COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.209  -2.456  -0.657  1.00  0.00           C  
HETATM    2  C   UNL     1       0.657  -3.679  -0.325  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.516  -3.738   0.421  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.142  -2.583   0.837  1.00  0.00           C  
HETATM    5  C   UNL     1       0.467  -5.908  -0.238  1.00  0.00           C  
HETATM    6  C   UNL     1       0.882   0.145  -0.411  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.086   0.830   0.215  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.082   0.317   1.476  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.603  -1.345   0.512  1.00  0.00           C  
HETATM   10  C   UNL     1       0.579  -1.281  -0.246  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.342   0.626   0.771  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.444   1.107   1.482  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.617   1.395   0.817  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.705   1.206  -0.552  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.615   0.730  -1.263  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.435   0.444  -0.611  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.173   2.332   0.292  1.00  0.00           C  
HETATM   18  C   UNL     1       2.057   0.731  -1.150  1.00  0.00           C  
HETATM   19  C   UNL     1       3.211   0.909  -0.198  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.988  -0.042   0.776  1.00  0.00           N  
HETATM   21  O   UNL     1       1.263  -4.827  -0.728  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.031   0.387   2.689  1.00  0.00           O  
HETATM   23  O   UNL     1       3.092   0.591   0.966  1.00  0.00           O  
HETATM   24  O   UNL     1       6.878  -0.015  -0.878  1.00  0.00           O  
HETATM   25 CL   UNL     1      -7.186   1.569  -1.382  1.00  0.00          Cl  
HETATM   26  N   UNL     1       4.377   1.421  -0.641  1.00  0.00           N  
HETATM   27  CA  UNL     1       5.499   1.594   0.285  1.00  0.00           C  
HETATM   28  C   UNL     1       6.283   0.284   0.386  1.00  0.00           C  
HETATM   29  C   UNL     1       6.421   2.700  -0.233  1.00  0.00           C  
HETATM   30  C   UNL     1       5.674   4.035  -0.216  1.00  0.00           C  
HETATM   31  H   UNL     1       2.120  -2.410  -1.236  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.940  -4.698   0.676  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.052  -2.640   1.415  1.00  0.00           H  
HETATM   34  H   UNL     1       0.915  -6.855  -0.538  1.00  0.00           H  
HETATM   35  H   UNL     1       0.416  -5.858   0.850  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.539  -5.835  -0.652  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.377   1.254   2.550  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.470   1.767   1.366  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.690   0.585  -2.331  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.586   0.073  -1.166  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.745   2.707  -0.557  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.667   2.621   1.219  1.00  0.00           H  
HETATM   43  H   UNL     1       0.831   2.756   0.268  1.00  0.00           H  
HETATM   44  H   UNL     1       1.778   1.699  -1.567  1.00  0.00           H  
HETATM   45  H   UNL     1       2.351   0.059  -1.956  1.00  0.00           H  
HETATM   46  H   UNL     1       7.361  -0.846  -0.771  1.00  0.00           H  
HETATM   47  H   UNL     1       4.472   1.675  -1.572  1.00  0.00           H  
HETATM   48  HA  UNL     1       5.120   1.868   1.269  1.00  0.00           H  
HETATM   49  H1  UNL     1       7.063   0.385   1.140  1.00  0.00           H  
HETATM   50  H2  UNL     1       5.607  -0.523   0.669  1.00  0.00           H  
HETATM   51  H   UNL     1       6.730   2.469  -1.252  1.00  0.00           H  
HETATM   52  H   UNL     1       7.301   2.769   0.407  1.00  0.00           H  
HETATM   53  H   UNL     1       6.331   4.824  -0.585  1.00  0.00           H  
HETATM   54  H   UNL     1       4.794   3.967  -0.856  1.00  0.00           H  
HETATM   55  H   UNL     1       5.365   4.267   0.803  1.00  0.00           H  
CONECT    1    2   10   10   31                                       
CONECT    2    1    3    3   21                                       
CONECT    3    2    2    4   32                                       
CONECT    4    3    9    9   33                                       
CONECT    5   21   34   35   36                                       
CONECT    6    7    7   10   18                                       
CONECT    7    6    6   17   20                                       
CONECT    8   11   20   22   22                                       
CONECT    9    4    4   10   20                                       
CONECT   10    1    1    6    9                                       
CONECT   11    8   12   16   16                                       
CONECT   12   11   13   13   37                                       
CONECT   13   12   12   14   38                                       
CONECT   14   13   15   15   25                                       
CONECT   15   14   14   16   39                                       
CONECT   16   11   11   15   40                                       
CONECT   17    7   41   42   43                                       
CONECT   18    6   19   44   45                                       
CONECT   19   18   23   23   26                                       
CONECT   20    7    8    9                                            
CONECT   21    2    5                                                 
CONECT   22    8    8                                                 
CONECT   23   19   19                                                 
CONECT   24   28   46                                                 
CONECT   25   14                                                      
CONECT   26   19   27   47                                            
CONECT   27   26   28   29   48                                       
CONECT   28   24   27   49   50                                       
CONECT   29   27   30   51   52                                       
CONECT   30   29   53   54   55                                       
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   24                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
