COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.486  -3.787  -0.364  1.00  0.00           C  
HETATM    2  C   UNL     1       0.163   2.793   0.309  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.045   2.758  -1.183  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.164   1.525  -3.232  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.493   3.896  -3.242  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.346  -4.575   0.940  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.546  -1.569   0.109  1.00  0.00           C  
HETATM    8  C   UNL     1       1.200  -1.931   0.018  1.00  0.00           C  
HETATM    9  C   UNL     1       0.508  -1.584  -1.136  1.00  0.00           C  
HETATM   10 CL   UNL     1       1.362  -1.392  -2.635  1.00  0.00          Cl  
HETATM   11  N   UNL     1      -3.829   2.211   0.943  1.00  0.00           N  
HETATM   12  C   UNL     1      -5.144   2.092   0.925  1.00  0.00           C  
HETATM   13  N   UNL     1      -5.738   0.947   0.679  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.044   1.171   0.714  1.00  0.00           C  
HETATM   15  S   UNL     1      -5.536  -1.804   0.078  1.00  0.00           S  
HETATM   16  C   UNL     1      -3.880  -2.366  -0.053  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.015  -1.376   0.159  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.633  -0.087   0.443  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.027  -0.161   0.434  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.696   1.309   0.736  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.182   2.612   1.015  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.993   2.770   2.502  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.613   3.953   3.009  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.184   1.830   3.238  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.302   3.928  -1.873  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.427   2.694  -3.921  1.00  0.00           C  
HETATM   27  C   UNL     1       0.027   1.556  -1.863  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.859  -1.403  -1.093  1.00  0.00           C  
HETATM   29  C   UNL     1       0.521  -2.086   1.218  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.847  -1.912   1.266  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.610  -1.028  -2.345  1.00  0.00           C  
HETATM   32  O   UNL     1       2.546  -2.120  -0.029  1.00  0.00           O  
HETATM   33  C   UNL     1       3.194  -2.475   1.194  1.00  0.00           C  
HETATM   34  C   UNL     1       4.694  -2.644   0.945  1.00  0.00           C  
HETATM   35  N   UNL     1       5.275  -1.351   0.558  1.00  0.00           N  
HETATM   36  C   UNL     1       5.214  -0.392   1.670  1.00  0.00           C  
HETATM   37  C   UNL     1       5.754   0.961   1.204  1.00  0.00           C  
HETATM   38  N   UNL     1       7.135   0.797   0.729  1.00  0.00           N  
HETATM   39  C   UNL     1       7.196  -0.161  -0.383  1.00  0.00           C  
HETATM   40  C   UNL     1       6.656  -1.515   0.083  1.00  0.00           C  
HETATM   41  C   UNL     1       7.716   2.090   0.342  1.00  0.00           C  
HETATM   42  H   UNL     1      -2.535  -3.792  -0.896  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.253  -4.248  -0.987  1.00  0.00           H  
HETATM   44  H   UNL     1       0.837   1.987   0.600  1.00  0.00           H  
HETATM   45  H   UNL     1       0.597   3.751   0.593  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.113   0.585  -3.763  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.698   4.810  -3.780  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.062  -5.603   0.715  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.580  -4.114   1.563  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.298  -4.569   1.472  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.751   2.964   1.117  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.885   3.365   0.657  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.505   4.005   3.969  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.354   4.867  -1.342  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.581   2.668  -4.990  1.00  0.00           H  
HETATM   56  H   UNL     1       0.232   0.643  -1.326  1.00  0.00           H  
HETATM   57  H   UNL     1       1.062  -2.355   2.113  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.376  -2.041   2.198  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.653   0.058  -2.431  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.098  -1.441  -3.214  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.622  -1.429  -2.296  1.00  0.00           H  
HETATM   62  H   UNL     1       3.034  -1.688   1.931  1.00  0.00           H  
HETATM   63  H   UNL     1       2.780  -3.412   1.566  1.00  0.00           H  
HETATM   64  H   UNL     1       5.175  -3.000   1.855  1.00  0.00           H  
HETATM   65  H   UNL     1       4.851  -3.366   0.144  1.00  0.00           H  
HETATM   66  H   UNL     1       4.180  -0.278   1.996  1.00  0.00           H  
HETATM   67  H   UNL     1       5.819  -0.759   2.500  1.00  0.00           H  
HETATM   68  H   UNL     1       5.133   1.341   0.392  1.00  0.00           H  
HETATM   69  H   UNL     1       5.737   1.666   2.035  1.00  0.00           H  
HETATM   70  H   UNL     1       6.592   0.205  -1.213  1.00  0.00           H  
HETATM   71  H   UNL     1       8.230  -0.275  -0.709  1.00  0.00           H  
HETATM   72  H   UNL     1       7.277  -1.894   0.895  1.00  0.00           H  
HETATM   73  H   UNL     1       6.673  -2.220  -0.748  1.00  0.00           H  
HETATM   74  H   UNL     1       7.720   2.759   1.203  1.00  0.00           H  
HETATM   75  H   UNL     1       8.738   1.940  -0.006  1.00  0.00           H  
HETATM   76  H   UNL     1       7.122   2.531  -0.458  1.00  0.00           H  
CONECT    1   16    6   42   43                                       
CONECT    2    3   21   44   45                                       
CONECT    3    2   25   25   27                                       
CONECT    4   27   27   26   46                                       
CONECT    5   25   26   26   47                                       
CONECT    6    1   48   49   50                                       
CONECT    7   30   30   28   17                                       
CONECT    8   32   29   29    9                                       
CONECT    9    8   10   28   28                                       
CONECT   10    9                                                      
CONECT   11   14   14   12                                            
CONECT   12   11   13   13   51                                       
CONECT   13   12   12   19                                            
CONECT   14   20   11   11   18                                       
CONECT   15   16   19                                                 
CONECT   16   17   17    1   15                                       
CONECT   17    7   18   16   16                                       
CONECT   18   14   17   19   19                                       
CONECT   19   18   18   13   15                                       
CONECT   20   21   14                                                 
CONECT   21    2   22   20   52                                       
CONECT   22   24   24   23   21                                       
CONECT   23   22   53                                                 
CONECT   24   22   22                                                 
CONECT   25    3    3    5   54                                       
CONECT   26    5    5    4   55                                       
CONECT   27    3    4    4   56                                       
CONECT   28    9    9    7   31                                       
CONECT   29    8    8   30   57                                       
CONECT   30   29    7    7   58                                       
CONECT   31   28   59   60   61                                       
CONECT   32   33    8                                                 
CONECT   33   34   32   62   63                                       
CONECT   34   35   33   64   65                                       
CONECT   35   36   34   40                                            
CONECT   36   37   35   66   67                                       
CONECT   37   36   38   68   69                                       
CONECT   38   37   41   39                                            
CONECT   39   38   40   70   71                                       
CONECT   40   35   39   72   73                                       
CONECT   41   38   74   75   76                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51   12                                                      
CONECT   52   21                                                      
CONECT   53   23                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
CONECT   61   31                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   34                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
CONECT   70   39                                                      
CONECT   71   39                                                      
CONECT   72   40                                                      
CONECT   73   40                                                      
CONECT   74   41                                                      
CONECT   75   41                                                      
CONECT   76   41                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
