COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.606  -4.713   9.677  1.00  0.00           C  
HETATM    2  C   UNL     1       4.912  -3.523   9.470  1.00  0.00           C  
HETATM    3  C   UNL     1       4.161  -2.967  10.506  1.00  0.00           C  
HETATM    4  C   UNL     1       4.106  -3.603  11.746  1.00  0.00           C  
HETATM    5  C   UNL     1       4.802  -4.795  11.950  1.00  0.00           C  
HETATM    6  C   UNL     1       5.553  -5.350  10.914  1.00  0.00           C  
HETATM    7  O   UNL     1       3.373  -3.061  12.757  1.00  0.00           O  
HETATM    8  S   UNL     1       1.792  -3.411  13.016  1.00  0.00           S  
HETATM    9  O   UNL     1       1.690  -4.805  13.408  1.00  0.00           O  
HETATM   10  O   UNL     1       1.021  -2.895  11.899  1.00  0.00           O  
HETATM   11  N   UNL     1       1.401  -2.461  14.391  1.00  0.00           N  
HETATM   12  N   UNL     1       5.880  -6.179   7.701  1.00  0.00           N  
HETATM   13  C   UNL     1       6.384  -5.289   8.603  1.00  0.00           C  
HETATM   14  C   UNL     1       7.706  -5.077   8.285  1.00  0.00           C  
HETATM   15  C   UNL     1       9.170  -6.076   6.371  1.00  0.00           C  
HETATM   16  C   UNL     1       9.119  -6.955   5.283  1.00  0.00           C  
HETATM   17  C   UNL     1       7.939  -7.623   4.961  1.00  0.00           C  
HETATM   18  C   UNL     1       6.777  -7.436   5.713  1.00  0.00           C  
HETATM   19  C   UNL     1       6.842  -6.555   6.799  1.00  0.00           C  
HETATM   20  C   UNL     1       8.010  -5.872   7.145  1.00  0.00           C  
HETATM   21  C   UNL     1       4.508  -6.672   7.690  1.00  0.00           C  
HETATM   22  C   UNL     1       3.552  -5.824   6.848  1.00  0.00           C  
HETATM   23  C   UNL     1       2.131  -6.391   6.798  1.00  0.00           C  
HETATM   24  C   UNL     1       1.210  -5.509   5.951  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.217  -6.061   5.928  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.181  -5.228   5.076  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.613  -5.771   5.074  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.576  -4.938   4.222  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.022  -5.433   4.276  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.933  -4.579   3.406  1.00  0.00           C  
HETATM   31  O   UNL     1       8.581  -7.106   1.901  1.00  0.00           O  
HETATM   32  S   UNL     1       7.542  -8.004   2.372  1.00  0.00           S  
HETATM   33  O   UNL     1       6.147  -7.604   2.348  1.00  0.00           O  
HETATM   34  O   UNL     1       7.918  -8.475   3.896  1.00  0.00           O  
HETATM   35  N   UNL     1       7.675  -9.459   1.471  1.00  0.00           N  
HETATM   36  H   UNL     1       4.945  -3.015   8.509  1.00  0.00           H  
HETATM   37  H   UNL     1       3.621  -2.039  10.341  1.00  0.00           H  
HETATM   38  H   UNL     1       4.763  -5.295  12.914  1.00  0.00           H  
HETATM   39  H   UNL     1       6.090  -6.279  11.089  1.00  0.00           H  
HETATM   40  H   UNL     1       1.383  -1.442  14.255  1.00  0.00           H  
HETATM   41  H   UNL     1       1.847  -2.731  15.277  1.00  0.00           H  
HETATM   42  H   UNL     1       8.386  -4.420   8.811  1.00  0.00           H  
HETATM   43  H   UNL     1      10.096  -5.561   6.611  1.00  0.00           H  
HETATM   44  H   UNL     1      10.015  -7.113   4.687  1.00  0.00           H  
HETATM   45  H   UNL     1       5.858  -7.957   5.461  1.00  0.00           H  
HETATM   46  H   UNL     1       4.156  -6.742   8.727  1.00  0.00           H  
HETATM   47  H   UNL     1       4.542  -7.695   7.297  1.00  0.00           H  
HETATM   48  H   UNL     1       3.951  -5.772   5.827  1.00  0.00           H  
HETATM   49  H   UNL     1       3.523  -4.796   7.229  1.00  0.00           H  
HETATM   50  H   UNL     1       2.155  -7.405   6.380  1.00  0.00           H  
HETATM   51  H   UNL     1       1.722  -6.466   7.812  1.00  0.00           H  
HETATM   52  H   UNL     1       1.215  -4.493   6.360  1.00  0.00           H  
HETATM   53  H   UNL     1       1.598  -5.451   4.927  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.198  -7.080   5.523  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.603  -6.136   6.953  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.792  -5.220   4.052  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.178  -4.189   5.425  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.616  -6.810   4.723  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.002  -5.781   6.098  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.541  -3.903   4.583  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.228  -4.921   3.182  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.084  -6.471   3.931  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.387  -5.409   5.309  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.960  -4.953   3.451  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.936  -3.538   3.744  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.608  -4.600   2.361  1.00  0.00           H  
HETATM   67  H   UNL     1       6.970 -10.182   1.661  1.00  0.00           H  
HETATM   68  H   UNL     1       8.620  -9.850   1.368  1.00  0.00           H  
CONECT    1    2    6    6   13                                       
CONECT    2    1    3    3   36                                       
CONECT    3    2    2    4   37                                       
CONECT    4    3    5    5    7                                       
CONECT    5    4    4    6   38                                       
CONECT    6    1    1    5   39                                       
CONECT    7    4    8                                                 
CONECT    8    7    9    9   10                                       
CONECT    8   10   11                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    8   40   41                                            
CONECT   12   13   19   21                                            
CONECT   13    1   12   14   14                                       
CONECT   14   13   13   20   42                                       
CONECT   15   16   20   20   43                                       
CONECT   16   15   17   17   44                                       
CONECT   17   16   16   18   34                                       
CONECT   18   17   19   19   45                                       
CONECT   19   12   18   18   20                                       
CONECT   20   14   15   15   19                                       
CONECT   21   12   22   46   47                                       
CONECT   22   21   23   48   49                                       
CONECT   23   22   24   50   51                                       
CONECT   24   23   25   52   53                                       
CONECT   25   24   26   54   55                                       
CONECT   26   25   27   56   57                                       
CONECT   27   26   28   58   59                                       
CONECT   28   27   29   60   61                                       
CONECT   29   28   30   62   63                                       
CONECT   30   29   64   65   66                                       
CONECT   31   32   32                                                 
CONECT   32   31   31   33   33                                       
CONECT   32   34   35                                                 
CONECT   33   32   32                                                 
CONECT   34   17   32                                                 
CONECT   35   32   67   68                                            
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   18                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
