COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.115  -1.830   0.092  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.815   0.137  -0.151  1.00  0.00           C  
HETATM    3  C   UNL     1       5.858  -2.016  -0.453  1.00  0.00           C  
HETATM    4  C   UNL     1       4.960  -0.965  -0.505  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.306   2.449  -1.272  1.00  0.00           C  
HETATM    6  C   UNL     1       5.321   0.279  -0.009  1.00  0.00           C  
HETATM    7  C   UNL     1       3.096   1.103  -0.209  1.00  0.00           C  
HETATM    8  C   UNL     1       0.857   1.885  -0.418  1.00  0.00           C  
HETATM    9  C   UNL     1       0.035   2.674  -1.219  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.893   1.415  -0.512  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.499   0.066   0.327  1.00  0.00           C  
HETATM   12  N   UNL     1       4.413   1.346  -0.060  1.00  0.00           N  
HETATM   13  N   UNL     1       2.236   2.128  -0.372  1.00  0.00           N  
HETATM   14  C   UNL     1       7.481  -0.592   0.588  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.190   1.051  -0.442  1.00  0.00           N  
HETATM   16  C   UNL     1       8.260   1.801   1.577  1.00  0.00           C  
HETATM   17  O   UNL     1       6.946   1.683   1.029  1.00  0.00           O  
HETATM   18  C   UNL     1       6.588   0.465   0.540  1.00  0.00           C  
HETATM   19 CL   UNL     1       5.405  -3.573  -1.075  1.00  0.00          Cl  
HETATM   20  O   UNL     1       2.683  -0.041  -0.197  1.00  0.00           O  
HETATM   21  N   UNL     1      -4.781  -0.425   0.505  1.00  0.00           N  
HETATM   22  O   UNL     1      -5.623   1.075  -0.899  1.00  0.00           O  
HETATM   23  C   UNL     1      -7.184  -0.387   0.040  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.258   0.192  -0.638  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.533  -0.302  -0.456  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.748  -1.370   0.396  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.689  -1.950   1.071  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.408  -1.469   0.894  1.00  0.00           C  
HETATM   29  S   UNL     1      -2.062  -0.569   1.116  1.00  0.00           S  
HETATM   30  C   UNL     1      -1.064   0.629   0.294  1.00  0.00           C  
HETATM   31  C   UNL     1       0.307   0.868   0.341  1.00  0.00           C  
HETATM   32  H   UNL     1       7.812  -2.654   0.134  1.00  0.00           H  
HETATM   33  H   UNL     1       3.979  -1.112  -0.932  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.928   3.071  -1.899  1.00  0.00           H  
HETATM   35  H   UNL     1       0.467   3.473  -1.804  1.00  0.00           H  
HETATM   36  H   UNL     1       4.733   2.258   0.013  1.00  0.00           H  
HETATM   37  H   UNL     1       2.572   3.034  -0.458  1.00  0.00           H  
HETATM   38  H   UNL     1       8.462  -0.451   1.017  1.00  0.00           H  
HETATM   39  H   UNL     1       8.370   1.107   2.411  1.00  0.00           H  
HETATM   40  H   UNL     1       8.997   1.565   0.809  1.00  0.00           H  
HETATM   41  H   UNL     1       8.417   2.820   1.930  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.935  -1.174   1.103  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.091   1.026  -1.304  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.364   0.146  -0.980  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.749  -1.751   0.539  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.864  -2.783   1.735  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.582  -1.922   1.422  1.00  0.00           H  
HETATM   48  H   UNL     1       0.941   0.257   0.966  1.00  0.00           H  
CONECT    1    3    3   14   32                                       
CONECT    2   23   22   22   21                                       
CONECT    3    4   19    1    1                                       
CONECT    4    6    6    3   33                                       
CONECT    5   10    9    9   34                                       
CONECT    6   12    4    4   18                                       
CONECT    7   20   20   13   12                                       
CONECT    8   31   31    9   13                                       
CONECT    9    5    5    8   35                                       
CONECT   10   15   30   30    5                                       
CONECT   11   21   29   15   15                                       
CONECT   12    7    6   36                                            
CONECT   13    8    7   37                                            
CONECT   14   18   18    1   38                                       
CONECT   15   11   11   10                                            
CONECT   16   17   39   40   41                                       
CONECT   17   18   16                                                 
CONECT   18    6   17   14   14                                       
CONECT   19    3                                                      
CONECT   20    7    7                                                 
CONECT   21    2   11   42                                            
CONECT   22    2    2                                                 
CONECT   23   28   28   24    2                                       
CONECT   24   25   25   23   43                                       
CONECT   25   26   24   24   44                                       
CONECT   26   27   27   25   45                                       
CONECT   27   26   26   28   46                                       
CONECT   28   27   23   23   47                                       
CONECT   29   11   30                                                 
CONECT   30   29   10   10   31                                       
CONECT   31   30    8    8   48                                       
CONECT   32    1                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    9                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   21                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   31                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
