COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.439  -1.309  -0.089  1.00  0.00           C  
HETATM    2  C   UNL     1       0.046   0.167  -0.516  1.00  0.00           C  
HETATM    3  C   UNL     1       2.107  -0.718  -0.333  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.633   0.001   0.450  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.448   0.153  -0.712  1.00  0.00           C  
HETATM    6  O   UNL     1       6.066   0.399   0.282  1.00  0.00           O  
HETATM    7  O   UNL     1      -7.730  -0.027  -0.068  1.00  0.00           O  
HETATM    8  C   UNL     1       3.132  -1.687  -0.292  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.667  -1.212   0.076  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.292  -1.198   0.251  1.00  0.00           C  
HETATM   11  C   UNL     1       4.770   0.036   0.081  1.00  0.00           C  
HETATM   12  C   UNL     1       6.523   0.455   1.635  1.00  0.00           C  
HETATM   13  C   UNL     1       3.778   0.999   0.045  1.00  0.00           C  
HETATM   14  C   UNL     1       4.409   3.057  -0.967  1.00  0.00           C  
HETATM   15  C   UNL     1       2.447   0.626  -0.161  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.343   1.187   0.476  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.714   1.180   0.303  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.381  -0.018   0.102  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.397   1.236  -0.028  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.139   0.014   0.646  1.00  0.00           C  
HETATM   21  C   UNL     1       5.012  -3.614  -0.222  1.00  0.00           C  
HETATM   22  N   UNL     1       0.782  -0.880  -0.520  1.00  0.00           N  
HETATM   23  O   UNL     1      -6.316  -2.391  -0.119  1.00  0.00           O  
HETATM   24  O   UNL     1       5.417  -2.254  -0.047  1.00  0.00           O  
HETATM   25  O   UNL     1       4.098   2.311   0.211  1.00  0.00           O  
HETATM   26  S   UNL     1       0.969   1.579  -0.262  1.00  0.00           S  
HETATM   27  H   UNL     1      -1.760   1.084  -1.185  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.723  -0.688  -1.348  1.00  0.00           H  
HETATM   29  H   UNL     1       2.890  -2.731  -0.423  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.735  -2.123   0.231  1.00  0.00           H  
HETATM   31  H   UNL     1       5.911   1.162   2.195  1.00  0.00           H  
HETATM   32  H   UNL     1       6.442  -0.533   2.086  1.00  0.00           H  
HETATM   33  H   UNL     1       7.563   0.780   1.654  1.00  0.00           H  
HETATM   34  H   UNL     1       4.624   4.091  -0.697  1.00  0.00           H  
HETATM   35  H   UNL     1       5.282   2.620  -1.454  1.00  0.00           H  
HETATM   36  H   UNL     1       3.560   3.029  -1.650  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.824   2.122   0.631  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.266   2.108   0.324  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.227   1.707   0.940  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.007   1.878  -0.818  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.467   1.086  -0.177  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.863   0.855   1.282  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.826  -0.917   1.119  1.00  0.00           H  
HETATM   44  H   UNL     1       4.307  -3.887   0.562  1.00  0.00           H  
HETATM   45  H   UNL     1       4.535  -3.728  -1.196  1.00  0.00           H  
HETATM   46  H   UNL     1       5.886  -4.263  -0.168  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.614  -2.816   0.697  1.00  0.00           H  
CONECT    1   24    8    8   11                                       
CONECT    2   22   22    5   26                                       
CONECT    3    8   22   15   15                                       
CONECT    4   16   20   10   10                                       
CONECT    5    2   20   27   28                                       
CONECT    6   12   11                                                 
CONECT    7   18   19                                                 
CONECT    8    1    1    3   29                                       
CONECT    9   18   18   10   23                                       
CONECT   10    4    4    9   30                                       
CONECT   11    1    6   13   13                                       
CONECT   12    6   31   32   33                                       
CONECT   13   11   11   15   25                                       
CONECT   14   25   34   35   36                                       
CONECT   15    3    3   13   26                                       
CONECT   16   17   17    4   37                                       
CONECT   17   16   16   18   38                                       
CONECT   18   17    7    9    9                                       
CONECT   19    7   39   40   41                                       
CONECT   20    5    4   42   43                                       
CONECT   21   24   44   45   46                                       
CONECT   22    3    2    2                                            
CONECT   23    9   47                                                 
CONECT   24   21    1                                                 
CONECT   25   13   14                                                 
CONECT   26   15    2                                                 
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    8                                                      
CONECT   30   10                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
