COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.913   0.899   1.162  1.00  0.00           C  
HETATM    2  C   UNL     1       9.662  -2.368  -0.499  1.00  0.00           C  
HETATM    3  C   UNL     1      10.474  -0.427   0.649  1.00  0.00           C  
HETATM    4  C   UNL     1       3.118   1.911  -0.247  1.00  0.00           C  
HETATM    5  C   UNL     1       5.813  -0.696  -0.134  1.00  0.00           C  
HETATM    6  C   UNL     1       1.975   1.119  -0.179  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.487   0.883  -0.125  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.088  -0.033  -1.160  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.952   0.751  -1.227  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.708   1.764  -0.159  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.938   1.215  -0.105  1.00  0.00           N  
HETATM   12  C   UNL     1       8.187  -0.521  -0.093  1.00  0.00           C  
HETATM   13  C   UNL     1       4.364   1.325  -0.236  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.364   1.217  -0.066  1.00  0.00           C  
HETATM   15  C   UNL     1       3.330  -0.857  -0.078  1.00  0.00           C  
HETATM   16  C   UNL     1      10.691  -1.688   0.126  1.00  0.00           C  
HETATM   17  C   UNL     1       2.087  -0.266  -0.095  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.125   2.072  -0.139  1.00  0.00           C  
HETATM   19  O   UNL     1       5.913  -1.906  -0.056  1.00  0.00           O  
HETATM   20  N   UNL     1       6.921   0.068  -0.204  1.00  0.00           N  
HETATM   21  C   UNL     1       8.412  -1.788  -0.610  1.00  0.00           C  
HETATM   22  C   UNL     1       9.222   0.161   0.547  1.00  0.00           C  
HETATM   23  N   UNL     1       9.002   1.439   1.071  1.00  0.00           N  
HETATM   24  C   UNL     1       4.480  -0.065  -0.151  1.00  0.00           C  
HETATM   25  N   UNL     1       0.718   1.714  -0.196  1.00  0.00           N  
HETATM   26  O   UNL     1      -1.585   2.968  -0.236  1.00  0.00           O  
HETATM   27  C   UNL     1      -7.641  -0.346   0.068  1.00  0.00           C  
HETATM   28  S   UNL     1      -9.089  -1.346   0.153  1.00  0.00           S  
HETATM   29  O   UNL     1      -9.745  -1.209  -1.099  1.00  0.00           O  
HETATM   30  N   UNL     1      -8.592  -2.922   0.251  1.00  0.00           N  
HETATM   31  O   UNL     1      -9.712  -1.044   1.394  1.00  0.00           O  
HETATM   32  C   UNL     1      -7.049   0.115   1.229  1.00  0.00           C  
HETATM   33  H   UNL     1      -5.451   1.259   2.070  1.00  0.00           H  
HETATM   34  H   UNL     1       9.836  -3.353  -0.906  1.00  0.00           H  
HETATM   35  H   UNL     1      11.280   0.101   1.137  1.00  0.00           H  
HETATM   36  H   UNL     1       3.028   2.985  -0.313  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.478   0.310   0.803  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.507   0.200  -0.974  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.545  -0.401  -2.067  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.520   0.996  -2.187  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.036   0.252  -0.044  1.00  0.00           H  
HETATM   42  H   UNL     1       5.250   1.939  -0.293  1.00  0.00           H  
HETATM   43  H   UNL     1       3.416  -1.931  -0.013  1.00  0.00           H  
HETATM   44  H   UNL     1      11.667  -2.144   0.206  1.00  0.00           H  
HETATM   45  H   UNL     1       1.198  -0.877  -0.038  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.105   2.755   0.710  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.134   2.645  -1.066  1.00  0.00           H  
HETATM   48  H   UNL     1       6.842   1.027  -0.332  1.00  0.00           H  
HETATM   49  H   UNL     1       7.610  -2.322  -1.099  1.00  0.00           H  
HETATM   50  H   UNL     1       8.128   1.852   0.989  1.00  0.00           H  
HETATM   51  H   UNL     1       9.723   1.912   1.515  1.00  0.00           H  
HETATM   52  H   UNL     1       0.638   2.679  -0.254  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.134  -3.574   0.723  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.758  -3.194  -0.163  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.475  -0.138   2.189  1.00  0.00           H  
CONECT    1   14   14   32   33                                       
CONECT    2   21   21   16   34                                       
CONECT    3   22   16   16   35                                       
CONECT    4    6    6   13   36                                       
CONECT    5   19   19   24   20                                       
CONECT    6   17   25    4    4                                       
CONECT    7   25   10   37   38                                       
CONECT    8    9    9   27   39                                       
CONECT    9   14    8    8   40                                       
CONECT   10    7   11   26   26                                       
CONECT   11   10   18   41                                            
CONECT   12   20   22   22   21                                       
CONECT   13   24   24    4   42                                       
CONECT   14   18    1    1    9                                       
CONECT   15   17   17   24   43                                       
CONECT   16    3    3    2   44                                       
CONECT   17   15   15    6   45                                       
CONECT   18   11   14   46   47                                       
CONECT   19    5    5                                                 
CONECT   20    5   12   48                                            
CONECT   21   12    2    2   49                                       
CONECT   22   23   12   12    3                                       
CONECT   23   22   50   51                                            
CONECT   24   15    5   13   13                                       
CONECT   25    6    7   52                                            
CONECT   26   10   10                                                 
CONECT   27   32   32    8   28                                       
CONECT   28   27   30   29   29                                       
CONECT   28   31   31                                                 
CONECT   29   28   28                                                 
CONECT   30   28   53   54                                            
CONECT   31   28   28                                                 
CONECT   32    1   27   27   55                                       
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   11                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   25                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   32                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
