COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.992  -1.907   1.841  1.00  0.00           O  
HETATM    2  C   UNL     1      -7.889  -0.918   1.147  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.724   0.301   1.444  1.00  0.00           C  
HETATM    4  N   UNL     1      -7.023  -0.906   0.115  1.00  0.00           N  
HETATM    5  C   UNL     1      -6.197  -2.084  -0.183  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.728  -1.655  -0.241  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.574  -0.510  -1.244  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.409   0.688  -0.786  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.891   0.283  -0.738  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.164  -0.119  -1.327  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.535   0.748  -0.506  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.236   0.836  -0.918  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.085  -0.014  -2.031  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.237  -0.585  -2.266  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.177   1.675  -0.305  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.397   3.020  -0.049  1.00  0.00           C  
HETATM   17  N   UNL     1       0.544   3.771   0.497  1.00  0.00           N  
HETATM   18  C   UNL     1       1.733   3.296   0.830  1.00  0.00           C  
HETATM   19  N   UNL     1       2.678   4.141   1.402  1.00  0.00           N  
HETATM   20  C   UNL     1       2.048   1.954   0.612  1.00  0.00           C  
HETATM   21  C   UNL     1       1.073   1.121   0.038  1.00  0.00           C  
HETATM   22  O   UNL     1       3.142   1.200   0.839  1.00  0.00           O  
HETATM   23  C   UNL     1       2.938  -0.072   0.442  1.00  0.00           C  
HETATM   24  C   UNL     1       1.681  -0.200  -0.057  1.00  0.00           C  
HETATM   25  C   UNL     1       3.928  -1.163   0.544  1.00  0.00           C  
HETATM   26  C   UNL     1       5.228  -0.983   0.071  1.00  0.00           C  
HETATM   27  S   UNL     1       6.100   0.344  -0.701  1.00  0.00           S  
HETATM   28  N   UNL     1       7.457  -0.427  -0.833  1.00  0.00           N  
HETATM   29  N   UNL     1       7.350  -1.601  -0.357  1.00  0.00           N  
HETATM   30  C   UNL     1       6.185  -2.011   0.160  1.00  0.00           C  
HETATM   31  C   UNL     1       5.793  -3.231   0.743  1.00  0.00           C  
HETATM   32  C   UNL     1       4.511  -3.400   1.207  1.00  0.00           C  
HETATM   33  C   UNL     1       3.575  -2.382   1.120  1.00  0.00           C  
HETATM   34  H   UNL     1      -8.186   0.951   2.134  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.923   0.840   0.517  1.00  0.00           H  
HETATM   36  H   UNL     1      -9.668  -0.006   1.895  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.330  -2.831   0.600  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.493  -2.504  -1.145  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.408  -1.320   0.746  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.114  -2.499  -0.555  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.918  -0.838  -2.225  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.083   1.001   0.205  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.281   1.511  -1.489  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.242   0.052  -1.744  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.481   1.099  -0.321  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.978   1.276   0.326  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.174  -0.170  -2.590  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.350   3.461  -0.301  1.00  0.00           H  
HETATM   49  H   UNL     1       2.464   5.075   1.556  1.00  0.00           H  
HETATM   50  H   UNL     1       3.552   3.797   1.648  1.00  0.00           H  
HETATM   51  H   UNL     1       1.228  -1.098  -0.451  1.00  0.00           H  
HETATM   52  H   UNL     1       6.504  -4.040   0.826  1.00  0.00           H  
HETATM   53  H   UNL     1       4.230  -4.342   1.654  1.00  0.00           H  
HETATM   54  H   UNL     1       2.572  -2.536   1.491  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1    4                                       
CONECT    3    2   34   35   36                                       
CONECT    4    2    5    9                                            
CONECT    5    4    6   37   38                                       
CONECT    6    5    7   39   40                                       
CONECT    7    6    8   10   41                                       
CONECT    8    9    7   42   43                                       
CONECT    9    4    8   44   45                                       
CONECT   10   14    7   11                                            
CONECT   11   10   12   12   46                                       
CONECT   12   13   11   11   15                                       
CONECT   13   14   14   12   47                                       
CONECT   14   13   13   10                                            
CONECT   15   12   21   21   16                                       
CONECT   16   15   17   17   48                                       
CONECT   17   16   16   18                                            
CONECT   18   20   20   17   19                                       
CONECT   19   18   49   50                                            
CONECT   20   21   22   18   18                                       
CONECT   21   24   15   15   20                                       
CONECT   22   23   20                                                 
CONECT   23   25   24   24   22                                       
CONECT   24   23   23   21   51                                       
CONECT   25   33   23   26   26                                       
CONECT   26   25   25   30   27                                       
CONECT   27   26   28                                                 
CONECT   28   29   29   27                                            
CONECT   29   30   28   28                                            
CONECT   30   31   31   26   29                                       
CONECT   31   32   30   30   52                                       
CONECT   32   33   33   31   53                                       
CONECT   33   32   32   25   54                                       
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   11                                                      
CONECT   47   13                                                      
CONECT   48   16                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   24                                                      
CONECT   52   31                                                      
CONECT   53   32                                                      
CONECT   54   33                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
