COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  OXT UNL     1      -3.219  -4.334   0.615  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.522  -3.288   0.127  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.368  -3.437  -0.223  1.00  0.00           O  
HETATM    4  CA  UNL     1      -3.158  -1.969   0.018  1.00  0.00           C  
HETATM    5  N   UNL     1      -4.459  -1.673   0.382  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.695  -0.341   0.136  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.808   0.476   0.310  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.741   1.808  -0.037  1.00  0.00           C  
HETATM    9 CL   UNL     1      -7.131   2.825   0.182  1.00  0.00          Cl  
HETATM   10  C   UNL     1      -4.570   2.345  -0.560  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.467   1.564  -0.740  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.510   0.206  -0.394  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.560  -0.842  -0.452  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.141  -0.729  -0.947  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.221  -0.365   0.220  1.00  0.00           C  
HETATM   16  C   UNL     1       1.219  -0.251  -0.282  1.00  0.00           C  
HETATM   17  O   UNL     1       2.079   0.089   0.808  1.00  0.00           O  
HETATM   18  C   UNL     1       3.401   0.230   0.530  1.00  0.00           C  
HETATM   19  C   UNL     1       4.292   0.559   1.541  1.00  0.00           C  
HETATM   20  C   UNL     1       5.637   0.701   1.257  1.00  0.00           C  
HETATM   21  C   UNL     1       6.605   1.058   2.356  1.00  0.00           C  
HETATM   22  C   UNL     1       6.095   0.516  -0.035  1.00  0.00           C  
HETATM   23 CL   UNL     1       7.785   0.696  -0.390  1.00  0.00          Cl  
HETATM   24  C   UNL     1       5.208   0.188  -1.045  1.00  0.00           C  
HETATM   25  C   UNL     1       5.710  -0.014  -2.452  1.00  0.00           C  
HETATM   26  C   UNL     1       3.864   0.040  -0.764  1.00  0.00           C  
HETATM   27  HXT UNL     1      -2.758  -5.182   0.668  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.099  -2.302   0.749  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.722   0.068   0.715  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.533   3.391  -0.827  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.562   1.990  -1.148  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.828  -1.682  -1.373  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.083   0.047  -1.710  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.534   0.588   0.646  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.279  -1.141   0.984  1.00  0.00           H  
HETATM   36  H   UNL     1       1.532  -1.204  -0.708  1.00  0.00           H  
HETATM   37  H   UNL     1       1.277   0.525  -1.046  1.00  0.00           H  
HETATM   38  H   UNL     1       3.935   0.704   2.550  1.00  0.00           H  
HETATM   39  H   UNL     1       6.985   0.146   2.815  1.00  0.00           H  
HETATM   40  H   UNL     1       7.435   1.628   1.938  1.00  0.00           H  
HETATM   41  H   UNL     1       6.095   1.659   3.109  1.00  0.00           H  
HETATM   42  H   UNL     1       5.978  -1.060  -2.596  1.00  0.00           H  
HETATM   43  H   UNL     1       4.928   0.262  -3.159  1.00  0.00           H  
HETATM   44  H   UNL     1       6.587   0.612  -2.618  1.00  0.00           H  
HETATM   45  H   UNL     1       3.172  -0.217  -1.553  1.00  0.00           H  
CONECT    1    2   27                                                 
CONECT    2    3    3    4    1                                       
CONECT    3    2    2                                                 
CONECT    4   13   13    5    2                                       
CONECT    5    6    4   28                                            
CONECT    6   12   12    7    5                                       
CONECT    7    8    8    6   29                                       
CONECT    8   10    9    7    7                                       
CONECT    9    8                                                      
CONECT   10   11   11    8   30                                       
CONECT   11   10   10   12   31                                       
CONECT   12   11   13    6    6                                       
CONECT   13   14   12    4    4                                       
CONECT   14   13   15   32   33                                       
CONECT   15   14   16   34   35                                       
CONECT   16   17   15   36   37                                       
CONECT   17   18   16                                                 
CONECT   18   26   17   19   19                                       
CONECT   19   18   18   20   38                                       
CONECT   20   22   22   19   21                                       
CONECT   21   20   39   40   41                                       
CONECT   22   24   23   20   20                                       
CONECT   23   22                                                      
CONECT   24   25   26   26   22                                       
CONECT   25   24   42   43   44                                       
CONECT   26   24   24   18   45                                       
CONECT   27    1                                                      
CONECT   28    5                                                      
CONECT   29    7                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   14                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   19                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
