COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.431   3.978  -0.566  1.00  0.00           C  
HETATM    2  C   UNL     1       6.228   1.654   0.426  1.00  0.00           C  
HETATM    3  C   UNL     1       6.381   2.348   1.620  1.00  0.00           C  
HETATM    4  C   UNL     1       5.951   1.784   2.805  1.00  0.00           C  
HETATM    5  C   UNL     1       5.370   0.529   2.805  1.00  0.00           C  
HETATM    6  C   UNL     1       5.217  -0.165   1.618  1.00  0.00           C  
HETATM    7  C   UNL     1       5.644   0.393   0.430  1.00  0.00           C  
HETATM    8  C   UNL     1       6.191  -2.499  -1.753  1.00  0.00           C  
HETATM    9  C   UNL     1       4.896  -2.685  -0.925  1.00  0.00           C  
HETATM   10  N   UNL     1       4.367  -1.322  -0.740  1.00  0.00           N  
HETATM   11  C   UNL     1       2.041  -2.093  -0.401  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.356  -2.282  -0.009  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.744  -2.587   0.373  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.709  -1.258  -0.421  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.823  -0.472  -0.184  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.016   1.281   0.284  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.424  -0.641   2.180  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.312  -1.421   1.937  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.277   2.559  -0.107  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.895   2.218  -0.667  1.00  0.00           C  
HETATM   21  S   UNL     1       6.768   2.373  -1.089  1.00  0.00           S  
HETATM   22  C   UNL     1       5.476  -0.365  -0.862  1.00  0.00           C  
HETATM   23  C   UNL     1       6.753  -1.179  -1.162  1.00  0.00           C  
HETATM   24  C   UNL     1       3.079  -1.005  -0.501  1.00  0.00           C  
HETATM   25  O   UNL     1       2.755   0.156  -0.366  1.00  0.00           O  
HETATM   26  N   UNL     1       0.730  -1.494  -0.138  1.00  0.00           N  
HETATM   27  O   UNL     1      -0.248  -3.488  -0.111  1.00  0.00           O  
HETATM   28  N   UNL     1      -1.563  -1.731   0.233  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.956  -1.731   0.637  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.616   0.051  -1.357  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.059   0.325  -0.916  1.00  0.00           C  
HETATM   32  N   UNL     1      -7.323   0.605   1.385  1.00  0.00           N  
HETATM   33  C   UNL     1      -6.187  -0.166   1.118  1.00  0.00           C  
HETATM   34  O   UNL     1      -8.031   3.257  -1.100  1.00  0.00           O  
HETATM   35  O   UNL     1      -6.031   1.301  -1.757  1.00  0.00           O  
HETATM   36  H   UNL     1       8.248   3.822   0.139  1.00  0.00           H  
HETATM   37  H   UNL     1       7.800   4.520  -1.436  1.00  0.00           H  
HETATM   38  H   UNL     1       6.643   4.557  -0.085  1.00  0.00           H  
HETATM   39  H   UNL     1       6.835   3.328   1.621  1.00  0.00           H  
HETATM   40  H   UNL     1       6.070   2.323   3.733  1.00  0.00           H  
HETATM   41  H   UNL     1       5.036   0.090   3.733  1.00  0.00           H  
HETATM   42  H   UNL     1       4.762  -1.145   1.622  1.00  0.00           H  
HETATM   43  H   UNL     1       6.883  -3.326  -1.589  1.00  0.00           H  
HETATM   44  H   UNL     1       5.964  -2.388  -2.814  1.00  0.00           H  
HETATM   45  H   UNL     1       4.180  -3.299  -1.472  1.00  0.00           H  
HETATM   46  H   UNL     1       5.124  -3.139   0.040  1.00  0.00           H  
HETATM   47  H   UNL     1       2.006  -2.648  -1.338  1.00  0.00           H  
HETATM   48  H   UNL     1       2.301  -2.769   0.413  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.892  -3.154  -0.546  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.597  -3.275   1.205  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.431  -1.506  -1.434  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.033   1.528   0.591  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.702  -0.398   3.195  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.720  -1.789   2.761  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.162   3.193   0.772  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.411   3.130  -1.018  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.288   1.764   0.116  1.00  0.00           H  
HETATM   58  H   UNL     1       5.278   0.331  -1.677  1.00  0.00           H  
HETATM   59  H   UNL     1       7.311  -1.373  -0.246  1.00  0.00           H  
HETATM   60  H   UNL     1       7.376  -0.664  -1.893  1.00  0.00           H  
HETATM   61  H   UNL     1       0.644  -0.532  -0.057  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.649  -0.768   0.314  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.602  -0.670  -2.175  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.539  -0.610  -0.625  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.613   0.785  -1.734  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.650   0.693   2.294  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.622   4.081  -1.397  1.00  0.00           H  
CONECT    1   21   36   37   38                                       
CONECT    2   21    3    3    7                                       
CONECT    3    2    2    4   39                                       
CONECT    4    3    5    5   40                                       
CONECT    5    4    4    6   41                                       
CONECT    6    7    7    5   42                                       
CONECT    7    2   22    6    6                                       
CONECT    8   23    9   43   44                                       
CONECT    9   10    8   45   46                                       
CONECT   10   22   24    9                                            
CONECT   11   26   24   47   48                                       
CONECT   12   27   27   28   26                                       
CONECT   13   28   29   49   50                                       
CONECT   14   29   29   15   51                                       
CONECT   15   14   30   33   33                                       
CONECT   16   31   32   19   52                                       
CONECT   17   18   18   33   53                                       
CONECT   18   29   17   17   54                                       
CONECT   19   16   20   34   55                                       
CONECT   20   35   19   56   57                                       
CONECT   21    1    2                                                 
CONECT   22   23    7   10   58                                       
CONECT   23   22    8   59   60                                       
CONECT   24   11   10   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   12   11   61                                            
CONECT   27   12   12                                                 
CONECT   28   13   12   62                                            
CONECT   29   13   14   14   18                                       
CONECT   30   15   31   35   63                                       
CONECT   31   30   16   64   65                                       
CONECT   32   33   16   66                                            
CONECT   33   15   15   17   32                                       
CONECT   34   19   67                                                 
CONECT   35   30   20                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   26                                                      
CONECT   62   28                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   34                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
