COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.600   1.437  -1.679  1.00  0.00           C  
HETATM    2  C   UNL     1       0.544  -2.432   0.112  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.670   0.838  -0.812  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.853   1.660   0.004  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.782  -1.386   1.216  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.536  -0.559  -0.741  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.626  -1.106   0.108  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.819  -0.298   0.915  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.923   1.063   0.871  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.611  -1.403  -0.159  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.456  -1.923  -0.709  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.076  -1.859   4.601  1.00  0.00           N  
HETATM   13  N   UNL     1       1.712  -2.956  -0.454  1.00  0.00           N  
HETATM   14  C   UNL     1      -6.704   2.793  -1.724  1.00  0.00           C  
HETATM   15  N   UNL     1       4.444   2.969   0.606  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.989   3.057  -0.069  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.900   3.601  -0.921  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.919  -0.874   1.754  1.00  0.00           O  
HETATM   19  C   UNL     1       0.390  -2.417   1.488  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.776  -1.893   2.050  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.943  -1.874   3.473  1.00  0.00           C  
HETATM   22  S   UNL     1       2.480  -2.139  -1.673  1.00  0.00           S  
HETATM   23  C   UNL     1       3.064  -0.621  -0.996  1.00  0.00           C  
HETATM   24  C   UNL     1       4.326  -0.555  -0.434  1.00  0.00           C  
HETATM   25  C   UNL     1       4.786   0.633   0.098  1.00  0.00           C  
HETATM   26  C   UNL     1       3.980   1.764   0.068  1.00  0.00           C  
HETATM   27  C   UNL     1       2.714   1.695  -0.498  1.00  0.00           C  
HETATM   28  C   UNL     1       2.261   0.505  -1.033  1.00  0.00           C  
HETATM   29  O   UNL     1       3.634  -2.901  -2.001  1.00  0.00           O  
HETATM   30  O   UNL     1       1.479  -1.797  -2.620  1.00  0.00           O  
HETATM   31  C   UNL     1       5.767   3.214   0.670  1.00  0.00           C  
HETATM   32  C   UNL     1       6.272   4.451   1.368  1.00  0.00           C  
HETATM   33  O   UNL     1       6.552   2.439   0.166  1.00  0.00           O  
HETATM   34  H   UNL     1      -7.227   0.824  -2.310  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.153  -1.195  -1.358  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.525  -2.180   0.161  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.294   1.677   1.498  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.384  -1.008  -0.803  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.328  -1.933  -1.781  1.00  0.00           H  
HETATM   40  H   UNL     1       2.072  -3.797  -0.132  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.419   3.251  -2.391  1.00  0.00           H  
HETATM   42  H   UNL     1       3.812   3.629   0.933  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.373   3.696   0.547  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.003   4.675  -0.975  1.00  0.00           H  
HETATM   45  H   UNL     1       1.169  -2.810   2.125  1.00  0.00           H  
HETATM   46  H   UNL     1       4.952  -1.435  -0.411  1.00  0.00           H  
HETATM   47  H   UNL     1       5.772   0.683   0.537  1.00  0.00           H  
HETATM   48  H   UNL     1       2.085   2.573  -0.523  1.00  0.00           H  
HETATM   49  H   UNL     1       1.278   0.452  -1.476  1.00  0.00           H  
HETATM   50  H   UNL     1       5.426   5.021   1.754  1.00  0.00           H  
HETATM   51  H   UNL     1       6.923   4.163   2.193  1.00  0.00           H  
HETATM   52  H   UNL     1       6.830   5.065   0.661  1.00  0.00           H  
CONECT    1   14   14    3   34                                       
CONECT    2   19   13   11   11                                       
CONECT    3    1    6    6    4                                       
CONECT    4    3   16    9    9                                       
CONECT    5   20   18   10   10                                       
CONECT    6    3    3    7   35                                       
CONECT    7    6    8    8   36                                       
CONECT    8    7    7    9   18                                       
CONECT    9    4    4    8   37                                       
CONECT   10    5    5   11   38                                       
CONECT   11    2    2   10   39                                       
CONECT   12   21   21   21                                            
CONECT   13   22    2   40                                            
CONECT   14    1    1   17   41                                       
CONECT   15   26   31   42                                            
CONECT   16   17   17    4   43                                       
CONECT   17   14   16   16   44                                       
CONECT   18    8    5                                                 
CONECT   19   20   20    2   45                                       
CONECT   20   21   19   19    5                                       
CONECT   21   12   12   12   20                                       
CONECT   22   30   30   29   29                                       
CONECT   22   23   13                                                 
CONECT   23   22   28   28   24                                       
CONECT   24   23   25   25   46                                       
CONECT   25   24   24   26   47                                       
CONECT   26   27   27   25   15                                       
CONECT   27   28   26   26   48                                       
CONECT   28   23   23   27   49                                       
CONECT   29   22   22                                                 
CONECT   30   22   22                                                 
CONECT   31   15   32   33   33                                       
CONECT   32   31   50   51   52                                       
CONECT   33   31   31                                                 
CONECT   34    1                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   32                                                      
CONECT   51   32                                                      
CONECT   52   32                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
