COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  OXT UNL     1       3.528  -6.018   1.578  1.00  0.00           O  
HETATM    2  C   UNL     1       3.218  -5.815   0.428  1.00  0.00           C  
HETATM    3  O   UNL     1       4.146  -5.880  -0.539  1.00  0.00           O  
HETATM    4  CA  UNL     1       1.787  -5.496   0.079  1.00  0.00           C  
HETATM    5  N   UNL     1       0.909  -5.911   1.181  1.00  0.00           N  
HETATM    6  C   UNL     1       1.642  -3.990  -0.150  1.00  0.00           C  
HETATM    7  C   UNL     1       0.226  -3.683  -0.643  1.00  0.00           C  
HETATM    8  N   UNL     1       0.047  -2.229  -0.742  1.00  0.00           N  
HETATM    9  C   UNL     1       0.802  -1.681  -1.877  1.00  0.00           C  
HETATM   10  C   UNL     1       0.924  -0.164  -1.723  1.00  0.00           C  
HETATM   11  C   UNL     1       1.684   0.439  -2.925  1.00  0.00           C  
HETATM   12  O   UNL     1       0.766   0.974  -3.881  1.00  0.00           O  
HETATM   13  C   UNL     1       2.537   1.567  -2.304  1.00  0.00           C  
HETATM   14  O   UNL     1       2.171   2.834  -2.856  1.00  0.00           O  
HETATM   15  O   UNL     1       1.734   0.161  -0.572  1.00  0.00           O  
HETATM   16  C   UNL     1       2.192   1.513  -0.799  1.00  0.00           C  
HETATM   17  N   UNL     1       3.382   1.791   0.008  1.00  0.00           N  
HETATM   18  C   UNL     1       3.848   3.031   0.367  1.00  0.00           C  
HETATM   19  N   UNL     1       3.452   4.281   0.150  1.00  0.00           N  
HETATM   20  C   UNL     1       4.132   5.295   0.643  1.00  0.00           C  
HETATM   21  N   UNL     1       5.224   5.131   1.367  1.00  0.00           N  
HETATM   22  C   UNL     1       4.227   0.866   0.544  1.00  0.00           C  
HETATM   23  N   UNL     1       5.180   1.462   1.201  1.00  0.00           N  
HETATM   24  C   UNL     1       5.005   2.804   1.131  1.00  0.00           C  
HETATM   25  C   UNL     1       5.696   3.919   1.635  1.00  0.00           C  
HETATM   26  N   UNL     1       6.842   3.757   2.394  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.377  -1.879  -0.839  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.082  -2.245   0.469  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.051  -1.125   1.524  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.329  -0.669   0.933  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.606  -2.032   0.431  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.286  -0.288   1.980  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.473   0.396   1.351  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.565  -0.348   0.946  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.653   0.279   0.369  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.649   1.652   0.197  1.00  0.00           C  
HETATM   37 CL   UNL     1      -9.016   2.441  -0.527  1.00  0.00          Cl  
HETATM   38  C   UNL     1      -6.556   2.396   0.603  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.470   1.769   1.185  1.00  0.00           C  
HETATM   40  H   UNL     1       5.062  -6.018  -0.260  1.00  0.00           H  
HETATM   41  HA  UNL     1       1.507  -6.030  -0.829  1.00  0.00           H  
HETATM   42  H1  UNL     1       0.938  -6.911   1.310  1.00  0.00           H  
HETATM   43  H2  UNL     1       1.149  -5.430   2.035  1.00  0.00           H  
HETATM   44  H   UNL     1       1.823  -3.462   0.786  1.00  0.00           H  
HETATM   45  H   UNL     1       2.365  -3.665  -0.897  1.00  0.00           H  
HETATM   46  H   UNL     1       0.077  -4.135  -1.623  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.500  -4.092   0.060  1.00  0.00           H  
HETATM   48  H   UNL     1       1.797  -2.126  -1.899  1.00  0.00           H  
HETATM   49  H   UNL     1       0.280  -1.911  -2.805  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.063   0.289  -1.632  1.00  0.00           H  
HETATM   51  H   UNL     1       2.322  -0.313  -3.390  1.00  0.00           H  
HETATM   52  H   UNL     1       1.189   1.365  -4.657  1.00  0.00           H  
HETATM   53  H   UNL     1       3.598   1.375  -2.461  1.00  0.00           H  
HETATM   54  H   UNL     1       2.310   2.901  -3.810  1.00  0.00           H  
HETATM   55  H   UNL     1       1.399   2.224  -0.566  1.00  0.00           H  
HETATM   56  H   UNL     1       3.783   6.299   0.448  1.00  0.00           H  
HETATM   57  H   UNL     1       4.122  -0.203   0.440  1.00  0.00           H  
HETATM   58  H   UNL     1       7.311   4.534   2.737  1.00  0.00           H  
HETATM   59  H   UNL     1       7.177   2.866   2.584  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.477  -0.809  -1.019  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.831  -2.430  -1.663  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.785  -3.221   0.853  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.144  -1.484   2.549  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.230  -0.420   1.392  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.028  -2.053  -0.574  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.155  -2.657   1.136  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.620  -1.181   2.509  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.805   0.392   2.683  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.568  -1.419   1.079  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.506  -0.302   0.052  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.552   3.468   0.470  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.617   2.350   1.502  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    3    1    1                                       
CONECT    3    2   40                                                 
CONECT    4    5    6    2   41                                       
CONECT    5    4   42   43                                            
CONECT    6    7    4   44   45                                       
CONECT    7    6    8   46   47                                       
CONECT    8    7    9   27                                            
CONECT    9   10    8   48   49                                       
CONECT   10   11   15    9   50                                       
CONECT   11   13   10   12   51                                       
CONECT   12   11   52                                                 
CONECT   13   16   11   14   53                                       
CONECT   14   13   54                                                 
CONECT   15   16   10                                                 
CONECT   16   17   13   15   55                                       
CONECT   17   18   22   16                                            
CONECT   18   24   24   19   17                                       
CONECT   19   20   20   18                                            
CONECT   20   21   19   19   56                                       
CONECT   21   25   25   20                                            
CONECT   22   23   23   17   57                                       
CONECT   23   24   22   22                                            
CONECT   24   25   23   18   18                                       
CONECT   25   26   21   21   24                                       
CONECT   26   25   58   59                                            
CONECT   27    8   28   60   61                                       
CONECT   28   27   31   29   62                                       
CONECT   29   28   30   63   64                                       
CONECT   30   31   29   32                                            
CONECT   31   28   30   65   66                                       
CONECT   32   30   33   67   68                                       
CONECT   33   34   34   39   32                                       
CONECT   34   35   33   33   69                                       
CONECT   35   36   36   34   70                                       
CONECT   36   37   35   35   38                                       
CONECT   37   36                                                      
CONECT   38   36   39   39   71                                       
CONECT   39   38   38   33   72                                       
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   16                                                      
CONECT   56   20                                                      
CONECT   57   22                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
