COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.871   0.490  -1.552  1.00  0.00           C  
HETATM    2  C   UNL     1       3.216  -1.526   0.044  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.535   1.309  -1.212  1.00  0.00           C  
HETATM    4  N   UNL     1       0.137   3.758   0.713  1.00  0.00           N  
HETATM    5  C   UNL     1       1.888   2.307   1.331  1.00  0.00           C  
HETATM    6  N   UNL     1       2.315   1.067   0.984  1.00  0.00           N  
HETATM    7  C   UNL     1       1.524   0.578   0.061  1.00  0.00           C  
HETATM    8  O   UNL     1     -10.052  -0.545   2.020  1.00  0.00           O  
HETATM    9  N   UNL     1       0.541   1.484  -0.234  1.00  0.00           N  
HETATM   10  N   UNL     1       3.447   3.060   3.030  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.747   0.673  -0.530  1.00  0.00           C  
HETATM   12  C   UNL     1       0.587   4.642   1.579  1.00  0.00           C  
HETATM   13  C   UNL     1       0.750   2.589   0.558  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.310  -0.939  -1.143  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.425  -2.315  -1.082  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.498  -2.890  -0.428  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.457  -2.089   0.164  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.342  -0.713   0.103  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.268  -0.138  -0.552  1.00  0.00           C  
HETATM   20  C   UNL     1       3.208  -2.455   1.077  1.00  0.00           C  
HETATM   21  C   UNL     1       4.401  -2.865   1.647  1.00  0.00           C  
HETATM   22  C   UNL     1       5.608  -2.345   1.183  1.00  0.00           C  
HETATM   23  C   UNL     1       5.611  -1.419   0.153  1.00  0.00           C  
HETATM   24  C   UNL     1       4.420  -1.010  -0.416  1.00  0.00           C  
HETATM   25  C   UNL     1       6.010  -3.458   3.078  1.00  0.00           C  
HETATM   26  C   UNL     1       2.330   3.282   2.241  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.136  -0.312  -1.850  1.00  0.00           C  
HETATM   28  I   UNL     1       4.431   0.391  -1.974  1.00  0.00           I  
HETATM   29  N   UNL     1       1.653   4.422   2.327  1.00  0.00           N  
HETATM   30  N   UNL     1      -4.035  -0.121  -0.897  1.00  0.00           N  
HETATM   31  O   UNL     1       4.665  -3.748   2.654  1.00  0.00           O  
HETATM   32  O   UNL     1       6.627  -2.903   1.901  1.00  0.00           O  
HETATM   33  O   UNL     1     -10.645   0.245  -0.062  1.00  0.00           O  
HETATM   34  S   UNL     1       1.698  -1.008  -0.686  1.00  0.00           S  
HETATM   35  S   UNL     1      -9.563   0.308   0.858  1.00  0.00           S  
HETATM   36  H   UNL     1      -3.151   1.461  -1.961  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.526  -0.158  -2.359  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.816   2.280  -1.621  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.191   0.661  -2.019  1.00  0.00           H  
HETATM   40  H   UNL     1     -10.741  -0.126   2.553  1.00  0.00           H  
HETATM   41  H   UNL     1       3.934   2.224   2.958  1.00  0.00           H  
HETATM   42  H   UNL     1       3.743   3.740   3.655  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.092   1.321   0.276  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.467  -0.298  -0.121  1.00  0.00           H  
HETATM   45  H   UNL     1       0.066   5.582   1.681  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.676  -2.941  -1.544  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.589  -3.965  -0.380  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.296  -2.538   0.674  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.179   0.937  -0.600  1.00  0.00           H  
HETATM   50  H   UNL     1       2.272  -2.856   1.436  1.00  0.00           H  
HETATM   51  H   UNL     1       6.547  -1.016  -0.206  1.00  0.00           H  
HETATM   52  H   UNL     1       6.008  -2.729   3.888  1.00  0.00           H  
HETATM   53  H   UNL     1       6.520  -4.371   3.386  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.807  -0.965  -2.659  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.432   0.654  -2.261  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.785  -0.992  -0.454  1.00  0.00           H  
CONECT    1   11   30   36   37                                       
CONECT    2   34   24   24   20                                       
CONECT    3    9   11   38   39                                       
CONECT    4   13   13   12                                            
CONECT    5    6   26   26   13                                       
CONECT    6    7    7    5                                            
CONECT    7   34    6    6    9                                       
CONECT    8   35   40                                                 
CONECT    9    7   13    3                                            
CONECT   10   26   41   42                                            
CONECT   11    3    1   43   44                                       
CONECT   12   29   29    4   45                                       
CONECT   13    5    9    4    4                                       
CONECT   14   15   27   19   19                                       
CONECT   15   16   16   14   46                                       
CONECT   16   15   15   17   47                                       
CONECT   17   16   18   18   48                                       
CONECT   18   17   17   19   35                                       
CONECT   19   14   14   18   49                                       
CONECT   20    2   21   21   50                                       
CONECT   21   20   20   22   31                                       
CONECT   22   23   23   21   32                                       
CONECT   23   24   22   22   51                                       
CONECT   24   28    2    2   23                                       
CONECT   25   32   31   52   53                                       
CONECT   26   10    5    5   29                                       
CONECT   27   30   14   54   55                                       
CONECT   28   24                                                      
CONECT   29   26   12   12                                            
CONECT   30    1   27   56                                            
CONECT   31   21   25                                                 
CONECT   32   22   25                                                 
CONECT   33   35   35                                                 
CONECT   34    2    7                                                 
CONECT   35   18   33   33    8                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    8                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   23                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   30                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
