COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.226  -1.321   0.908  1.00  0.00           C  
HETATM    2  O   UNL     1       0.578  -2.290   1.250  1.00  0.00           O  
HETATM    3  C   UNL     1       2.568  -1.536   0.274  1.00  0.00           C  
HETATM    4  C   UNL     1       3.447  -0.313   0.560  1.00  0.00           C  
HETATM    5  C   UNL     1       2.712   0.920   0.038  1.00  0.00           C  
HETATM    6  N   UNL     1       0.961   2.341   0.925  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.540   3.785  -0.328  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.825   4.260  -0.524  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.872   3.772   0.237  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.649   2.789   1.180  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.116   1.256   2.249  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.672  -0.040   1.781  1.00  0.00           C  
HETATM   13  C   UNL     1       4.769  -0.458  -0.148  1.00  0.00           C  
HETATM   14  C   UNL     1       5.945  -0.473   0.580  1.00  0.00           C  
HETATM   15  C   UNL     1       7.158  -0.605  -0.070  1.00  0.00           C  
HETATM   16  C   UNL     1       7.195  -0.723  -1.447  1.00  0.00           C  
HETATM   17  C   UNL     1       6.020  -0.708  -2.174  1.00  0.00           C  
HETATM   18  C   UNL     1       4.806  -0.580  -1.524  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.683  -0.563   0.794  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.970   0.159  -0.349  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.897  -0.318  -1.259  1.00  0.00           C  
HETATM   22 CL   UNL     1      -3.254   0.592  -2.693  1.00  0.00          Cl  
HETATM   23  C   UNL     1      -3.541  -1.523  -1.024  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.453  -1.994  -1.916  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.253  -2.250   0.127  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.881  -3.432   0.362  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.318  -1.769   1.031  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.535  -4.124   1.564  1.00  0.00           C  
HETATM   29  C   UNL     1       1.372   1.061   0.743  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.314   2.813   0.630  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.368   2.296   1.369  1.00  0.00           C  
HETATM   32  C   UNL     1       0.685  -0.031   1.117  1.00  0.00           C  
HETATM   33  H   UNL     1       3.033  -2.428   0.696  1.00  0.00           H  
HETATM   34  H   UNL     1       2.448  -1.660  -0.802  1.00  0.00           H  
HETATM   35  H   UNL     1       3.611  -0.220   1.634  1.00  0.00           H  
HETATM   36  H   UNL     1       3.315   1.808   0.227  1.00  0.00           H  
HETATM   37  H   UNL     1       2.546   0.816  -1.034  1.00  0.00           H  
HETATM   38  H   UNL     1       1.602   2.973   1.287  1.00  0.00           H  
HETATM   39  H   UNL     1       0.279   4.169  -0.918  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.011   5.016  -1.273  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.869   4.161   0.091  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.468   2.405   1.770  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.239   1.402   3.200  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.638  -0.722   2.630  1.00  0.00           H  
HETATM   45  H   UNL     1       5.915  -0.381   1.655  1.00  0.00           H  
HETATM   46  H   UNL     1       8.076  -0.617   0.498  1.00  0.00           H  
HETATM   47  H   UNL     1       8.143  -0.826  -1.954  1.00  0.00           H  
HETATM   48  H   UNL     1       6.049  -0.799  -3.250  1.00  0.00           H  
HETATM   49  H   UNL     1       3.888  -0.573  -2.092  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.468   1.098  -0.533  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.075  -2.557  -2.605  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.093  -2.331   1.925  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.764  -3.495   2.424  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.107  -5.049   1.628  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.470  -4.355   1.556  1.00  0.00           H  
CONECT    1    2    2    3   32                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   33   34                                       
CONECT    4    3   13    5   35                                       
CONECT    5    4   29   36   37                                       
CONECT    6   29   30   38                                            
CONECT    7   30    8    8   39                                       
CONECT    8    7    7    9   40                                       
CONECT    9    8   10   10   41                                       
CONECT   10    9    9   31   42                                       
CONECT   11   12   31   43                                            
CONECT   12   11   32   19   44                                       
CONECT   13    4   14   18   18                                       
CONECT   14   13   15   15   45                                       
CONECT   15   14   14   16   46                                       
CONECT   16   15   17   17   47                                       
CONECT   17   16   16   18   48                                       
CONECT   18   13   13   17   49                                       
CONECT   19   12   20   20   27                                       
CONECT   20   19   19   21   50                                       
CONECT   21   20   22   23   23                                       
CONECT   22   21                                                      
CONECT   23   21   21   24   25                                       
CONECT   24   23   51                                                 
CONECT   25   23   27   27   26                                       
CONECT   26   25   28                                                 
CONECT   27   25   25   19   52                                       
CONECT   28   26   53   54   55                                       
CONECT   29    6    5   32   32                                       
CONECT   30    7    6   31   31                                       
CONECT   31   10   11   30   30                                       
CONECT   32   12   29   29    1                                       
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   20                                                      
CONECT   51   24                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
