COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.686  -0.185   0.856  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.160   0.172  -0.958  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.217   1.075  -1.712  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.828   0.938  -1.144  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.962  -0.010  -1.658  1.00  0.00           C  
HETATM    6  O   UNL     1       3.315   2.143   1.709  1.00  0.00           O  
HETATM    7  S   UNL     1       3.522   1.766   0.355  1.00  0.00           S  
HETATM    8  O   UNL     1       4.171   2.601  -0.594  1.00  0.00           O  
HETATM    9  C   UNL     1       4.429   0.256   0.393  1.00  0.00           C  
HETATM   10  C   UNL     1       4.369  -0.557   1.509  1.00  0.00           C  
HETATM   11  C   UNL     1       5.079  -1.743   1.543  1.00  0.00           C  
HETATM   12  C   UNL     1       5.852  -2.119   0.457  1.00  0.00           C  
HETATM   13  O   UNL     1       6.551  -3.286   0.489  1.00  0.00           O  
HETATM   14  C   UNL     1       5.913  -1.301  -0.667  1.00  0.00           C  
HETATM   15  O   UNL     1       6.670  -1.666  -1.735  1.00  0.00           O  
HETATM   16  C   UNL     1       5.195  -0.116  -0.697  1.00  0.00           C  
HETATM   17  N   UNL     1       2.027   1.424  -0.269  1.00  0.00           N  
HETATM   18  C   UNL     1       1.110   0.547   0.464  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.279   0.685  -0.104  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.688  -0.137  -1.138  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.143   1.636   0.406  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.417   1.762  -0.114  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.819   0.644   0.162  1.00  0.00           C  
HETATM   24  O   UNL     1      -7.335   0.278   1.957  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.363  -1.126  -1.388  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.234  -1.954  -0.706  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.894  -1.490   0.420  1.00  0.00           C  
HETATM   28  O   UNL     1      -7.744  -2.307   1.098  1.00  0.00           O  
HETATM   29  H   UNL     1      -4.209   0.794  -2.765  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.549   2.109  -1.614  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.282  -0.652  -2.466  1.00  0.00           H  
HETATM   32  H   UNL     1       3.767  -0.265   2.357  1.00  0.00           H  
HETATM   33  H   UNL     1       5.031  -2.376   2.417  1.00  0.00           H  
HETATM   34  H   UNL     1       6.060  -4.047   0.152  1.00  0.00           H  
HETATM   35  H   UNL     1       6.196  -2.196  -2.391  1.00  0.00           H  
HETATM   36  H   UNL     1       5.237   0.519  -1.569  1.00  0.00           H  
HETATM   37  H   UNL     1       1.758   1.804  -1.120  1.00  0.00           H  
HETATM   38  H   UNL     1       1.441  -0.487   0.367  1.00  0.00           H  
HETATM   39  H   UNL     1       1.102   0.828   1.517  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.012  -0.877  -1.539  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.822   2.280   1.212  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.092   2.506   0.284  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.659   1.659   0.495  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.192   0.684   1.767  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.846  -1.490  -2.263  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.391  -2.968  -1.044  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.659  -2.268   0.788  1.00  0.00           H  
CONECT    1   27   27   24   23                                       
CONECT    2   23   23    3   25                                       
CONECT    3    2    4   29   30                                       
CONECT    4    3    5    5   22                                       
CONECT    5    4    4   20   31                                       
CONECT    6    7    7                                                 
CONECT    7   17    9    8    8                                       
CONECT    7    6    6                                                 
CONECT    8    7    7                                                 
CONECT    9    7   16   16   10                                       
CONECT   10   11   11    9   32                                       
CONECT   11   12   10   10   33                                       
CONECT   12   14   14   13   11                                       
CONECT   13   12   34                                                 
CONECT   14   16   15   12   12                                       
CONECT   15   14   35                                                 
CONECT   16    9    9   14   36                                       
CONECT   17   18    7   37                                            
CONECT   18   19   17   38   39                                       
CONECT   19   20   20   18   21                                       
CONECT   20    5   19   19   40                                       
CONECT   21   19   22   22   41                                       
CONECT   22   21   21    4   42                                       
CONECT   23    1    2    2   43                                       
CONECT   24    1   44                                                 
CONECT   25    2   26   26   45                                       
CONECT   26   25   25   27   46                                       
CONECT   27   28    1    1   26                                       
CONECT   28   27   47                                                 
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   13                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   28                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
