COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      27.777  11.555   9.131  1.00  0.00           C  
HETATM    2  S   UNL     1      28.788  12.323   7.846  1.00  0.00           S  
HETATM    3  N   UNL     1      27.571  14.308   6.615  1.00  0.00           N  
HETATM    4  N   UNL     1      28.131  14.621   8.934  1.00  0.00           N  
HETATM    5  C   UNL     1      28.069  13.943   7.744  1.00  0.00           C  
HETATM    6  C   UNL     1      27.663  13.342   5.519  1.00  0.00           C  
HETATM    7  C   UNL     1      27.079  13.947   4.245  1.00  0.00           C  
HETATM    8  C   UNL     1      25.596  14.300   4.396  1.00  0.00           C  
HETATM    9  C   UNL     1      24.991  14.921   3.132  1.00  0.00           C  
HETATM   10  C   UNL     1      23.515  15.294   3.288  1.00  0.00           C  
HETATM   11  C   UNL     1      22.913  15.926   2.029  1.00  0.00           C  
HETATM   12  C   UNL     1      21.415  16.241   2.095  1.00  0.00           C  
HETATM   13  C   UNL     1      20.882  16.921   0.831  1.00  0.00           C  
HETATM   14  C   UNL     1      19.398  17.290   0.921  1.00  0.00           C  
HETATM   15  C   UNL     1      18.883  18.035  -0.312  1.00  0.00           C  
HETATM   16  C   UNL     1      17.404  18.400  -0.161  1.00  0.00           C  
HETATM   17  C   UNL     1      16.881  19.118  -1.408  1.00  0.00           C  
HETATM   18  C   UNL     1      15.400  19.495  -1.314  1.00  0.00           C  
HETATM   19  C   UNL     1      14.869  20.184  -2.566  1.00  0.00           C  
HETATM   20  C   UNL     1      12.815  22.818  -4.799  1.00  0.00           C  
HETATM   21  S   UNL     1      14.027  21.480  -4.872  1.00  0.00           S  
HETATM   22  N   UNL     1      15.628  21.418  -2.783  1.00  0.00           N  
HETATM   23  N   UNL     1      15.839  23.288  -4.283  1.00  0.00           N  
HETATM   24  C   UNL     1      15.315  22.107  -3.823  1.00  0.00           C  
HETATM   25  H   UNL     1      27.568  10.515   8.868  1.00  0.00           H  
HETATM   26  H   UNL     1      26.831  12.094   9.230  1.00  0.00           H  
HETATM   27  H   UNL     1      28.306  11.584  10.086  1.00  0.00           H  
HETATM   28  H   UNL     1      28.555  14.198   9.753  1.00  0.00           H  
HETATM   29  H   UNL     1      27.758  15.558   9.042  1.00  0.00           H  
HETATM   30  H   UNL     1      27.137  12.422   5.793  1.00  0.00           H  
HETATM   31  H   UNL     1      28.717  13.091   5.359  1.00  0.00           H  
HETATM   32  H   UNL     1      27.196  13.223   3.430  1.00  0.00           H  
HETATM   33  H   UNL     1      27.654  14.840   3.974  1.00  0.00           H  
HETATM   34  H   UNL     1      25.033  13.388   4.630  1.00  0.00           H  
HETATM   35  H   UNL     1      25.455  14.984   5.241  1.00  0.00           H  
HETATM   36  H   UNL     1      25.093  14.198   2.313  1.00  0.00           H  
HETATM   37  H   UNL     1      25.578  15.803   2.851  1.00  0.00           H  
HETATM   38  H   UNL     1      23.382  15.972   4.137  1.00  0.00           H  
HETATM   39  H   UNL     1      22.939  14.389   3.522  1.00  0.00           H  
HETATM   40  H   UNL     1      23.097  15.253   1.182  1.00  0.00           H  
HETATM   41  H   UNL     1      23.453  16.855   1.805  1.00  0.00           H  
HETATM   42  H   UNL     1      20.856  15.321   2.296  1.00  0.00           H  
HETATM   43  H   UNL     1      21.245  16.900   2.956  1.00  0.00           H  
HETATM   44  H   UNL     1      21.038  16.275  -0.040  1.00  0.00           H  
HETATM   45  H   UNL     1      21.453  17.841   0.652  1.00  0.00           H  
HETATM   46  H   UNL     1      18.803  16.383   1.082  1.00  0.00           H  
HETATM   47  H   UNL     1      19.257  17.922   1.807  1.00  0.00           H  
HETATM   48  H   UNL     1      19.009  17.415  -1.206  1.00  0.00           H  
HETATM   49  H   UNL     1      19.473  18.948  -0.463  1.00  0.00           H  
HETATM   50  H   UNL     1      17.272  19.044   0.716  1.00  0.00           H  
HETATM   51  H   UNL     1      16.826  17.486   0.016  1.00  0.00           H  
HETATM   52  H   UNL     1      17.459  20.038  -1.559  1.00  0.00           H  
HETATM   53  H   UNL     1      17.046  18.492  -2.293  1.00  0.00           H  
HETATM   54  H   UNL     1      15.267  20.163  -0.454  1.00  0.00           H  
HETATM   55  H   UNL     1      14.802  18.600  -1.102  1.00  0.00           H  
HETATM   56  H   UNL     1      13.810  20.436  -2.461  1.00  0.00           H  
HETATM   57  H   UNL     1      14.982  19.537  -3.442  1.00  0.00           H  
HETATM   58  H   UNL     1      12.598  23.067  -3.757  1.00  0.00           H  
HETATM   59  H   UNL     1      11.889  22.508  -5.291  1.00  0.00           H  
HETATM   60  H   UNL     1      13.208  23.704  -5.304  1.00  0.00           H  
HETATM   61  H   UNL     1      15.490  23.717  -5.133  1.00  0.00           H  
HETATM   62  H   UNL     1      16.587  23.772  -3.798  1.00  0.00           H  
CONECT    1    2   25   26   27                                       
CONECT    2    1    5                                                 
CONECT    3    5    5    6                                            
CONECT    4    5   28   29                                            
CONECT    5    2    3    3    4                                       
CONECT    6    3    7   30   31                                       
CONECT    7    6    8   32   33                                       
CONECT    8    7    9   34   35                                       
CONECT    9    8   10   36   37                                       
CONECT   10    9   11   38   39                                       
CONECT   11   10   12   40   41                                       
CONECT   12   11   13   42   43                                       
CONECT   13   12   14   44   45                                       
CONECT   14   13   15   46   47                                       
CONECT   15   14   16   48   49                                       
CONECT   16   15   17   50   51                                       
CONECT   17   16   18   52   53                                       
CONECT   18   17   19   54   55                                       
CONECT   19   18   22   56   57                                       
CONECT   20   21   58   59   60                                       
CONECT   21   20   24                                                 
CONECT   22   19   24   24                                            
CONECT   23   24   61   62                                            
CONECT   24   21   22   22   23                                       
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
