COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.653  -0.022   1.791  1.00  0.00           O  
HETATM    2  C   UNL     1       1.266  -0.335   0.682  1.00  0.00           C  
HETATM    3  N   UNL     1       2.150  -0.737  -0.252  1.00  0.00           N  
HETATM    4  C   UNL     1       3.578  -0.799   0.069  1.00  0.00           C  
HETATM    5  C   UNL     1       4.263  -1.818  -0.843  1.00  0.00           C  
HETATM    6  N   UNL     1       3.743  -3.157  -0.556  1.00  0.00           N  
HETATM    7  C   UNL     1       2.665  -3.755  -1.151  1.00  0.00           C  
HETATM    8  C   UNL     1       2.538  -4.974  -0.593  1.00  0.00           C  
HETATM    9  N   UNL     1       3.512  -5.117   0.318  1.00  0.00           N  
HETATM   10  C   UNL     1       4.241  -4.035   0.342  1.00  0.00           C  
HETATM   11  C   UNL     1       4.199   0.559  -0.140  1.00  0.00           C  
HETATM   12  C   UNL     1       3.669   1.424  -1.078  1.00  0.00           C  
HETATM   13  C   UNL     1       4.238   2.669  -1.271  1.00  0.00           C  
HETATM   14  C   UNL     1       5.338   3.050  -0.523  1.00  0.00           C  
HETATM   15 CL   UNL     1       6.052   4.614  -0.764  1.00  0.00          Cl  
HETATM   16  C   UNL     1       5.868   2.184   0.417  1.00  0.00           C  
HETATM   17  C   UNL     1       5.295   0.941   0.613  1.00  0.00           C  
HETATM   18 CL   UNL     1       5.956  -0.143   1.797  1.00  0.00          Cl  
HETATM   19  C   UNL     1      -0.175  -0.279   0.360  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.621  -0.643  -0.914  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.962  -0.591  -1.214  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.879  -0.174  -0.245  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.433   0.190   1.029  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.092   0.133   1.330  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.319  -0.117  -0.567  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.872  -0.435  -1.716  1.00  0.00           N  
HETATM   27  N   UNL     1      -6.145  -0.265  -1.639  1.00  0.00           N  
HETATM   28  C   UNL     1      -6.455   0.167  -0.437  1.00  0.00           C  
HETATM   29  O   UNL     1      -5.309   0.264   0.266  1.00  0.00           O  
HETATM   30  C   UNL     1      -7.812   0.484   0.056  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.916   0.330  -0.785  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.180   0.627  -0.319  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.355   1.076   0.979  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.265   1.230   1.817  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.996   0.932   1.365  1.00  0.00           C  
HETATM   36  H   UNL     1       1.841  -0.987  -1.137  1.00  0.00           H  
HETATM   37  H   UNL     1       3.704  -1.100   1.109  1.00  0.00           H  
HETATM   38  H   UNL     1       4.062  -1.566  -1.885  1.00  0.00           H  
HETATM   39  H   UNL     1       5.338  -1.800  -0.666  1.00  0.00           H  
HETATM   40  H   UNL     1       2.036  -3.331  -1.919  1.00  0.00           H  
HETATM   41  H   UNL     1       1.784  -5.708  -0.836  1.00  0.00           H  
HETATM   42  H   UNL     1       5.100  -3.868   0.975  1.00  0.00           H  
HETATM   43  H   UNL     1       2.810   1.127  -1.662  1.00  0.00           H  
HETATM   44  H   UNL     1       3.824   3.344  -2.005  1.00  0.00           H  
HETATM   45  H   UNL     1       6.727   2.481   1.001  1.00  0.00           H  
HETATM   46  H   UNL     1       0.088  -0.966  -1.662  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.307  -0.872  -2.198  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.142   0.513   1.777  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.748   0.411   2.316  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.781  -0.020  -1.798  1.00  0.00           H  
HETATM   51  H   UNL     1     -11.035   0.509  -0.968  1.00  0.00           H  
HETATM   52  H   UNL     1     -11.347   1.307   1.338  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.408   1.581   2.828  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.146   1.048   2.022  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   19    3                                       
CONECT    3    2    4   36                                            
CONECT    4    3   11    5   37                                       
CONECT    5    4    6   38   39                                       
CONECT    6    5   10    7                                            
CONECT    7    6    8    8   40                                       
CONECT    8    7    7    9   41                                       
CONECT    9    8   10   10                                            
CONECT   10    6    9    9   42                                       
CONECT   11    4   12   12   17                                       
CONECT   12   11   11   13   43                                       
CONECT   13   12   14   14   44                                       
CONECT   14   13   13   15   16                                       
CONECT   15   14                                                      
CONECT   16   14   17   17   45                                       
CONECT   17   11   16   16   18                                       
CONECT   18   17                                                      
CONECT   19    2   20   20   24                                       
CONECT   20   19   19   21   46                                       
CONECT   21   20   22   22   47                                       
CONECT   22   21   21   25   23                                       
CONECT   23   22   24   24   48                                       
CONECT   24   19   23   23   49                                       
CONECT   25   22   26   26   29                                       
CONECT   26   25   25   27                                            
CONECT   27   26   28   28                                            
CONECT   28   27   27   30   29                                       
CONECT   29   25   28                                                 
CONECT   30   28   35   35   31                                       
CONECT   31   30   32   32   50                                       
CONECT   32   31   31   33   51                                       
CONECT   33   32   34   34   52                                       
CONECT   34   33   33   35   53                                       
CONECT   35   30   30   34   54                                       
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   16                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   31                                                      
CONECT   51   32                                                      
CONECT   52   33                                                      
CONECT   53   34                                                      
CONECT   54   35                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
