COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.242   0.257   0.428  1.00  0.00           O  
HETATM    2  C   UNL     1       5.129  -0.218   0.289  1.00  0.00           C  
HETATM    3  C   UNL     1       4.975  -1.633  -0.061  1.00  0.00           C  
HETATM    4  S   UNL     1       3.796  -2.734   0.638  1.00  0.00           S  
HETATM    5  C   UNL     1       4.358  -4.023  -0.327  1.00  0.00           C  
HETATM    6  C   UNL     1       5.365  -3.628  -1.115  1.00  0.00           C  
HETATM    7  C   UNL     1       5.720  -2.306  -0.988  1.00  0.00           C  
HETATM    8  N   UNL     1       4.040   0.556   0.463  1.00  0.00           N  
HETATM    9  C   UNL     1       4.180   1.993   0.737  1.00  0.00           C  
HETATM   10  C   UNL     1       3.375   2.773  -0.311  1.00  0.00           C  
HETATM   11  C   UNL     1       2.691  -0.020   0.377  1.00  0.00           C  
HETATM   12  C   UNL     1       1.890   0.763  -0.671  1.00  0.00           C  
HETATM   13  N   UNL     1       2.026   2.195  -0.392  1.00  0.00           N  
HETATM   14  C   UNL     1       0.937   2.969  -0.218  1.00  0.00           C  
HETATM   15  O   UNL     1       1.061   4.171  -0.081  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.289   2.411  -0.195  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.464   3.236   0.102  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.702   2.378   0.065  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.396   2.216  -1.120  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.532   1.429  -1.154  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.974   0.804  -0.003  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.280   0.964   1.181  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.141   1.747   1.214  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.213  -0.053  -0.040  1.00  0.00           C  
HETATM   25  N   UNL     1      -5.841  -1.439  -0.356  1.00  0.00           N  
HETATM   26  C   UNL     1      -7.040  -2.258  -0.636  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.749  -3.677  -0.113  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.333  -3.598   0.503  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.168  -2.086   0.799  1.00  0.00           C  
HETATM   30  H   UNL     1       3.955  -5.025  -0.305  1.00  0.00           H  
HETATM   31  H   UNL     1       5.860  -4.298  -1.802  1.00  0.00           H  
HETATM   32  H   UNL     1       6.510  -1.846  -1.562  1.00  0.00           H  
HETATM   33  H   UNL     1       3.795   2.215   1.733  1.00  0.00           H  
HETATM   34  H   UNL     1       5.231   2.276   0.680  1.00  0.00           H  
HETATM   35  H   UNL     1       3.308   3.820  -0.015  1.00  0.00           H  
HETATM   36  H   UNL     1       3.868   2.697  -1.280  1.00  0.00           H  
HETATM   37  H   UNL     1       2.759  -1.066   0.078  1.00  0.00           H  
HETATM   38  H   UNL     1       2.199   0.052   1.347  1.00  0.00           H  
HETATM   39  H   UNL     1       2.277   0.545  -1.666  1.00  0.00           H  
HETATM   40  H   UNL     1       0.839   0.478  -0.616  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.395   1.464  -0.376  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.357   3.676   1.093  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.549   4.028  -0.641  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.051   2.705  -2.019  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.075   1.304  -2.079  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.625   0.476   2.080  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.596   1.870   2.139  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.706  -0.022   0.932  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.893   0.324  -0.803  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.904  -1.842  -0.118  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.229  -2.286  -1.709  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.478  -3.957   0.648  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.766  -4.394  -0.934  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.280  -4.179   1.424  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.582  -3.936  -0.211  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.114  -1.814   0.831  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.665  -1.820   1.732  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    8    3    1    1                                       
CONECT    3    2    7    7    4                                       
CONECT    4    3    5                                                 
CONECT    5    6    6    4   30                                       
CONECT    6    7    5    5   31                                       
CONECT    7    3    3    6   32                                       
CONECT    8    9   11    2                                            
CONECT    9   10    8   33   34                                       
CONECT   10   13    9   35   36                                       
CONECT   11   12    8   37   38                                       
CONECT   12   13   11   39   40                                       
CONECT   13   14   10   12                                            
CONECT   14   15   15   16   13                                       
CONECT   15   14   14                                                 
CONECT   16   17   14   41                                            
CONECT   17   18   16   42   43                                       
CONECT   18   19   19   17   23                                       
CONECT   19   20   18   18   44                                       
CONECT   20   21   21   19   45                                       
CONECT   21   24   20   20   22                                       
CONECT   22   21   23   23   46                                       
CONECT   23   22   22   18   47                                       
CONECT   24   25   21   48   49                                       
CONECT   25   29   26   24                                            
CONECT   26   27   25   50   51                                       
CONECT   27   28   26   52   53                                       
CONECT   28   27   29   54   55                                       
CONECT   29   28   25   56   57                                       
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
