COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.095  -1.375   0.009  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.191  -0.659   0.219  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.263   0.606  -0.187  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.267   1.205  -0.807  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.111   0.552  -1.064  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.006  -0.778  -0.650  1.00  0.00           C  
HETATM    7  S   UNL     1       0.575  -1.407  -1.093  1.00  0.00           S  
HETATM    8  C   UNL     1       1.034   0.128  -1.812  1.00  0.00           C  
HETATM    9  C   UNL     1       0.052   1.008  -1.706  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.023  -2.690   0.438  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.269  -3.097   1.103  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.124  -4.534   1.612  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.790  -5.391   0.517  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.581  -5.024  -0.153  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.711  -3.592  -0.680  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.508   1.369   0.069  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.759   0.818  -0.225  1.00  0.00           C  
HETATM   18  N   UNL     1      -6.845   1.530   0.018  1.00  0.00           N  
HETATM   19  C   UNL     1      -6.760   2.749   0.531  1.00  0.00           C  
HETATM   20  N   UNL     1      -5.592   3.305   0.823  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.461   2.655   0.615  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.139   3.293   0.956  1.00  0.00           C  
HETATM   23  N   UNL     1      -7.920   3.460   0.769  1.00  0.00           N  
HETATM   24  C   UNL     1       2.365   0.404  -2.461  1.00  0.00           C  
HETATM   25  N   UNL     1       3.306   0.913  -1.454  1.00  0.00           N  
HETATM   26  C   UNL     1       4.672   0.970  -1.990  1.00  0.00           C  
HETATM   27  C   UNL     1       5.585   1.671  -0.979  1.00  0.00           C  
HETATM   28  N   UNL     1       5.455   0.990   0.319  1.00  0.00           N  
HETATM   29  C   UNL     1       4.103   0.773   0.857  1.00  0.00           C  
HETATM   30  C   UNL     1       3.248   0.108  -0.226  1.00  0.00           C  
HETATM   31  S   UNL     1       6.793   0.482   1.150  1.00  0.00           S  
HETATM   32  O   UNL     1       6.323  -0.600   1.943  1.00  0.00           O  
HETATM   33  O   UNL     1       7.775   0.279   0.144  1.00  0.00           O  
HETATM   34  C   UNL     1       7.238   1.893   2.199  1.00  0.00           C  
HETATM   35  H   UNL     1       0.139   2.014  -2.088  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.467  -2.431   1.943  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.095  -3.044   0.393  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.334  -4.576   2.362  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.065  -4.859   2.056  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.746  -5.081   0.545  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.407  -5.704  -0.987  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.511  -3.548  -1.419  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.771  -3.288  -1.142  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.835  -0.174  -0.643  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.724   3.766   0.066  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.287   4.045   1.731  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.450   2.530   1.317  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.782   3.066   0.560  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.874   4.353   1.145  1.00  0.00           H  
HETATM   50  H   UNL     1       2.758  -0.517  -2.892  1.00  0.00           H  
HETATM   51  H   UNL     1       2.238   1.148  -3.248  1.00  0.00           H  
HETATM   52  H   UNL     1       5.035  -0.042  -2.168  1.00  0.00           H  
HETATM   53  H   UNL     1       4.672   1.527  -2.927  1.00  0.00           H  
HETATM   54  H   UNL     1       6.619   1.615  -1.319  1.00  0.00           H  
HETATM   55  H   UNL     1       5.286   2.714  -0.877  1.00  0.00           H  
HETATM   56  H   UNL     1       4.157   0.124   1.731  1.00  0.00           H  
HETATM   57  H   UNL     1       3.662   1.730   1.136  1.00  0.00           H  
HETATM   58  H   UNL     1       2.216   0.040   0.116  1.00  0.00           H  
HETATM   59  H   UNL     1       3.632  -0.892  -0.429  1.00  0.00           H  
HETATM   60  H   UNL     1       6.408   2.126   2.866  1.00  0.00           H  
HETATM   61  H   UNL     1       8.120   1.644   2.789  1.00  0.00           H  
HETATM   62  H   UNL     1       7.453   2.758   1.572  1.00  0.00           H  
CONECT    1    2    2    6   10                                       
CONECT    2    1    1    3                                            
CONECT    3    2    4    4   16                                       
CONECT    4    3    3    5                                            
CONECT    5    4    6    6    9                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8                                                 
CONECT    8    7    9    9   24                                       
CONECT    9    5    8    8   35                                       
CONECT   10    1   11   15                                            
CONECT   11   10   12   36   37                                       
CONECT   12   11   13   38   39                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   40   41                                       
CONECT   15   10   14   42   43                                       
CONECT   16    3   17   17   21                                       
CONECT   17   16   16   18   44                                       
CONECT   18   17   19   19                                            
CONECT   19   18   18   20   23                                       
CONECT   20   19   21   21                                            
CONECT   21   16   20   20   22                                       
CONECT   22   21   45   46   47                                       
CONECT   23   19   48   49                                            
CONECT   24    8   25   50   51                                       
CONECT   25   24   26   30                                            
CONECT   26   25   27   52   53                                       
CONECT   27   26   28   54   55                                       
CONECT   28   27   29   31                                            
CONECT   29   28   30   56   57                                       
CONECT   30   25   29   58   59                                       
CONECT   31   28   32   32   33                                       
CONECT   31   33   34                                                 
CONECT   32   31   31                                                 
CONECT   33   31   31                                                 
CONECT   34   31   60   61   62                                       
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   17                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   30                                                      
CONECT   60   34                                                      
CONECT   61   34                                                      
CONECT   62   34                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
