COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -6.689   0.242  -0.935  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.054   0.600   0.280  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.446   0.270   0.754  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.236   1.238   1.092  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.999   1.541   0.709  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.142   2.212   1.565  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.582   1.181  -0.574  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.474   0.513  -1.390  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.192   1.508  -1.055  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.344   0.312  -0.951  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.184   0.029   0.492  1.00  0.00           C  
HETATM   12  S   UNL     1      -0.416  -0.504   0.558  1.00  0.00           S  
HETATM   13  C   UNL     1       0.169   0.537  -0.853  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.126   0.596  -1.700  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.245   1.994  -2.310  1.00  0.00           C  
HETATM   16  C   UNL     1       1.303  -0.147  -1.618  1.00  0.00           C  
HETATM   17  C   UNL     1       2.591  -0.072  -0.796  1.00  0.00           C  
HETATM   18  O   UNL     1       3.650  -0.711  -1.510  1.00  0.00           O  
HETATM   19  P   UNL     1       4.968  -0.595  -0.592  1.00  0.00           P  
HETATM   20  O   UNL     1       5.076   0.766  -0.064  1.00  0.00           O  
HETATM   21  O   UNL     1       4.864  -1.638   0.630  1.00  0.00           O  
HETATM   22  O   UNL     1       6.270  -0.932  -1.476  1.00  0.00           O  
HETATM   23  P   UNL     1       6.407   0.810   0.840  1.00  0.00           P  
HETATM   24  O   UNL     1       7.582   0.477   0.004  1.00  0.00           O  
HETATM   25  O   UNL     1       6.589   2.287   1.455  1.00  0.00           O  
HETATM   26  O   UNL     1       6.280  -0.258   2.037  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.115  -1.099   0.942  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.474  -0.679   0.802  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.835  -1.438   2.407  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.876  -2.318   0.089  1.00  0.00           C  
HETATM   31  O   UNL     1      -1.808  -2.477  -0.452  1.00  0.00           O  
HETATM   32  O   UNL     1      -3.850  -3.228  -0.069  1.00  0.00           O  
HETATM   33  H   UNL     1      -8.444  -0.708   1.235  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.776   1.025   1.467  1.00  0.00           H  
HETATM   35  H   UNL     1      -9.126   0.254  -0.098  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.383   2.333   2.497  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.300   2.562   1.232  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.185   0.215  -2.387  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.773   2.304  -0.440  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.234   1.834  -2.094  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.344   0.928   1.087  1.00  0.00           H  
HETATM   42  H   UNL     1       0.466   1.530  -0.515  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.042  -0.128  -2.510  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.297   2.271  -2.770  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.030   1.994  -3.066  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.494   2.711  -1.528  1.00  0.00           H  
HETATM   47  H   UNL     1       1.044  -1.192  -1.793  1.00  0.00           H  
HETATM   48  H   UNL     1       1.452   0.355  -2.573  1.00  0.00           H  
HETATM   49  H   UNL     1       2.849   0.973  -0.621  1.00  0.00           H  
HETATM   50  H   UNL     1       2.442  -0.574   0.160  1.00  0.00           H  
HETATM   51  H   UNL     1       6.295  -0.286  -2.195  1.00  0.00           H  
HETATM   52  H   UNL     1       7.396   2.270   1.988  1.00  0.00           H  
HETATM   53  H   UNL     1       5.504  -0.005   2.556  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.714  -0.814  -0.125  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.007  -0.556   3.024  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.498  -2.241   2.728  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.798  -1.759   2.514  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.697  -4.010  -0.616  1.00  0.00           H  
CONECT    1    2    2    8                                            
CONECT    2    1    1    3    4                                       
CONECT    3    2   33   34   35                                       
CONECT    4    2    5    5                                            
CONECT    5    4    4    6    7                                       
CONECT    6    5   36   37                                            
CONECT    7    5    8    8    9                                       
CONECT    8    1    7    7   38                                       
CONECT    9    7   10   39   40                                       
CONECT   10    9   11   14                                            
CONECT   11   10   12   27   41                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   16   42                                       
CONECT   14   10   13   15   43                                       
CONECT   15   14   44   45   46                                       
CONECT   16   13   17   47   48                                       
CONECT   17   16   18   49   50                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   21   21                                       
CONECT   19   22                                                      
CONECT   20   19   23                                                 
CONECT   21   19   19                                                 
CONECT   22   19   51                                                 
CONECT   23   20   24   24   25                                       
CONECT   23   26                                                      
CONECT   24   23   23                                                 
CONECT   25   23   52                                                 
CONECT   26   23   53                                                 
CONECT   27   11   28   29   30                                       
CONECT   28   27   54                                                 
CONECT   29   27   55   56   57                                       
CONECT   30   27   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   58                                                 
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   11                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   22                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   32                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
