COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.751  -0.626   1.804  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.455  -0.026   0.614  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.035   0.391   2.538  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.018  -0.277   3.292  1.00  0.00           C  
HETATM    5  C   UNL     1       0.324  -1.586   2.564  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.635  -1.600   1.348  1.00  0.00           C  
HETATM    7  C   UNL     1       1.206   0.587   3.428  1.00  0.00           C  
HETATM    8  C   UNL     1       1.435   0.791   4.871  1.00  0.00           C  
HETATM    9  O   UNL     1       1.876   1.033   2.522  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.489  -0.561   4.694  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.454  -1.224   5.009  1.00  0.00           O  
HETATM   12  C   UNL     1       2.427   1.508   5.543  1.00  0.00           C  
HETATM   13  C   UNL     1       2.437   1.551   6.924  1.00  0.00           C  
HETATM   14  C   UNL     1       1.459   0.894   7.651  1.00  0.00           C  
HETATM   15  C   UNL     1       0.467   0.182   7.006  1.00  0.00           C  
HETATM   16  C   UNL     1       0.443   0.120   5.611  1.00  0.00           C  
HETATM   17  C   UNL     1       1.759  -1.577   2.104  1.00  0.00           C  
HETATM   18  O   UNL     1       2.031  -1.877   0.965  1.00  0.00           O  
HETATM   19  O   UNL     1       2.736  -1.235   2.959  1.00  0.00           O  
HETATM   20  C   UNL     1       0.054  -1.086   0.111  1.00  0.00           C  
HETATM   21  O   UNL     1       0.443   0.061   0.066  1.00  0.00           O  
HETATM   22  N   UNL     1       0.240  -1.902  -0.945  1.00  0.00           N  
HETATM   23  C   UNL     1       0.776  -1.396  -2.134  1.00  0.00           C  
HETATM   24  C   UNL     1       1.606  -2.191  -2.914  1.00  0.00           C  
HETATM   25  C   UNL     1       2.135  -1.695  -4.087  1.00  0.00           C  
HETATM   26  C   UNL     1       1.837  -0.395  -4.489  1.00  0.00           C  
HETATM   27  C   UNL     1       2.405   0.141  -5.751  1.00  0.00           C  
HETATM   28  C   UNL     1       1.004   0.401  -3.705  1.00  0.00           C  
HETATM   29  C   UNL     1       0.473  -0.101  -2.536  1.00  0.00           C  
HETATM   30  N   UNL     1       3.648  -0.093  -6.143  1.00  0.00           N  
HETATM   31  N   UNL     1       4.080   0.395  -7.249  1.00  0.00           N  
HETATM   32  S   UNL     1       2.876   1.218  -7.852  1.00  0.00           S  
HETATM   33  C   UNL     1       1.695   0.933  -6.618  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.610  -0.608   0.128  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.259  -0.055  -0.960  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.744   1.076  -1.570  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.584   1.655  -1.085  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.940   1.103   0.005  1.00  0.00           C  
HETATM   39  C   UNL     1       3.514   2.322   7.642  1.00  0.00           C  
HETATM   40 CL   UNL     1      -5.713  -0.782  -1.566  1.00  0.00          Cl  
HETATM   41 CL   UNL     1      -4.553   1.768  -2.941  1.00  0.00          Cl  
HETATM   42  H   UNL     1      -2.464  -1.136   2.452  1.00  0.00           H  
HETATM   43  H   UNL     1       0.136  -2.443   3.209  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.035  -2.600   1.181  1.00  0.00           H  
HETATM   45  H   UNL     1       3.190   2.028   4.982  1.00  0.00           H  
HETATM   46  H   UNL     1       1.473   0.938   8.730  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.291  -0.327   7.582  1.00  0.00           H  
HETATM   48  H   UNL     1       3.657  -1.230   2.664  1.00  0.00           H  
HETATM   49  H   UNL     1       0.001  -2.840  -0.881  1.00  0.00           H  
HETATM   50  H   UNL     1       1.837  -3.199  -2.602  1.00  0.00           H  
HETATM   51  H   UNL     1       2.781  -2.313  -4.693  1.00  0.00           H  
HETATM   52  H   UNL     1       0.771   1.409  -4.015  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.172   0.515  -1.928  1.00  0.00           H  
HETATM   54  H   UNL     1       0.675   1.282  -6.550  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.011  -1.491   0.604  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.183   2.538  -1.560  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.035   1.555   0.383  1.00  0.00           H  
HETATM   58  H   UNL     1       4.360   1.664   7.841  1.00  0.00           H  
HETATM   59  H   UNL     1       3.840   3.155   7.020  1.00  0.00           H  
HETATM   60  H   UNL     1       3.120   2.704   8.584  1.00  0.00           H  
CONECT    1    2    3    6   42                                       
CONECT    2    1   34   34   38                                       
CONECT    3    1    4                                                 
CONECT    4    3    5    7   10                                       
CONECT    5    4    6   17   43                                       
CONECT    6    1    5   20   44                                       
CONECT    7    4    8    9    9                                       
CONECT    8    7   12   12   16                                       
CONECT    9    7    7                                                 
CONECT   10    4   11   11   16                                       
CONECT   11   10   10                                                 
CONECT   12    8    8   13   45                                       
CONECT   13   12   14   14   39                                       
CONECT   14   13   13   15   46                                       
CONECT   15   14   16   16   47                                       
CONECT   16    8   10   15   15                                       
CONECT   17    5   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   48                                                 
CONECT   20    6   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   49                                            
CONECT   23   22   24   24   29                                       
CONECT   24   23   23   25   50                                       
CONECT   25   24   26   26   51                                       
CONECT   26   25   25   27   28                                       
CONECT   27   26   30   33   33                                       
CONECT   28   26   29   29   52                                       
CONECT   29   23   28   28   53                                       
CONECT   30   27   31   31                                            
CONECT   31   30   30   32                                            
CONECT   32   31   33                                                 
CONECT   33   27   27   32   54                                       
CONECT   34    2    2   35   55                                       
CONECT   35   34   36   36   40                                       
CONECT   36   35   35   37   41                                       
CONECT   37   36   38   38   56                                       
CONECT   38    2   37   37   57                                       
CONECT   39   13   58   59   60                                       
CONECT   40   35                                                      
CONECT   41   36                                                      
CONECT   42    1                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45   12                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   19                                                      
CONECT   49   22                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   33                                                      
CONECT   55   34                                                      
CONECT   56   37                                                      
CONECT   57   38                                                      
CONECT   58   39                                                      
CONECT   59   39                                                      
CONECT   60   39                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
