COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.732   1.064   0.003  1.00  0.00           C  
HETATM    2  C   UNL     1       3.397   2.546   1.624  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.969   1.501   0.368  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.321   0.222  -0.013  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.330  -0.671  -0.396  1.00  0.00           C  
HETATM    6  C   UNL     1       4.264   0.798  -1.682  1.00  0.00           C  
HETATM    7  C   UNL     1       3.458   0.754  -0.562  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.424  -1.268   0.278  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.706  -1.594   0.162  1.00  0.00           N  
HETATM   10  N   UNL     1      -2.631  -0.709   0.080  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.374   0.596   0.107  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.063   1.045   0.226  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.051   0.091   0.315  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.414   1.510   0.016  1.00  0.00           N  
HETATM   15  N   UNL     1       1.278   0.465   0.435  1.00  0.00           N  
HETATM   16  C   UNL     1       0.604  -2.322   0.374  1.00  0.00           C  
HETATM   17  N   UNL     1       0.263  -3.614   0.196  1.00  0.00           N  
HETATM   18  O   UNL     1       1.758  -2.025   0.615  1.00  0.00           O  
HETATM   19  C   UNL     1       1.284  -4.661   0.291  1.00  0.00           C  
HETATM   20  C   UNL     1       2.097   0.511  -0.696  1.00  0.00           C  
HETATM   21  C   UNL     1       1.552   0.312  -1.959  1.00  0.00           C  
HETATM   22  C   UNL     1       2.364   0.358  -3.075  1.00  0.00           C  
HETATM   23  C   UNL     1       3.718   0.601  -2.937  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.015  -0.241  -0.388  1.00  0.00           C  
HETATM   25  N   UNL     1      -5.706   1.884   0.366  1.00  0.00           N  
HETATM   26  S   UNL     1       4.155   1.005   1.037  1.00  0.00           S  
HETATM   27  O   UNL     1       5.541   1.195   0.789  1.00  0.00           O  
HETATM   28  O   UNL     1       3.691  -0.101   1.799  1.00  0.00           O  
HETATM   29  H   UNL     1       2.315   2.425   1.667  1.00  0.00           H  
HETATM   30  H   UNL     1       3.776   2.781   2.619  1.00  0.00           H  
HETATM   31  H   UNL     1       3.645   3.357   0.940  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.737   2.199   0.667  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.358  -0.082  -0.008  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.579  -1.677  -0.699  1.00  0.00           H  
HETATM   35  H   UNL     1       5.322   0.992  -1.578  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.836   2.101   0.249  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.223   2.459  -0.038  1.00  0.00           H  
HETATM   38  H   UNL     1       1.640   0.697   1.305  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.658  -3.851   0.004  1.00  0.00           H  
HETATM   40  H   UNL     1       2.055  -4.486  -0.459  1.00  0.00           H  
HETATM   41  H   UNL     1       1.732  -4.641   1.285  1.00  0.00           H  
HETATM   42  H   UNL     1       0.824  -5.634   0.119  1.00  0.00           H  
HETATM   43  H   UNL     1       0.494   0.123  -2.067  1.00  0.00           H  
HETATM   44  H   UNL     1       1.941   0.204  -4.056  1.00  0.00           H  
HETATM   45  H   UNL     1       4.351   0.636  -3.811  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.219  -0.910  -0.680  1.00  0.00           H  
CONECT    1   25   25   14   24                                       
CONECT    2   26   29   30   31                                       
CONECT    3    4    4   25   32                                       
CONECT    4    3    3    5   33                                       
CONECT    5    4   24   24   34                                       
CONECT    6   23   23    7   35                                       
CONECT    7    6   26   20   20                                       
CONECT    8   13   16    9    9                                       
CONECT    9    8    8   10                                            
CONECT   10   11   11    9                                            
CONECT   11   12   14   10   10                                       
CONECT   12   13   13   11   36                                       
CONECT   13   15   12   12    8                                       
CONECT   14    1   11   37                                            
CONECT   15   20   13   38                                            
CONECT   16   18   18    8   17                                       
CONECT   17   16   19   39                                            
CONECT   18   16   16                                                 
CONECT   19   17   40   41   42                                       
CONECT   20    7    7   21   15                                       
CONECT   21   22   22   20   43                                       
CONECT   22   23   21   21   44                                       
CONECT   23    6    6   22   45                                       
CONECT   24    1    5    5   46                                       
CONECT   25    3    1    1                                            
CONECT   26   28   28    2    7                                       
CONECT   26   27   27                                                 
CONECT   27   26   26                                                 
CONECT   28   26   26                                                 
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   17                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
