COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       7.265  -1.721  -0.630  1.00  0.00           O  
HETATM    2  C   UNL     1       6.885  -0.567  -0.619  1.00  0.00           C  
HETATM    3  O   UNL     1       7.781   0.438  -0.658  1.00  0.00           O  
HETATM    4  C   UNL     1       9.184   0.068  -0.711  1.00  0.00           C  
HETATM    5  C   UNL     1      10.044   1.333  -0.749  1.00  0.00           C  
HETATM    6  N   UNL     1       5.566  -0.292  -0.574  1.00  0.00           N  
HETATM    7  C   UNL     1       4.577  -1.378  -0.538  1.00  0.00           C  
HETATM    8  C   UNL     1       3.676  -1.179   0.688  1.00  0.00           C  
HETATM    9  C   UNL     1       5.092   1.099  -0.555  1.00  0.00           C  
HETATM   10  C   UNL     1       4.195   1.294   0.674  1.00  0.00           C  
HETATM   11  N   UNL     1       3.202   0.211   0.701  1.00  0.00           N  
HETATM   12  C   UNL     1       1.884   0.491   0.749  1.00  0.00           C  
HETATM   13  O   UNL     1       1.510   1.642   0.864  1.00  0.00           O  
HETATM   14  N   UNL     1       0.981  -0.506   0.671  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.382  -0.210   0.612  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.346  -1.121   0.539  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.066  -2.602   0.509  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.689  -0.577   0.490  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.949  -1.249   0.409  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.003  -2.465   0.356  1.00  0.00           O  
HETATM   21  S   UNL     1      -1.046   1.413   0.634  1.00  0.00           S  
HETATM   22  C   UNL     1      -2.696   0.813   0.531  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.872   1.477   0.497  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.009   0.853   0.436  1.00  0.00           C  
HETATM   25  N   UNL     1      -5.071  -0.512   0.394  1.00  0.00           N  
HETATM   26  C   UNL     1      -6.309   1.623   0.414  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.904   1.557  -0.992  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.776   0.326  -1.159  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.462   0.386  -2.526  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.978  -0.962  -1.064  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.394  -1.148   0.336  1.00  0.00           C  
HETATM   32  H   UNL     1       9.439  -0.518   0.172  1.00  0.00           H  
HETATM   33  H   UNL     1       9.370  -0.525  -1.607  1.00  0.00           H  
HETATM   34  H   UNL     1      11.097   1.055  -0.790  1.00  0.00           H  
HETATM   35  H   UNL     1       9.788   1.919  -1.632  1.00  0.00           H  
HETATM   36  H   UNL     1       9.858   1.926   0.146  1.00  0.00           H  
HETATM   37  H   UNL     1       3.972  -1.353  -1.444  1.00  0.00           H  
HETATM   38  H   UNL     1       5.089  -2.338  -0.467  1.00  0.00           H  
HETATM   39  H   UNL     1       2.824  -1.856   0.628  1.00  0.00           H  
HETATM   40  H   UNL     1       4.243  -1.384   1.596  1.00  0.00           H  
HETATM   41  H   UNL     1       5.945   1.775  -0.496  1.00  0.00           H  
HETATM   42  H   UNL     1       4.524   1.304  -1.462  1.00  0.00           H  
HETATM   43  H   UNL     1       4.803   1.266   1.579  1.00  0.00           H  
HETATM   44  H   UNL     1       3.683   2.253   0.604  1.00  0.00           H  
HETATM   45  H   UNL     1       1.277  -1.430   0.655  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.048  -2.989   1.528  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.847  -3.108  -0.058  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.100  -2.779   0.036  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.006   1.182   1.126  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.122   2.663   0.683  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.505   2.449  -1.167  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.094   1.523  -1.721  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.540   0.325  -0.381  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.706   0.411  -3.310  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.091  -0.495  -2.655  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.077   1.284  -2.585  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.630  -1.805  -1.294  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.165  -0.933  -1.790  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.296  -2.211   0.552  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.053  -0.684   1.069  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    6    1    1                                       
CONECT    3    4    2                                                 
CONECT    4    3    5   32   33                                       
CONECT    5    4   34   35   36                                       
CONECT    6    9    7    2                                            
CONECT    7    6    8   37   38                                       
CONECT    8   11    7   39   40                                       
CONECT    9   10    6   41   42                                       
CONECT   10    9   11   43   44                                       
CONECT   11   10   12    8                                            
CONECT   12   14   11   13   13                                       
CONECT   13   12   12                                                 
CONECT   14   15   12   45                                            
CONECT   15   16   16   14   21                                       
CONECT   16   17   18   15   15                                       
CONECT   17   16   46   47   48                                       
CONECT   18   19   16   22   22                                       
CONECT   19   20   20   25   18                                       
CONECT   20   19   19                                                 
CONECT   21   22   15                                                 
CONECT   22   18   18   23   21                                       
CONECT   23   24   24   22                                            
CONECT   24   25   26   23   23                                       
CONECT   25   31   19   24                                            
CONECT   26   27   24   49   50                                       
CONECT   27   28   26   51   52                                       
CONECT   28   30   27   29   53                                       
CONECT   29   28   54   55   56                                       
CONECT   30   31   28   57   58                                       
CONECT   31   30   25   59   60                                       
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   14                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
