COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.833  -1.371   0.521  1.00  0.00           C  
HETATM    2  O   UNL     1       6.845  -2.160   0.212  1.00  0.00           O  
HETATM    3  C   UNL     1       3.174  -1.076  -0.019  1.00  0.00           C  
HETATM    4  C   UNL     1       6.171  -0.018  -1.012  1.00  0.00           C  
HETATM    5  C   UNL     1       6.060   0.387  -2.308  1.00  0.00           C  
HETATM    6  C   UNL     1       6.384   1.689  -2.683  1.00  0.00           C  
HETATM    7  C   UNL     1       6.820   2.598  -1.767  1.00  0.00           C  
HETATM    8  C   UNL     1       6.947   2.217  -0.422  1.00  0.00           C  
HETATM    9  C   UNL     1       6.612   0.891  -0.040  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.450   0.401   0.384  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.729   0.936  -0.144  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.664   1.497   0.724  1.00  0.00           C  
HETATM   13  C   UNL     1     -10.116   1.936  -1.129  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.189   1.385  -1.996  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.056  -0.593   1.360  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.753  -1.133   1.891  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.378  -1.299   1.451  1.00  0.00           C  
HETATM   18  C   UNL     1       0.727  -0.921   0.463  1.00  0.00           C  
HETATM   19  C   UNL     1       2.069  -1.454   0.970  1.00  0.00           C  
HETATM   20  S   UNL     1       5.756  -1.669  -0.559  1.00  0.00           S  
HETATM   21  O   UNL     1       5.293  -2.306  -1.742  1.00  0.00           O  
HETATM   22  C   UNL     1       6.748   0.535   1.314  1.00  0.00           C  
HETATM   23  C   UNL     1       7.192   1.474   2.195  1.00  0.00           C  
HETATM   24  N   UNL     1       7.498   2.706   1.811  1.00  0.00           N  
HETATM   25  C   UNL     1       7.386   3.111   0.568  1.00  0.00           C  
HETATM   26  N   UNL     1       4.458  -1.586   0.466  1.00  0.00           N  
HETATM   27  N   UNL     1      -1.666  -0.788   0.965  1.00  0.00           N  
HETATM   28  C   UNL     1      -4.469   0.680   1.712  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.661   1.180   1.229  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.026  -0.878   0.026  1.00  0.00           C  
HETATM   31 CL   UNL     1      -7.001  -1.855  -1.026  1.00  0.00          Cl  
HETATM   32  C   UNL     1      -7.998   0.885  -1.510  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.852   1.994   0.228  1.00  0.00           C  
HETATM   34  H   UNL     1      -4.506  -2.363   0.249  1.00  0.00           H  
HETATM   35  H   UNL     1       2.954  -1.512  -0.993  1.00  0.00           H  
HETATM   36  H   UNL     1       3.224   0.009  -0.109  1.00  0.00           H  
HETATM   37  H   UNL     1       5.716  -0.312  -3.056  1.00  0.00           H  
HETATM   38  H   UNL     1       6.287   1.983  -3.718  1.00  0.00           H  
HETATM   39  H   UNL     1       7.068   3.603  -2.073  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.459   1.542   1.784  1.00  0.00           H  
HETATM   41  H   UNL     1     -11.047   2.326  -1.513  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.400   1.342  -3.054  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.550  -0.695   2.868  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.820  -2.217   1.984  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.429  -2.384   1.542  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.159  -0.863   2.426  1.00  0.00           H  
HETATM   47  H   UNL     1       0.508  -1.357  -0.512  1.00  0.00           H  
HETATM   48  H   UNL     1       0.778   0.164   0.372  1.00  0.00           H  
HETATM   49  H   UNL     1       2.018  -2.539   1.060  1.00  0.00           H  
HETATM   50  H   UNL     1       2.288  -1.018   1.944  1.00  0.00           H  
HETATM   51  H   UNL     1       6.504  -0.462   1.649  1.00  0.00           H  
HETATM   52  H   UNL     1       7.299   1.207   3.236  1.00  0.00           H  
HETATM   53  H   UNL     1       7.648   4.125   0.303  1.00  0.00           H  
HETATM   54  H   UNL     1       4.549  -1.874   1.388  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.625   0.209   0.811  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.858   1.283   2.367  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.983   2.173   1.505  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.275   0.456  -2.188  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.579   2.424   0.900  1.00  0.00           H  
CONECT    1   15   15   30   34                                       
CONECT    2   20   20                                                 
CONECT    3   26   19   35   36                                       
CONECT    4    9    9    5   20                                       
CONECT    5    4    6    6   37                                       
CONECT    6    7    5    5   38                                       
CONECT    7    8    8    6   39                                       
CONECT    8   25    9    7    7                                       
CONECT    9   22    8    4    4                                       
CONECT   10   29   11   30   30                                       
CONECT   11   12   12   32   10                                       
CONECT   12   33   11   11   40                                       
CONECT   13   33   33   14   41                                       
CONECT   14   13   32   32   42                                       
CONECT   15   28   16    1    1                                       
CONECT   16   27   15   43   44                                       
CONECT   17   18   27   45   46                                       
CONECT   18   19   17   47   48                                       
CONECT   19    3   18   49   50                                       
CONECT   20    4    2    2   26                                       
CONECT   20   21   21                                                 
CONECT   21   20   20                                                 
CONECT   22   23   23    9   51                                       
CONECT   23   24   22   22   52                                       
CONECT   24   23   25   25                                            
CONECT   25   24   24    8   53                                       
CONECT   26   20    3   54                                            
CONECT   27   17   16   55                                            
CONECT   28   29   29   15   56                                       
CONECT   29   28   28   10   57                                       
CONECT   30   10   10    1   31                                       
CONECT   31   30                                                      
CONECT   32   14   14   11   58                                       
CONECT   33   13   13   12   59                                       
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   32                                                      
CONECT   59   33                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
