COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -10.260   1.687  -0.274  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.674  -1.899   0.258  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.636  -1.304  -0.459  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.349  -1.807  -0.353  1.00  0.00           C  
HETATM    5  C   UNL     1       9.876  -0.112  -0.729  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.095  -2.901   0.467  1.00  0.00           C  
HETATM    7  C   UNL     1       1.930  -1.149  -0.534  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.409  -2.997   1.079  1.00  0.00           C  
HETATM    9  C   UNL     1       3.030  -0.419  -1.261  1.00  0.00           C  
HETATM   10  C   UNL     1       5.420   0.235  -1.169  1.00  0.00           C  
HETATM   11  C   UNL     1       7.724   1.010  -1.340  1.00  0.00           C  
HETATM   12  C   UNL     1      11.047  -0.179   0.008  1.00  0.00           C  
HETATM   13  C   UNL     1      11.335   0.811   0.945  1.00  0.00           C  
HETATM   14  C   UNL     1      10.447   1.858   1.135  1.00  0.00           C  
HETATM   15  C   UNL     1       9.279   1.918   0.397  1.00  0.00           C  
HETATM   16  C   UNL     1       8.995   0.936  -0.533  1.00  0.00           C  
HETATM   17  C   UNL     1       4.320  -0.494  -0.442  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.124  -3.491   1.178  1.00  0.00           C  
HETATM   19  C   UNL     1      13.169  -0.430   0.658  1.00  0.00           C  
HETATM   20  N   UNL     1       0.696  -1.214  -1.071  1.00  0.00           N  
HETATM   21  C   UNL     1      -9.074   1.919  -0.145  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.382  -0.052   0.200  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.048  -1.365   0.155  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.217  -3.588  -0.090  1.00  0.00           C  
HETATM   25  O   UNL     1       2.156  -1.677   0.534  1.00  0.00           O  
HETATM   26  C   UNL     1      -6.291  -1.308  -0.062  1.00  0.00           C  
HETATM   27  O   UNL     1      -9.877  -0.774  -0.381  1.00  0.00           O  
HETATM   28  N   UNL     1      -5.187  -2.125  -0.002  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.838   0.022   0.061  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.651  -1.563  -0.209  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.552  -0.519  -0.236  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.105   0.811  -0.115  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.747   1.077   0.034  1.00  0.00           C  
HETATM   34  N   UNL     1       6.655   0.301  -0.633  1.00  0.00           N  
HETATM   35  O   UNL     1      -8.646   3.192  -0.029  1.00  0.00           O  
HETATM   36  O   UNL     1       5.195   0.764  -2.238  1.00  0.00           O  
HETATM   37  O   UNL     1      12.065  -1.088   0.008  1.00  0.00           O  
HETATM   38  O   UNL     1      12.532   0.522   1.532  1.00  0.00           O  
HETATM   39  I   UNL     1      -3.066   1.562   0.431  1.00  0.00           I  
HETATM   40  H   UNL     1      -1.835  -0.455  -1.095  1.00  0.00           H  
HETATM   41  H   UNL     1       9.653  -0.876  -1.459  1.00  0.00           H  
HETATM   42  H   UNL     1       0.908  -3.291   0.548  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.210  -3.461   1.636  1.00  0.00           H  
HETATM   44  H   UNL     1       3.191  -0.881  -2.235  1.00  0.00           H  
HETATM   45  H   UNL     1       2.746   0.624  -1.397  1.00  0.00           H  
HETATM   46  H   UNL     1       7.440   2.054  -1.475  1.00  0.00           H  
HETATM   47  H   UNL     1       7.885   0.548  -2.314  1.00  0.00           H  
HETATM   48  H   UNL     1      10.667   2.627   1.861  1.00  0.00           H  
HETATM   49  H   UNL     1       8.588   2.734   0.548  1.00  0.00           H  
HETATM   50  H   UNL     1       4.160  -0.032   0.532  1.00  0.00           H  
HETATM   51  H   UNL     1       4.604  -1.538  -0.307  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.921  -4.341   1.812  1.00  0.00           H  
HETATM   53  H   UNL     1      13.756  -1.145   1.234  1.00  0.00           H  
HETATM   54  H   UNL     1       0.531  -0.850  -1.955  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.324  -4.010   0.909  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.059  -3.897  -0.708  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.288  -3.943  -0.537  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.347  -0.901   0.455  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.002  -2.580  -0.304  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.400   2.096   0.129  1.00  0.00           H  
HETATM   61  H   UNL     1       6.835  -0.122   0.221  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.319   3.886  -0.054  1.00  0.00           H  
HETATM   63  H   UNL     1      13.796   0.079  -0.074  1.00  0.00           H  
CONECT    1   21   21                                                 
CONECT    2   23    3    3    8                                       
CONECT    3    2    2    4   40                                       
CONECT    4    3   20    6    6                                       
CONECT    5   12   12   16   41                                       
CONECT    6    4    4   18   42                                       
CONECT    7   25   25   20    9                                       
CONECT    8    2   18   18   43                                       
CONECT    9    7   17   44   45                                       
CONECT   10   34   17   36   36                                       
CONECT   11   16   34   46   47                                       
CONECT   12   13   37    5    5                                       
CONECT   13   38   14   14   12                                       
CONECT   14   13   13   15   48                                       
CONECT   15   14   16   16   49                                       
CONECT   16   15   15    5   11                                       
CONECT   17    9   10   50   51                                       
CONECT   18    6    8    8   52                                       
CONECT   19   38   37   53   63                                       
CONECT   20    7    4   54                                            
CONECT   21    1    1   35   32                                       
CONECT   22   39   29   23   23                                       
CONECT   23   22   22    2   28                                       
CONECT   24   28   55   56   57                                       
CONECT   25    7    7                                                 
CONECT   26   29   29   30   28                                       
CONECT   27   31   58                                                 
CONECT   28   26   23   24                                            
CONECT   29   33   22   26   26                                       
CONECT   30   31   31   26   59                                       
CONECT   31   32   27   30   30                                       
CONECT   32   21   33   33   31                                       
CONECT   33   32   32   29   60                                       
CONECT   34   11   10   61                                            
CONECT   35   21   62                                                 
CONECT   36   10   10                                                 
CONECT   37   19   12                                                 
CONECT   38   19   13                                                 
CONECT   39   22                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   27                                                      
CONECT   59   30                                                      
CONECT   60   33                                                      
CONECT   61   34                                                      
CONECT   62   35                                                      
CONECT   63   19                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
