COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.266   0.250  -1.365  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.003   0.798  -1.377  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.609   1.164  -0.190  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.946   0.982   1.009  1.00  0.00           C  
HETATM    5  C   UNL     1       0.323   0.433   1.021  1.00  0.00           C  
HETATM    6  C   UNL     1       0.929   0.068  -0.166  1.00  0.00           C  
HETATM    7  C   UNL     1       2.310  -0.535  -0.153  1.00  0.00           C  
HETATM    8  N   UNL     1       3.310   0.530  -0.262  1.00  0.00           N  
HETATM    9  C   UNL     1       4.645   0.219  -0.271  1.00  0.00           C  
HETATM   10  N   UNL     1       4.985  -1.031  -0.180  1.00  0.00           N  
HETATM   11  C   UNL     1       6.239  -1.537  -0.122  1.00  0.00           C  
HETATM   12  C   UNL     1       6.484  -2.908  -0.277  1.00  0.00           C  
HETATM   13  C   UNL     1       7.784  -3.360  -0.213  1.00  0.00           C  
HETATM   14  N   UNL     1       8.793  -2.533  -0.005  1.00  0.00           N  
HETATM   15  C   UNL     1       8.608  -1.231   0.160  1.00  0.00           C  
HETATM   16  C   UNL     1       7.346  -0.707   0.116  1.00  0.00           C  
HETATM   17  S   UNL     1       7.035   1.015   0.361  1.00  0.00           S  
HETATM   18  O   UNL     1       6.840   1.208   1.756  1.00  0.00           O  
HETATM   19  O   UNL     1       7.998   1.725  -0.405  1.00  0.00           O  
HETATM   20  N   UNL     1       5.552   1.249  -0.381  1.00  0.00           N  
HETATM   21  S   UNL     1      -3.226   1.864  -0.205  1.00  0.00           S  
HETATM   22  O   UNL     1      -3.348   2.617   0.994  1.00  0.00           O  
HETATM   23  O   UNL     1      -3.408   2.425  -1.498  1.00  0.00           O  
HETATM   24  N   UNL     1      -4.303   0.612  -0.083  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.815  -0.055  -1.288  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.346  -0.051  -1.241  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.813  -0.682   0.073  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.291   0.144   1.251  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.759   0.143   1.232  1.00  0.00           C  
HETATM   30  N   UNL     1      -8.281  -0.710   0.108  1.00  0.00           N  
HETATM   31  C   UNL     1      -8.819  -1.563  -0.968  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.701  -2.639  -0.300  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.071  -1.992   1.061  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.771  -1.223   1.405  1.00  0.00           C  
HETATM   35  H   UNL     1       0.738  -0.040  -2.293  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.521   0.940  -2.314  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.419   1.268   1.937  1.00  0.00           H  
HETATM   38  H   UNL     1       0.841   0.291   1.958  1.00  0.00           H  
HETATM   39  H   UNL     1       2.460  -1.079   0.780  1.00  0.00           H  
HETATM   40  H   UNL     1       2.416  -1.220  -0.994  1.00  0.00           H  
HETATM   41  H   UNL     1       3.027   1.456  -0.329  1.00  0.00           H  
HETATM   42  H   UNL     1       5.670  -3.598  -0.443  1.00  0.00           H  
HETATM   43  H   UNL     1       7.983  -4.414  -0.335  1.00  0.00           H  
HETATM   44  H   UNL     1       9.455  -0.584   0.331  1.00  0.00           H  
HETATM   45  H   UNL     1       5.344   2.067  -0.858  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.475   0.481  -2.175  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.451  -1.082  -1.320  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.709   0.975  -1.301  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.737  -0.627  -2.080  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.429  -1.699   0.145  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.655   1.168   1.167  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.644  -0.292   2.186  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.397  -0.871   1.405  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.380   0.807   2.009  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.419  -0.963  -1.652  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.000  -2.036  -1.510  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.596  -2.826  -0.894  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.139  -3.561  -0.152  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.913  -1.308   0.952  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.284  -2.755   1.810  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.038  -1.897   1.848  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.987  -0.397   2.083  1.00  0.00           H  
CONECT    1    2    6    6   35                                       
CONECT    2    3    3    1   36                                       
CONECT    3   21    2    2    4                                       
CONECT    4    3    5    5   37                                       
CONECT    5    4    4    6   38                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6    8   39   40                                       
CONECT    8    7    9   41                                            
CONECT    9   20    8   10   10                                       
CONECT   10    9    9   11                                            
CONECT   11   10   16   16   12                                       
CONECT   12   11   13   13   42                                       
CONECT   13   12   12   14   43                                       
CONECT   14   15   15   13                                            
CONECT   15   16   14   14   44                                       
CONECT   16   17   11   11   15                                       
CONECT   17   20   18   18   19                                       
CONECT   17   19   16                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   17    9   45                                            
CONECT   21   23   23   24   22                                       
CONECT   21   22    3                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   25   29   21                                            
CONECT   25   26   24   46   47                                       
CONECT   26   25   27   48   49                                       
CONECT   27   30   26   28   50                                       
CONECT   28   27   29   51   52                                       
CONECT   29   28   24   53   54                                       
CONECT   30   34   31   27                                            
CONECT   31   32   30   55   56                                       
CONECT   32   33   31   57   58                                       
CONECT   33   34   32   59   60                                       
CONECT   34   33   30   61   62                                       
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   20                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
CONECT   58   32                                                      
CONECT   59   33                                                      
CONECT   60   33                                                      
CONECT   61   34                                                      
CONECT   62   34                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
