COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.166  -0.327  -1.343  1.00  0.00           C  
HETATM    2  N   UNL     1       4.450  -0.004  -1.239  1.00  0.00           N  
HETATM    3  C   UNL     1       5.136  -0.298  -0.144  1.00  0.00           C  
HETATM    4  N   UNL     1       4.580  -0.920   0.885  1.00  0.00           N  
HETATM    5  C   UNL     1       3.305  -1.276   0.861  1.00  0.00           C  
HETATM    6  C   UNL     1       2.544  -0.993  -0.270  1.00  0.00           C  
HETATM    7  N   UNL     1       2.454  -0.018  -2.488  1.00  0.00           N  
HETATM    8  N   UNL     1       6.472   0.055  -0.074  1.00  0.00           N  
HETATM    9  C   UNL     1       2.688  -1.983   2.040  1.00  0.00           C  
HETATM   10  C   UNL     1       2.112  -0.950   3.011  1.00  0.00           C  
HETATM   11  C   UNL     1       0.750  -2.721  -0.342  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.582  -3.073  -0.405  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.563  -2.091  -0.467  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.210  -0.742  -0.466  1.00  0.00           C  
HETATM   15  C   UNL     1       0.131  -0.388  -0.396  1.00  0.00           C  
HETATM   16  C   UNL     1       1.113  -1.375  -0.339  1.00  0.00           C  
HETATM   17  S   UNL     1      -3.261  -2.557  -0.547  1.00  0.00           S  
HETATM   18  C   UNL     1      -3.996  -1.176   0.372  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.442   0.121  -0.145  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.173   0.264  -0.530  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.764   1.569  -1.056  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.265   2.448   0.093  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.855   3.753  -0.433  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.379   4.697   0.403  1.00  0.00           C  
HETATM   25  C   UNL     1       0.043   6.039  -0.138  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.515  -1.192   0.188  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.661  -1.317   1.859  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.181   1.080  -0.215  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.289   4.466   1.590  1.00  0.00           O  
HETATM   30  H   UNL     1       2.892   0.437  -3.224  1.00  0.00           H  
HETATM   31  H   UNL     1       1.516  -0.258  -2.555  1.00  0.00           H  
HETATM   32  H   UNL     1       6.987  -0.153   0.721  1.00  0.00           H  
HETATM   33  H   UNL     1       6.893   0.511  -0.819  1.00  0.00           H  
HETATM   34  H   UNL     1       3.449  -2.575   2.548  1.00  0.00           H  
HETATM   35  H   UNL     1       1.889  -2.639   1.692  1.00  0.00           H  
HETATM   36  H   UNL     1       1.351  -0.358   2.502  1.00  0.00           H  
HETATM   37  H   UNL     1       1.666  -1.462   3.863  1.00  0.00           H  
HETATM   38  H   UNL     1       2.911  -0.294   3.358  1.00  0.00           H  
HETATM   39  H   UNL     1       1.510  -3.486  -0.294  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.864  -4.116  -0.407  1.00  0.00           H  
HETATM   41  H   UNL     1       0.414   0.654  -0.388  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.963   1.432  -1.782  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.614   2.050  -1.538  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.066   2.585   0.820  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.414   1.967   0.576  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.927   3.937  -1.382  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.808   6.519  -0.621  1.00  0.00           H  
HETATM   48  H   UNL     1       0.398   6.665   0.680  1.00  0.00           H  
HETATM   49  H   UNL     1       0.843   5.902  -0.865  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.917  -2.133   0.564  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.956  -0.362   0.740  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.753  -1.091  -0.871  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.579  -1.306   1.990  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.102  -0.487   2.411  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.063  -2.258   2.234  1.00  0.00           H  
CONECT    1    2    6    6    7                                       
CONECT    2    1    3    3                                            
CONECT    3    2    2    4    8                                       
CONECT    4    3    5    5                                            
CONECT    5    4    4    6    9                                       
CONECT    6    1    1    5   16                                       
CONECT    7    1   30   31                                            
CONECT    8    3   32   33                                            
CONECT    9    5   10   34   35                                       
CONECT   10    9   36   37   38                                       
CONECT   11   12   16   16   39                                       
CONECT   12   11   13   13   40                                       
CONECT   13   12   12   14   17                                       
CONECT   14   13   15   15   20                                       
CONECT   15   14   14   16   41                                       
CONECT   16    6   11   11   15                                       
CONECT   17   13   18                                                 
CONECT   18   17   19   26   27                                       
CONECT   19   18   20   28   28                                       
CONECT   20   14   19   21                                            
CONECT   21   20   22   42   43                                       
CONECT   22   21   23   44   45                                       
CONECT   23   22   24   46                                            
CONECT   24   23   25   29   29                                       
CONECT   25   24   47   48   49                                       
CONECT   26   18   50   51   52                                       
CONECT   27   18   53   54   55                                       
CONECT   28   19   19                                                 
CONECT   29   24   24                                                 
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   15                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
