COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.884   0.699  -0.068  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.837   1.455  -0.606  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.696   1.700   0.147  1.00  0.00           C  
HETATM    4  C   UNL     1       0.336   2.446  -0.387  1.00  0.00           C  
HETATM    5  C   UNL     1       0.233   2.950  -1.671  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.901   2.709  -2.424  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.934   1.958  -1.897  1.00  0.00           C  
HETATM    8  C   UNL     1       1.574   2.712   0.429  1.00  0.00           C  
HETATM    9  O   UNL     1       2.527   1.672   0.201  1.00  0.00           O  
HETATM   10  C   UNL     1       3.708   1.761   0.867  1.00  0.00           C  
HETATM   11  C   UNL     1       3.943   2.825   1.727  1.00  0.00           C  
HETATM   12  C   UNL     1       5.141   2.914   2.409  1.00  0.00           C  
HETATM   13  C   UNL     1       6.110   1.944   2.238  1.00  0.00           C  
HETATM   14  C   UNL     1       5.881   0.876   1.379  1.00  0.00           C  
HETATM   15  C   UNL     1       4.678   0.785   0.693  1.00  0.00           C  
HETATM   16  N   UNL     1       6.862  -0.105   1.205  1.00  0.00           N  
HETATM   17  C   UNL     1       7.028  -0.687   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       6.270  -0.420  -0.913  1.00  0.00           O  
HETATM   19  C   UNL     1       8.127  -1.645  -0.210  1.00  0.00           C  
HETATM   20  C   UNL     1       9.077  -2.057   0.751  1.00  0.00           C  
HETATM   21  N   UNL     1       9.883  -2.911   0.183  1.00  0.00           N  
HETATM   22  N   UNL     1       9.493  -3.084  -1.150  1.00  0.00           N  
HETATM   23  C   UNL     1       8.418  -2.315  -1.382  1.00  0.00           C  
HETATM   24  C   UNL     1      10.144  -3.963  -2.125  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.143   0.876  -0.516  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.386   1.762  -1.308  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.248  -0.028  -0.034  1.00  0.00           C  
HETATM   28  S   UNL     1      -6.808   0.459  -0.812  1.00  0.00           S  
HETATM   29  C   UNL     1      -7.893  -0.728  -0.092  1.00  0.00           C  
HETATM   30  N   UNL     1      -9.178  -0.711  -0.415  1.00  0.00           N  
HETATM   31  C   UNL     1     -10.019  -1.588   0.107  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.541  -2.532   1.002  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.191  -2.522   1.319  1.00  0.00           C  
HETATM   34  N   UNL     1      -7.403  -1.621   0.757  1.00  0.00           N  
HETATM   35  C   UNL     1      -7.628  -3.530   2.288  1.00  0.00           C  
HETATM   36  C   UNL     1     -11.479  -1.560  -0.266  1.00  0.00           C  
HETATM   37  H   UNL     1      -2.704   0.046   0.626  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.616   1.307   1.150  1.00  0.00           H  
HETATM   39  H   UNL     1       1.041   3.534  -2.087  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.978   3.104  -3.426  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.820   1.769  -2.485  1.00  0.00           H  
HETATM   42  H   UNL     1       2.004   3.669   0.136  1.00  0.00           H  
HETATM   43  H   UNL     1       1.313   2.740   1.487  1.00  0.00           H  
HETATM   44  H   UNL     1       3.187   3.585   1.862  1.00  0.00           H  
HETATM   45  H   UNL     1       5.321   3.743   3.077  1.00  0.00           H  
HETATM   46  H   UNL     1       7.046   2.016   2.772  1.00  0.00           H  
HETATM   47  H   UNL     1       4.496  -0.046   0.028  1.00  0.00           H  
HETATM   48  H   UNL     1       7.423  -0.368   1.952  1.00  0.00           H  
HETATM   49  H   UNL     1       9.128  -1.722   1.777  1.00  0.00           H  
HETATM   50  H   UNL     1       7.881  -2.232  -2.316  1.00  0.00           H  
HETATM   51  H   UNL     1       9.687  -4.951  -2.085  1.00  0.00           H  
HETATM   52  H   UNL     1      10.025  -3.547  -3.125  1.00  0.00           H  
HETATM   53  H   UNL     1      11.206  -4.043  -1.889  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.016  -1.059  -0.300  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.340   0.056   1.048  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.206  -3.259   1.444  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.305  -4.417   1.743  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.777  -3.094   2.811  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.395  -3.807   3.011  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.644  -2.197  -1.135  1.00  0.00           H  
HETATM   61  H   UNL     1     -12.074  -1.926   0.571  1.00  0.00           H  
HETATM   62  H   UNL     1     -11.774  -0.538  -0.503  1.00  0.00           H  
CONECT    1    2   25   37                                            
CONECT    2    7    7    3    1                                       
CONECT    3    4    4    2   38                                       
CONECT    4    5    8    3    3                                       
CONECT    5    6    6    4   39                                       
CONECT    6    5    5    7   40                                       
CONECT    7    6    2    2   41                                       
CONECT    8    9    4   42   43                                       
CONECT    9   10    8                                                 
CONECT   10   11   11   15    9                                       
CONECT   11   12   10   10   44                                       
CONECT   12   13   13   11   45                                       
CONECT   13   12   12   14   46                                       
CONECT   14   13   16   15   15                                       
CONECT   15   14   14   10   47                                       
CONECT   16   14   17   48                                            
CONECT   17   16   19   18   18                                       
CONECT   18   17   17                                                 
CONECT   19   20   17   23   23                                       
CONECT   20   21   21   19   49                                       
CONECT   21   20   20   22                                            
CONECT   22   21   23   24                                            
CONECT   23   19   19   22   50                                       
CONECT   24   22   51   52   53                                       
CONECT   25    1   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   54   55                                       
CONECT   28   29   27                                                 
CONECT   29   34   34   30   28                                       
CONECT   30   31   31   29                                            
CONECT   31   32   36   30   30                                       
CONECT   32   33   33   31   56                                       
CONECT   33   35   32   32   34                                       
CONECT   34   33   29   29                                            
CONECT   35   33   57   58   59                                       
CONECT   36   31   60   61   62                                       
CONECT   37    1                                                      
CONECT   38    3                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   20                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   32                                                      
CONECT   57   35                                                      
CONECT   58   35                                                      
CONECT   59   35                                                      
CONECT   60   36                                                      
CONECT   61   36                                                      
CONECT   62   36                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
