COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.888   0.669  -0.756  1.00  0.00           C  
HETATM    2  C   UNL     1       3.571  -0.557   0.750  1.00  0.00           C  
HETATM    3  C   UNL     1       0.637  -0.159   0.871  1.00  0.00           C  
HETATM    4  C   UNL     1       1.527   0.633  -0.092  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.359   0.159  -0.411  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.186  -4.295  -1.094  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.551   4.690   1.050  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.960   3.619   0.277  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.203   4.938   1.228  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.264   4.114   0.636  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.673   3.043  -0.136  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.649   2.145  -0.781  1.00  0.00           C  
HETATM   13  C   UNL     1       2.729  -0.220  -0.488  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.021   2.792  -0.310  1.00  0.00           C  
HETATM   15  C   UNL     1       1.391  -2.310  -0.226  1.00  0.00           C  
HETATM   16  C   UNL     1       2.274  -1.501  -1.181  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.985  -1.834   0.124  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.092  -0.940   0.619  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.860  -2.388  -0.226  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.112  -3.203  -0.025  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.337  -2.293  -0.139  1.00  0.00           C  
HETATM   22  C   UNL     1       3.656   0.562  -1.386  1.00  0.00           C  
HETATM   23  C   UNL     1       3.455   1.128  -2.630  1.00  0.00           C  
HETATM   24  C   UNL     1       4.483   1.805  -3.260  1.00  0.00           C  
HETATM   25  C   UNL     1       5.715   1.916  -2.641  1.00  0.00           C  
HETATM   26  C   UNL     1       5.922   1.350  -1.401  1.00  0.00           C  
HETATM   27  C   UNL     1       6.018   1.434   2.559  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.309  -1.732   0.814  1.00  0.00           N  
HETATM   29  N   UNL     1      -5.084  -3.823   1.307  1.00  0.00           N  
HETATM   30  N   UNL     1       0.301  -1.449   0.252  1.00  0.00           N  
HETATM   31  N   UNL     1       4.887   0.034   0.488  1.00  0.00           N  
HETATM   32  O   UNL     1      -1.250  -2.900  -0.389  1.00  0.00           O  
HETATM   33  O   UNL     1      -3.349  -2.323  -1.324  1.00  0.00           O  
HETATM   34  O   UNL     1      -3.327   1.074   0.108  1.00  0.00           O  
HETATM   35  O   UNL     1       7.314   0.076   0.663  1.00  0.00           O  
HETATM   36  O   UNL     1       5.958  -1.219   2.278  1.00  0.00           O  
HETATM   37  S   UNL     1       6.183  -0.041   1.516  1.00  0.00           S  
HETATM   38  H   UNL     1       3.128  -0.113   1.641  1.00  0.00           H  
HETATM   39  H   UNL     1       3.656  -1.637   0.867  1.00  0.00           H  
HETATM   40  H   UNL     1       1.171  -0.331   1.806  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.276   0.402   1.071  1.00  0.00           H  
HETATM   42  H   UNL     1       0.956   0.893  -0.984  1.00  0.00           H  
HETATM   43  H   UNL     1       1.872   1.544   0.397  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.432   0.692  -0.623  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.739  -0.289  -1.330  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.314  -4.943  -1.013  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.092  -4.885  -0.949  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.207  -3.836  -2.082  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.284   5.336   1.509  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.013   3.428   0.134  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.883   5.775   1.831  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.211   4.308   0.775  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.055   1.739  -1.708  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.749   2.719  -1.001  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.341   1.955  -0.913  1.00  0.00           H  
HETATM   56  H   UNL     1       0.974  -3.169  -0.752  1.00  0.00           H  
HETATM   57  H   UNL     1       1.984  -2.653   0.622  1.00  0.00           H  
HETATM   58  H   UNL     1       1.706  -1.248  -2.076  1.00  0.00           H  
HETATM   59  H   UNL     1       3.147  -2.093  -1.459  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.798  -0.487   1.566  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.357  -1.834  -1.127  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.242  -2.883   0.006  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.283  -1.515   0.623  1.00  0.00           H  
HETATM   64  H   UNL     1       2.493   1.040  -3.112  1.00  0.00           H  
HETATM   65  H   UNL     1       4.325   2.245  -4.233  1.00  0.00           H  
HETATM   66  H   UNL     1       6.518   2.444  -3.133  1.00  0.00           H  
HETATM   67  H   UNL     1       6.886   1.441  -0.923  1.00  0.00           H  
HETATM   68  H   UNL     1       5.070   1.395   3.096  1.00  0.00           H  
HETATM   69  H   UNL     1       6.840   1.466   3.275  1.00  0.00           H  
HETATM   70  H   UNL     1       6.046   2.326   1.934  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.718  -1.785   1.692  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.284  -4.429   1.407  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.100  -3.121   2.032  1.00  0.00           H  
CONECT    1   26   26   22   31                                       
CONECT    2   31   13   38   39                                       
CONECT    3    4   30   40   41                                       
CONECT    4   13    3   42   43                                       
CONECT    5   18   34   44   45                                       
CONECT    6   20   46   47   48                                       
CONECT    7    9    9    8   49                                       
CONECT    8    7   14   14   50                                       
CONECT    9    7    7   10   51                                       
CONECT   10    9   11   11   52                                       
CONECT   11   10   10   14   12                                       
CONECT   12   11   34   53   54                                       
CONECT   13   22   16    2    4                                       
CONECT   14    8    8   11   55                                       
CONECT   15   16   30   56   57                                       
CONECT   16   13   15   58   59                                       
CONECT   17   30   32   32   18                                       
CONECT   18   17    5   28   60                                       
CONECT   19   28   33   33   20                                       
CONECT   20   19   29    6   21                                       
CONECT   21   20   61   62   63                                       
CONECT   22   23   23    1   13                                       
CONECT   23   24   22   22   64                                       
CONECT   24   25   25   23   65                                       
CONECT   25   24   24   26   66                                       
CONECT   26   25    1    1   67                                       
CONECT   27   37   68   69   70                                       
CONECT   28   18   19   71                                            
CONECT   29   20   72   73                                            
CONECT   30   15    3   17                                            
CONECT   31    1   37    2                                            
CONECT   32   17   17                                                 
CONECT   33   19   19                                                 
CONECT   34    5   12                                                 
CONECT   35   37   37                                                 
CONECT   36   37   37                                                 
CONECT   37   27   31   35   35                                       
CONECT   37   36   36                                                 
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   18                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
