COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.619  -1.144   1.054  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.700  -0.248   0.640  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.667  -0.820  -0.487  1.00  0.00           C  
HETATM    4  C   UNL     1       0.199   0.913  -0.981  1.00  0.00           C  
HETATM    5  C   UNL     1       2.383   1.142  -0.027  1.00  0.00           C  
HETATM    6  C   UNL     1       0.448   1.493   1.339  1.00  0.00           C  
HETATM    7  C   UNL     1       4.696  -1.467  -0.944  1.00  0.00           C  
HETATM    8  C   UNL     1       6.385  -2.642   0.472  1.00  0.00           C  
HETATM    9  C   UNL     1       4.959  -0.866   1.498  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.260   0.330  -0.536  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.943   0.147  -0.928  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.109  -0.601  -0.110  1.00  0.00           C  
HETATM   13  N   UNL     1      -7.880  -0.958   1.390  1.00  0.00           N  
HETATM   14  N   UNL     1      -3.846   0.255   0.079  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.515   0.266  -0.130  1.00  0.00           C  
HETATM   16  S   UNL     1      -1.782  -0.973  -1.056  1.00  0.00           S  
HETATM   17  N   UNL     1      -1.760   1.255   0.390  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.369   1.220   0.249  1.00  0.00           C  
HETATM   19  C   UNL     1       1.573   0.875  -1.115  1.00  0.00           C  
HETATM   20  C   UNL     1       1.821   1.448   1.199  1.00  0.00           C  
HETATM   21  S   UNL     1       4.136   1.086  -0.202  1.00  0.00           S  
HETATM   22  O   UNL     1       4.409   1.306  -1.579  1.00  0.00           O  
HETATM   23  O   UNL     1       4.668   1.898   0.835  1.00  0.00           O  
HETATM   24  N   UNL     1       4.612  -0.465   0.128  1.00  0.00           N  
HETATM   25  C   UNL     1       6.095  -2.092  -0.926  1.00  0.00           C  
HETATM   26  C   UNL     1       6.354  -1.498   1.489  1.00  0.00           C  
HETATM   27  H   UNL     1      -5.977  -1.732   1.694  1.00  0.00           H  
HETATM   28  H   UNL     1      -9.727  -0.117   0.948  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.330  -1.779  -0.095  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.570  -0.817  -1.573  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.434   0.700  -1.830  1.00  0.00           H  
HETATM   32  H   UNL     1       0.010   1.732   2.296  1.00  0.00           H  
HETATM   33  H   UNL     1       3.947  -2.241  -0.780  1.00  0.00           H  
HETATM   34  H   UNL     1       4.520  -0.987  -1.907  1.00  0.00           H  
HETATM   35  H   UNL     1       5.630  -3.382   0.735  1.00  0.00           H  
HETATM   36  H   UNL     1       7.370  -3.109   0.481  1.00  0.00           H  
HETATM   37  H   UNL     1       4.959   0.010   2.147  1.00  0.00           H  
HETATM   38  H   UNL     1       4.230  -1.590   1.862  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.937   0.910  -1.146  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.571   0.587  -1.841  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.261   0.957   0.603  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.181   1.989   0.863  1.00  0.00           H  
HETATM   43  H   UNL     1       2.015   0.637  -2.072  1.00  0.00           H  
HETATM   44  H   UNL     1       2.457   1.656   2.046  1.00  0.00           H  
HETATM   45  H   UNL     1       6.140  -2.903  -1.653  1.00  0.00           H  
HETATM   46  H   UNL     1       6.835  -1.333  -1.180  1.00  0.00           H  
HETATM   47  H   UNL     1       6.585  -1.887   2.480  1.00  0.00           H  
HETATM   48  H   UNL     1       7.093  -0.746   1.212  1.00  0.00           H  
CONECT    1   12   13   13   27                                       
CONECT    2   10   10   13   28                                       
CONECT    3   14   12   29   30                                       
CONECT    4   19   18   18   31                                       
CONECT    5   21   19   19   20                                       
CONECT    6   20   20   18   32                                       
CONECT    7   25   24   33   34                                       
CONECT    8   25   26   35   36                                       
CONECT    9   26   24   37   38                                       
CONECT   10   11    2    2   39                                       
CONECT   11   12   12   10   40                                       
CONECT   12    3   11   11    1                                       
CONECT   13    1    1    2                                            
CONECT   14   15    3   41                                            
CONECT   15   17   16   16   14                                       
CONECT   16   15   15                                                 
CONECT   17   18   15   42                                            
CONECT   18    4    4    6   17                                       
CONECT   19    5    5    4   43                                       
CONECT   20    5    6    6   44                                       
CONECT   21   24   23   23   22                                       
CONECT   21   22    5                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24    7    9   21                                            
CONECT   25    8    7   45   46                                       
CONECT   26    8    9   47   48                                       
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   14                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
