COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.011  -0.546   0.410  1.00  0.00           C  
HETATM    2  C   UNL     1       2.418  -2.601   1.697  1.00  0.00           C  
HETATM    3  C   UNL     1       0.836  -4.191   0.851  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.240  -3.833  -1.308  1.00  0.00           C  
HETATM    5  C   UNL     1       3.021   0.384   1.449  1.00  0.00           C  
HETATM    6  C   UNL     1       0.118  -5.390   0.991  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.206   0.361  -2.240  1.00  0.00           C  
HETATM    8  C   UNL     1       3.733   1.559   1.314  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.235   1.240  -1.963  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.472   0.275   0.224  1.00  0.00           C  
HETATM   11  C   UNL     1       4.435   1.815   0.150  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.870   1.198  -0.731  1.00  0.00           C  
HETATM   13  C   UNL     1       1.370  -2.198  -0.452  1.00  0.00           C  
HETATM   14  C   UNL     1       2.249  -1.810   0.550  1.00  0.00           C  
HETATM   15  C   UNL     1       0.654  -3.404  -0.313  1.00  0.00           C  
HETATM   16  O   UNL     1       1.206  -1.427  -1.556  1.00  0.00           O  
HETATM   17  C   UNL     1       0.193  -0.562  -1.284  1.00  0.00           C  
HETATM   18  C   UNL     1       3.721  -0.282  -0.760  1.00  0.00           C  
HETATM   19  C   UNL     1       1.732  -3.763   1.849  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.924  -4.998  -1.148  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.446  -0.607  -0.054  1.00  0.00           C  
HETATM   22  C   UNL     1       4.424   0.898  -0.886  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.751  -5.781  -0.002  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.447  -6.940   0.131  1.00  0.00           O  
HETATM   25  S   UNL     1       5.341   3.317  -0.016  1.00  0.00           S  
HETATM   26  O   UNL     1      -2.884   2.063  -0.459  1.00  0.00           O  
HETATM   27  C   UNL     1       6.979   2.886   0.633  1.00  0.00           C  
HETATM   28  O   UNL     1       4.648   4.200   0.855  1.00  0.00           O  
HETATM   29  O   UNL     1       5.370   3.513  -1.423  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.326   1.777   0.869  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.473   2.720   1.239  1.00  0.00           C  
HETATM   32  N   UNL     1      -5.609   2.488   0.337  1.00  0.00           N  
HETATM   33  C   UNL     1      -6.697   3.356   0.798  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.038   1.101   0.547  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.925   3.165  -0.094  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.229   0.785  -0.359  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.396   1.710   0.003  1.00  0.00           C  
HETATM   38  H   UNL     1       3.103  -2.282   2.468  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.385  -3.239  -2.198  1.00  0.00           H  
HETATM   40  H   UNL     1       2.474   0.185   2.359  1.00  0.00           H  
HETATM   41  H   UNL     1       0.246  -6.001   1.873  1.00  0.00           H  
HETATM   42  H   UNL     1       0.289   0.394  -3.199  1.00  0.00           H  
HETATM   43  H   UNL     1       3.741   2.279   2.118  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.546   1.959  -2.707  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.967   0.243   1.184  1.00  0.00           H  
HETATM   46  H   UNL     1       3.717  -0.998  -1.568  1.00  0.00           H  
HETATM   47  H   UNL     1       1.874  -4.360   2.738  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.610  -5.323  -1.916  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.136  -1.327   0.690  1.00  0.00           H  
HETATM   50  H   UNL     1       4.975   1.104  -1.793  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.276  -6.718   0.577  1.00  0.00           H  
HETATM   52  H   UNL     1       6.886   2.567   1.671  1.00  0.00           H  
HETATM   53  H   UNL     1       7.403   2.075   0.040  1.00  0.00           H  
HETATM   54  H   UNL     1       7.632   3.757   0.578  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.674   0.745   0.922  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.500   1.918   1.566  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.781   2.531   2.268  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.138   3.753   1.144  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.953   3.102   1.827  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.375   4.397   0.753  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.214   0.428   0.311  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.328   0.966   1.589  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.724   3.829   0.238  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.665   3.395  -1.127  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.530  -0.253  -0.216  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.948   0.944  -1.400  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.726   1.500   1.020  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.220   1.546  -0.692  1.00  0.00           H  
CONECT    1    5   14   18   18                                       
CONECT    2   14   19   19   38                                       
CONECT    3    6    6   15   19                                       
CONECT    4   15   15   20   39                                       
CONECT    5    1    8    8   40                                       
CONECT    6    3    3   23   41                                       
CONECT    7    9    9   17   42                                       
CONECT    8    5    5   11   43                                       
CONECT    9    7    7   12   44                                       
CONECT   10   12   12   21   45                                       
CONECT   11    8   22   22   25                                       
CONECT   12    9   10   10   26                                       
CONECT   13   14   14   15   16                                       
CONECT   14    1    2   13   13                                       
CONECT   15    3    4    4   13                                       
CONECT   16   13   17                                                 
CONECT   17    7   16   21   21                                       
CONECT   18    1    1   22   46                                       
CONECT   19    2    2    3   47                                       
CONECT   20    4   23   23   48                                       
CONECT   21   10   17   17   49                                       
CONECT   22   11   11   18   50                                       
CONECT   23    6   20   20   24                                       
CONECT   24   23   51                                                 
CONECT   25   11   27   28   28                                       
CONECT   25   29   29                                                 
CONECT   26   12   30                                                 
CONECT   27   25   52   53   54                                       
CONECT   28   25   25                                                 
CONECT   29   25   25                                                 
CONECT   30   26   31   55   56                                       
CONECT   31   30   32   57   58                                       
CONECT   32   31   33   34                                            
CONECT   33   32   35   59   60                                       
CONECT   34   32   36   61   62                                       
CONECT   35   33   37   63   64                                       
CONECT   36   34   37   65   66                                       
CONECT   37   35   36   67   68                                       
CONECT   38    2                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   24                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   33                                                      
CONECT   60   33                                                      
CONECT   61   34                                                      
CONECT   62   34                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
