COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.739  -0.521  -0.262  1.00  0.00           C  
HETATM    2  N   UNL     1      -6.190  -0.697  -0.116  1.00  0.00           N  
HETATM    3  C   UNL     1      -6.629  -1.965  -0.713  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.591  -0.613   1.295  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.355   0.904   0.142  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.796   0.978  -1.110  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.799   1.525   1.240  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.172   1.392   1.263  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.856   1.049   0.110  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.101   1.319   0.050  1.00  0.00           C  
HETATM   11  C   UNL     1       0.265  -1.438   0.062  1.00  0.00           C  
HETATM   12  C   UNL     1       1.601  -1.036   0.032  1.00  0.00           C  
HETATM   13  C   UNL     1       5.650   1.889  -0.071  1.00  0.00           C  
HETATM   14  C   UNL     1       4.152   1.732  -0.039  1.00  0.00           C  
HETATM   15  C   UNL     1       3.343   2.850  -0.031  1.00  0.00           C  
HETATM   16  C   UNL     1       1.961   2.726  -0.002  1.00  0.00           C  
HETATM   17  C   UNL     1       1.374   1.460   0.019  1.00  0.00           C  
HETATM   18  C   UNL     1       2.195   0.322   0.011  1.00  0.00           C  
HETATM   19  C   UNL     1       3.588   0.460  -0.019  1.00  0.00           C  
HETATM   20  C   UNL     1       3.870  -1.902  -0.009  1.00  0.00           C  
HETATM   21  C   UNL     1       2.471  -2.121   0.022  1.00  0.00           C  
HETATM   22  C   UNL     1       0.062  -2.750   0.081  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.169   0.848  -1.074  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.984   1.898  -0.836  1.00  0.00           C  
HETATM   25  N   UNL     1       4.394  -0.667  -0.028  1.00  0.00           N  
HETATM   26  O   UNL     1       4.620  -2.863  -0.018  1.00  0.00           O  
HETATM   27  O   UNL     1       1.179   3.838   0.006  1.00  0.00           O  
HETATM   28  S   UNL     1       1.532  -3.609   0.050  1.00  0.00           S  
HETATM   29  H   UNL     1      -4.220  -1.232   0.380  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.455  -0.693  -1.300  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.125  -2.794  -0.218  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.707  -2.070  -0.591  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.382  -1.971  -1.775  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.316   0.363   1.694  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.670  -0.747   1.375  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.085  -1.394   1.864  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.718   1.107   1.150  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.261   0.822  -2.035  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.266   1.789   2.141  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.713   1.551   2.184  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.550  -0.729   0.074  1.00  0.00           H  
HETATM   42  H   UNL     1       6.032   1.934   0.949  1.00  0.00           H  
HETATM   43  H   UNL     1       6.094   1.038  -0.588  1.00  0.00           H  
HETATM   44  H   UNL     1       5.908   2.808  -0.597  1.00  0.00           H  
HETATM   45  H   UNL     1       3.791   3.833  -0.047  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.913  -3.214   0.109  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.709   0.588  -1.972  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.069   1.794  -0.813  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.711   2.914  -0.548  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.621   1.696  -1.844  1.00  0.00           H  
HETATM   51  H   UNL     1       5.358  -0.561  -0.049  1.00  0.00           H  
HETATM   52  H   UNL     1       0.935   4.153  -0.875  1.00  0.00           H  
CONECT    1    5    2   29   30                                       
CONECT    2    1    3    4                                            
CONECT    3    2   31   32   33                                       
CONECT    4    2   34   35   36                                       
CONECT    5    9   24    1   37                                       
CONECT    6   10   23   23   38                                       
CONECT    7   10   10    8   39                                       
CONECT    8    7    9    9   40                                       
CONECT    9    8    8   23    5                                       
CONECT   10   17    7    7    6                                       
CONECT   11   22   22   12   41                                       
CONECT   12   21   21   18   11                                       
CONECT   13   14   42   43   44                                       
CONECT   14   13   19   19   15                                       
CONECT   15   14   16   16   45                                       
CONECT   16   15   15   17   27                                       
CONECT   17   18   18   16   10                                       
CONECT   18   19   12   17   17                                       
CONECT   19   25   14   14   18                                       
CONECT   20   26   26   25   21                                       
CONECT   21   20   28   12   12                                       
CONECT   22   28   11   11   46                                       
CONECT   23    6    6    9   47                                       
CONECT   24    5   48   49   50                                       
CONECT   25   20   19   51                                            
CONECT   26   20   20                                                 
CONECT   27   16   52                                                 
CONECT   28   21   22                                                 
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41   11                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   15                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   27                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
