT    3    4    2   41   42                                       
CONECT    4    9    9    5    3                                       
CONECT    5    6    6    4   43                                       
CONECT    6    7    5    5   44                                       
CONECT    7   10    8    8    6                                       
CONECT    8    7    7    9   45                                       
CONECT    9    8    4    4   46                                       
CONECT   10   11   21    7   47                                       
CONECT   11   33   10   48   49                                       
CONECT   12   13   31   50   51                                       
CONECT   13   28   28   30   12                                       
CONECT   14   23   23   18   27                                       
CONECT   15   16   16   23   52                                       
CONECT   16   15   15   17   53                                       
CONECT   17   16   19   18   18                                       
CONECT   18   17   17   14   26                                       
CONECT   19   22   22   17   24                                       
CONECT   20   32   21   54   55                                       
CONECT   21   20   10   56   57                                       
CONECT   22   19   19                                                 
CONECT   23   15   14   14                                            
CONECT   24   19   25   58                                            
CONECT   25   24   26   26   59                                       
CONECT   26   18   25   25                                            
CONECT   27   14   29   28                                            
CONECT   28   27   13   13   60                                       
CONECT   29   27   30   30                                            
CONECT   30   29   29   13   61                                       
CONECT   31   12   32   62   63                                       
CONECT   32   31   33   20                                            
CONECT   33   32   11   64   65                                       
CONECT   34   35    2    1                                            
CONECT   35   34   66   67   68                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   28                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
CONECT   63   31                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
