COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.033   3.011  -1.360  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.086   1.509  -1.336  1.00  0.00           C  
HETATM    3  C   UNL     1       0.903   0.719  -1.724  1.00  0.00           C  
HETATM    4  S   UNL     1       0.445  -0.969  -1.573  1.00  0.00           S  
HETATM    5  C   UNL     1      -1.143  -0.532  -0.962  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.250   0.860  -0.895  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.410   1.384  -0.439  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.406   0.608  -0.065  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.331  -0.719  -0.113  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.236  -1.319  -0.557  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.162  -2.702  -0.604  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.018  -3.195   0.176  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.939  -4.719   0.047  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.176  -5.293   0.478  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.311  -4.835  -0.261  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.414  -3.312  -0.136  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.655   1.236   0.427  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.780   2.627   0.495  1.00  0.00           C  
HETATM   19  N   UNL     1      -5.909   3.148   0.939  1.00  0.00           N  
HETATM   20  C   UNL     1      -6.915   2.372   1.317  1.00  0.00           C  
HETATM   21  N   UNL     1      -6.835   1.050   1.267  1.00  0.00           N  
HETATM   22  C   UNL     1      -5.741   0.453   0.829  1.00  0.00           C  
HETATM   23  N   UNL     1      -8.080   2.958   1.776  1.00  0.00           N  
HETATM   24  C   UNL     1       2.239   1.202  -2.226  1.00  0.00           C  
HETATM   25  N   UNL     1       3.166   1.342  -1.095  1.00  0.00           N  
HETATM   26  C   UNL     1       4.397   2.031  -1.504  1.00  0.00           C  
HETATM   27  C   UNL     1       5.254   2.317  -0.267  1.00  0.00           C  
HETATM   28  N   UNL     1       5.461   1.055   0.460  1.00  0.00           N  
HETATM   29  C   UNL     1       4.282   0.238   0.785  1.00  0.00           C  
HETATM   30  C   UNL     1       3.463   0.034  -0.493  1.00  0.00           C  
HETATM   31  C   UNL     1       6.698   0.657   0.817  1.00  0.00           C  
HETATM   32  O   UNL     1       7.659   1.343   0.540  1.00  0.00           O  
HETATM   33  C   UNL     1       6.887  -0.640   1.561  1.00  0.00           C  
HETATM   34  C   UNL     1       6.225  -0.540   2.937  1.00  0.00           C  
HETATM   35  O   UNL     1       8.283  -0.897   1.723  1.00  0.00           O  
HETATM   36  H   UNL     1      -0.304   3.387  -2.326  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.584   3.437  -0.569  1.00  0.00           H  
HETATM   38  H   UNL     1       1.074   3.296  -1.203  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.098  -2.750  -0.205  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.148  -2.924   1.224  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.755  -4.987  -0.993  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.127  -5.095   0.670  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.196  -5.107  -1.311  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.215  -5.296   0.137  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.582  -3.044   0.907  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.244  -2.953  -0.744  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.964   3.265   0.189  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.683  -0.625   0.791  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.153   3.924   1.819  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.824   2.402   2.056  1.00  0.00           H  
HETATM   51  H   UNL     1       2.641   0.483  -2.939  1.00  0.00           H  
HETATM   52  H   UNL     1       2.115   2.169  -2.715  1.00  0.00           H  
HETATM   53  H   UNL     1       4.955   1.400  -2.196  1.00  0.00           H  
HETATM   54  H   UNL     1       4.141   2.970  -1.995  1.00  0.00           H  
HETATM   55  H   UNL     1       6.217   2.724  -0.575  1.00  0.00           H  
HETATM   56  H   UNL     1       4.742   3.033   0.376  1.00  0.00           H  
HETATM   57  H   UNL     1       4.602  -0.729   1.173  1.00  0.00           H  
HETATM   58  H   UNL     1       3.675   0.752   1.531  1.00  0.00           H  
HETATM   59  H   UNL     1       2.530  -0.475  -0.251  1.00  0.00           H  
HETATM   60  H   UNL     1       4.034  -0.569  -1.199  1.00  0.00           H  
HETATM   61  H   UNL     1       6.431  -1.452   0.996  1.00  0.00           H  
HETATM   62  H   UNL     1       6.681   0.273   3.502  1.00  0.00           H  
HETATM   63  H   UNL     1       5.160  -0.344   2.813  1.00  0.00           H  
HETATM   64  H   UNL     1       6.361  -1.478   3.475  1.00  0.00           H  
HETATM   65  H   UNL     1       8.480  -1.718   2.194  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    1    3    3    6                                       
CONECT    3    2    2   24    4                                       
CONECT    4    3    5                                                 
CONECT    5    4    6    6   10                                       
CONECT    6    2    5    5    7                                       
CONECT    7    6    8    8                                            
CONECT    8    7    7   17    9                                       
CONECT    9    8   10   10                                            
CONECT   10    5    9    9   11                                       
CONECT   11   10   12   16                                            
CONECT   12   11   13   39   40                                       
CONECT   13   12   14   41   42                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   43   44                                       
CONECT   16   11   15   45   46                                       
CONECT   17    8   22   22   18                                       
CONECT   18   17   19   19   47                                       
CONECT   19   18   18   20                                            
CONECT   20   19   21   21   23                                       
CONECT   21   20   20   22                                            
CONECT   22   17   17   21   48                                       
CONECT   23   20   49   50                                            
CONECT   24    3   25   51   52                                       
CONECT   25   24   30   26                                            
CONECT   26   25   27   53   54                                       
CONECT   27   26   28   55   56                                       
CONECT   28   27   31   29                                            
CONECT   29   28   30   57   58                                       
CONECT   30   25   29   59   60                                       
CONECT   31   28   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   35   34   61                                       
CONECT   34   33   62   63   64                                       
CONECT   35   33   65                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   18                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   30                                                      
CONECT   61   33                                                      
CONECT   62   34                                                      
CONECT   63   34                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
