COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.839   4.171  -1.846  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.196   3.526  -0.617  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.497   4.373   0.621  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.756   2.140  -0.426  1.00  0.00           C  
HETATM    5  O   UNL     1      -6.042   1.817  -0.227  1.00  0.00           O  
HETATM    6  N   UNL     1      -6.193   0.624  -0.106  1.00  0.00           N  
HETATM    7  C   UNL     1      -5.053  -0.015  -0.205  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.060   0.981  -0.427  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.578   0.788  -0.617  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.909   0.974   0.632  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.558   0.834   0.636  1.00  0.00           C  
HETATM   12  C   UNL     1       0.153   1.002   1.816  1.00  0.00           C  
HETATM   13  C   UNL     1       1.524   0.861   1.823  1.00  0.00           C  
HETATM   14  C   UNL     1       2.197   0.549   0.642  1.00  0.00           C  
HETATM   15  C   UNL     1       1.480   0.380  -0.542  1.00  0.00           C  
HETATM   16  C   UNL     1       0.109   0.518  -0.541  1.00  0.00           C  
HETATM   17  C   UNL     1       3.672   0.396   0.646  1.00  0.00           C  
HETATM   18  C   UNL     1       4.380   0.569   1.845  1.00  0.00           C  
HETATM   19  C   UNL     1       5.730   0.441   1.899  1.00  0.00           C  
HETATM   20  C   UNL     1       6.451   0.126   0.731  1.00  0.00           C  
HETATM   21  N   UNL     1       7.775  -0.009   0.742  1.00  0.00           N  
HETATM   22  CA  UNL     1       8.440  -0.304  -0.359  1.00  0.00           C  
HETATM   23  C   UNL     1       7.799  -0.491  -1.591  1.00  0.00           C  
HETATM   24  C   UNL     1       6.443  -0.370  -1.691  1.00  0.00           C  
HETATM   25  C   UNL     1       5.720  -0.056  -0.525  1.00  0.00           C  
HETATM   26  C   UNL     1       4.326   0.081  -0.532  1.00  0.00           C  
HETATM   27  C   UNL     1       9.913  -0.443  -0.290  1.00  0.00           C  
HETATM   28  O   UNL     1      10.545  -0.714  -1.291  1.00  0.00           O  
HETATM   29  OXT UNL     1      10.552  -0.268   0.882  1.00  0.00           O  
HETATM   30  C   UNL     1      -4.840  -1.480  -0.110  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.219  -2.169   1.042  1.00  0.00           C  
HETATM   32 CL   UNL     1      -5.940  -1.314   2.369  1.00  0.00          Cl  
HETATM   33  C   UNL     1      -5.018  -3.534   1.124  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.443  -4.216   0.068  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.065  -3.538  -1.077  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.267  -2.175  -1.174  1.00  0.00           C  
HETATM   37 CL   UNL     1      -3.799  -1.327  -2.615  1.00  0.00          Cl  
HETATM   38  H   UNL     1      -4.434   5.173  -1.985  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.625   3.567  -2.728  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.918   4.232  -1.701  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.117   3.465  -0.762  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.576   4.434   0.765  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.039   3.914   1.496  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.092   5.376   0.482  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.387  -0.221  -0.984  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.207   1.514  -1.339  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.369   1.244   2.731  1.00  0.00           H  
HETATM   48  H   UNL     1       2.077   0.992   2.742  1.00  0.00           H  
HETATM   49  H   UNL     1       1.999   0.139  -1.458  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.447   0.388  -1.457  1.00  0.00           H  
HETATM   51  H   UNL     1       3.838   0.811   2.747  1.00  0.00           H  
HETATM   52  H   UNL     1       6.250   0.580   2.836  1.00  0.00           H  
HETATM   53  H   UNL     1       8.382  -0.731  -2.468  1.00  0.00           H  
HETATM   54  H   UNL     1       5.940  -0.512  -2.636  1.00  0.00           H  
HETATM   55  H   UNL     1       3.768  -0.050  -1.447  1.00  0.00           H  
HETATM   56  HXT UNL     1      11.514  -0.368   0.878  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.311  -4.069   2.016  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.288  -5.283   0.137  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.616  -4.076  -1.899  1.00  0.00           H  
CONECT    1    2   38   39   40                                       
CONECT    2    1    3    4   41                                       
CONECT    3    2   42   43   44                                       
CONECT    4    2    8    8    5                                       
CONECT    5    4    6                                                 
CONECT    6    5    7    7                                            
CONECT    7    6    6    8   30                                       
CONECT    8    4    4    7    9                                       
CONECT    9    8   10   45   46                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   12   16                                       
CONECT   12   11   11   13   47                                       
CONECT   13   12   14   14   48                                       
CONECT   14   13   13   17   15                                       
CONECT   15   14   16   16   49                                       
CONECT   16   11   15   15   50                                       
CONECT   17   14   26   26   18                                       
CONECT   18   17   19   19   51                                       
CONECT   19   18   18   20   52                                       
CONECT   20   19   21   21   25                                       
CONECT   21   20   20   22                                            
CONECT   22   21   27   23   23                                       
CONECT   23   22   22   24   53                                       
CONECT   24   23   25   25   54                                       
CONECT   25   20   24   24   26                                       
CONECT   26   17   17   25   55                                       
CONECT   27   22   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   56                                                 
CONECT   30    7   31   31   36                                       
CONECT   31   30   30   32   33                                       
CONECT   32   31                                                      
CONECT   33   31   34   34   57                                       
CONECT   34   33   33   35   58                                       
CONECT   35   34   36   36   59                                       
CONECT   36   30   35   35   37                                       
CONECT   37   36                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   26                                                      
CONECT   56   29                                                      
CONECT   57   33                                                      
CONECT   58   34                                                      
CONECT   59   35                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
