COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -8.814   3.263   1.070  1.00  0.00           N  
HETATM    2  C   UNL     1      -8.584   2.132   1.712  1.00  0.00           C  
HETATM    3  N   UNL     1      -7.572   1.344   1.414  1.00  0.00           N  
HETATM    4  C   UNL     1      -6.730   1.664   0.437  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.932   2.857  -0.276  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.026   3.665   0.079  1.00  0.00           C  
HETATM    7  N   UNL     1      -8.276   4.851  -0.588  1.00  0.00           N  
HETATM    8  N   UNL     1      -5.946   2.941  -1.202  1.00  0.00           N  
HETATM    9  C   UNL     1      -5.171   1.901  -1.104  1.00  0.00           C  
HETATM   10  N   UNL     1      -5.612   1.082  -0.107  1.00  0.00           N  
HETATM   11  C   UNL     1      -7.119  -3.861  -1.028  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.823  -4.716   0.942  1.00  0.00           C  
HETATM   13  O   UNL     1      11.130  -1.922   0.164  1.00  0.00           O  
HETATM   14  C   UNL     1       0.272  -1.851  -0.334  1.00  0.00           C  
HETATM   15  C   UNL     1       4.830  -0.559   0.924  1.00  0.00           C  
HETATM   16  C   UNL     1       3.413  -0.246   0.441  1.00  0.00           C  
HETATM   17  C   UNL     1       5.779   0.554   0.476  1.00  0.00           C  
HETATM   18  C   UNL     1       2.464  -1.359   0.890  1.00  0.00           C  
HETATM   19  C   UNL     1       7.197   0.242   0.959  1.00  0.00           C  
HETATM   20  C   UNL     1       9.994   2.112  -1.318  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.047  -1.640  -1.272  1.00  0.00           C  
HETATM   22  N   UNL     1       0.371   0.067   0.646  1.00  0.00           N  
HETATM   23  N   UNL     1      -0.780  -0.034   0.080  1.00  0.00           N  
HETATM   24  N   UNL     1      11.308   0.240  -0.424  1.00  0.00           N  
HETATM   25  N   UNL     1       9.775  -0.389   1.093  1.00  0.00           N  
HETATM   26  O   UNL     1      -3.618  -0.207  -0.068  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.722  -3.482  -0.843  1.00  0.00           O  
HETATM   28  O   UNL     1      -6.116  -2.323   0.576  1.00  0.00           O  
HETATM   29  S   UNL     1       8.310   1.373  -1.321  1.00  0.00           S  
HETATM   30  C   UNL     1      10.763  -0.768   0.271  1.00  0.00           C  
HETATM   31  C   UNL     1       1.068  -1.051   0.414  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.289  -1.576  -0.381  1.00  0.00           C  
HETATM   33  C   UNL     1       8.146   1.355   0.511  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.533  -2.091  -1.145  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.696  -1.357  -0.414  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.005  -0.184   0.307  1.00  0.00           C  
HETATM   37  N   UNL     1      -0.882  -1.168  -0.519  1.00  0.00           N  
HETATM   38  C   UNL     1      -5.941  -3.592  -0.089  1.00  0.00           C  
HETATM   39  C   UNL     1      10.633   1.495  -0.058  1.00  0.00           C  
HETATM   40  C   UNL     1       9.586   1.066   0.977  1.00  0.00           C  
HETATM   41  H   UNL     1      -9.250   1.843   2.511  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.034   5.400  -0.334  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.693   5.134  -1.310  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.306   1.713  -1.723  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.039  -3.926  -0.447  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.201  -3.049  -1.750  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.955  -4.801  -1.556  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.649  -5.662   0.429  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.989  -4.508   1.612  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.746  -4.779   1.518  1.00  0.00           H  
HETATM   51  H   UNL     1       0.511  -2.835  -0.711  1.00  0.00           H  
HETATM   52  H   UNL     1       4.837  -0.626   2.012  1.00  0.00           H  
HETATM   53  H   UNL     1       5.158  -1.508   0.500  1.00  0.00           H  
HETATM   54  H   UNL     1       3.086   0.703   0.865  1.00  0.00           H  
HETATM   55  H   UNL     1       3.406  -0.179  -0.647  1.00  0.00           H  
HETATM   56  H   UNL     1       5.773   0.621  -0.612  1.00  0.00           H  
HETATM   57  H   UNL     1       5.452   1.503   0.900  1.00  0.00           H  
HETATM   58  H   UNL     1       2.791  -2.309   0.465  1.00  0.00           H  
HETATM   59  H   UNL     1       2.470  -1.426   1.977  1.00  0.00           H  
HETATM   60  H   UNL     1       7.203   0.175   2.047  1.00  0.00           H  
HETATM   61  H   UNL     1       7.524  -0.708   0.535  1.00  0.00           H  
HETATM   62  H   UNL     1      10.545   1.822  -2.212  1.00  0.00           H  
HETATM   63  H   UNL     1       9.939   3.197  -1.231  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.881  -2.669  -1.591  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.194  -1.007  -2.147  1.00  0.00           H  
HETATM   66  H   UNL     1      12.031   0.155  -1.064  1.00  0.00           H  
HETATM   67  H   UNL     1       9.267  -0.978   1.672  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.134  -2.151   0.532  1.00  0.00           H  
HETATM   69  H   UNL     1       7.805   2.323   0.878  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.489  -1.890  -2.216  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.500  -1.048  -1.082  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.099  -0.305   1.387  1.00  0.00           H  
HETATM   73  H   UNL     1      11.345   2.192   0.384  1.00  0.00           H  
HETATM   74  H   UNL     1       9.776   1.549   1.936  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    3   41                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   10                                       
CONECT    5    4    6    6    8                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6   42   43                                            
CONECT    8    5    9    9                                            
CONECT    9    8    8   10   44                                       
CONECT   10    4    9   36                                            
CONECT   11   38   45   46   47                                       
CONECT   12   38   48   49   50                                       
CONECT   13   30   30                                                 
CONECT   14   31   31   37   51                                       
CONECT   15   16   17   52   53                                       
CONECT   16   15   18   54   55                                       
CONECT   17   15   19   56   57                                       
CONECT   18   16   31   58   59                                       
CONECT   19   17   33   60   61                                       
CONECT   20   29   39   62   63                                       
CONECT   21   32   37   64   65                                       
CONECT   22   23   23   31                                            
CONECT   23   22   22   37                                            
CONECT   24   30   39   66                                            
CONECT   25   30   40   67                                            
CONECT   26   32   36                                                 
CONECT   27   34   38                                                 
CONECT   28   35   38                                                 
CONECT   29   20   33                                                 
CONECT   30   13   13   24   25                                       
CONECT   31   14   14   18   22                                       
CONECT   32   21   26   34   68                                       
CONECT   33   19   29   40   69                                       
CONECT   34   27   32   35   70                                       
CONECT   35   28   34   36   71                                       
CONECT   36   10   26   35   72                                       
CONECT   37   14   21   23                                            
CONECT   38   11   12   27   28                                       
CONECT   39   20   24   40   73                                       
CONECT   40   25   33   39   74                                       
CONECT   41    2                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   39                                                      
CONECT   74   40                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
