COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.804   0.946  -0.118  1.00  0.00           C  
HETATM    2  C   UNL     1       4.653  -0.329  -0.084  1.00  0.00           C  
HETATM    3  C   UNL     1       4.039  -3.809  -1.082  1.00  0.00           C  
HETATM    4  N   UNL     1       3.839  -1.468  -0.530  1.00  0.00           N  
HETATM    5  C   UNL     1       4.814  -4.944  -1.218  1.00  0.00           C  
HETATM    6  O   UNL     1       1.285   1.038   2.739  1.00  0.00           O  
HETATM    7  C   UNL     1       6.751  -3.711  -0.530  1.00  0.00           C  
HETATM    8  C   UNL     1       4.621  -2.618  -0.669  1.00  0.00           C  
HETATM    9  C   UNL     1       5.981  -2.572  -0.393  1.00  0.00           C  
HETATM   10  O   UNL     1       3.286   2.457   2.260  1.00  0.00           O  
HETATM   11  C   UNL     1       2.711  -1.706   0.381  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.036   2.513   0.496  1.00  0.00           C  
HETATM   13  C   UNL     1       1.782  -0.487   0.365  1.00  0.00           C  
HETATM   14  N   UNL     1       2.579   0.712   0.663  1.00  0.00           N  
HETATM   15  C   UNL     1       6.167  -4.896  -0.938  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.788   1.463   1.009  1.00  0.00           C  
HETATM   17  C   UNL     1       0.331   4.285  -1.220  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.949   1.069   0.376  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.376   1.717  -0.779  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.434  -0.163  -0.531  1.00  0.00           C  
HETATM   21  O   UNL     1       1.354   4.635  -0.666  1.00  0.00           O  
HETATM   22  N   UNL     1       1.137   2.905   1.132  1.00  0.00           N  
HETATM   23  C   UNL     1      -5.737  -0.728  -1.100  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.080   4.915  -2.338  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.638   2.765  -1.302  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.461   3.171  -0.669  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.214  -1.863  -0.230  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.802  -3.156  -0.494  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.240  -4.197   0.303  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.089  -3.945   1.365  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.500  -2.652   1.629  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.059  -1.610   0.834  1.00  0.00           C  
HETATM   33  S   UNL     1       2.111   1.773   1.846  1.00  0.00           S  
HETATM   34  S   UNL     1      -3.860   1.203  -1.577  1.00  0.00           S  
HETATM   35  H   UNL     1       4.365   1.771   0.319  1.00  0.00           H  
HETATM   36  H   UNL     1       3.543   1.185  -1.149  1.00  0.00           H  
HETATM   37  H   UNL     1       5.510  -0.213  -0.747  1.00  0.00           H  
HETATM   38  H   UNL     1       5.001  -0.507   0.934  1.00  0.00           H  
HETATM   39  H   UNL     1       2.982  -3.847  -1.302  1.00  0.00           H  
HETATM   40  H   UNL     1       4.363  -5.870  -1.544  1.00  0.00           H  
HETATM   41  H   UNL     1       7.808  -3.677  -0.312  1.00  0.00           H  
HETATM   42  H   UNL     1       6.437  -1.648  -0.070  1.00  0.00           H  
HETATM   43  H   UNL     1       2.160  -2.587   0.054  1.00  0.00           H  
HETATM   44  H   UNL     1       3.086  -1.865   1.391  1.00  0.00           H  
HETATM   45  H   UNL     1       1.324  -0.387  -0.619  1.00  0.00           H  
HETATM   46  H   UNL     1       1.005  -0.610   1.120  1.00  0.00           H  
HETATM   47  H   UNL     1       6.771  -5.785  -1.044  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.463   0.955   1.905  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.529   0.252   0.779  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.608   0.203   0.481  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.677  -0.947  -0.509  1.00  0.00           H  
HETATM   52  H   UNL     1       1.385   3.843   1.156  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.494   0.055  -1.122  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.563  -1.094  -2.112  1.00  0.00           H  
HETATM   55  H   UNL     1       0.472   5.639  -2.662  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.971   3.267  -2.199  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.139  -3.353  -1.323  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.918  -5.207   0.097  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.431  -4.759   1.987  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.163  -2.455   2.458  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.377  -0.600   1.043  1.00  0.00           H  
CONECT    1   14    2   35   36                                       
CONECT    2    1    4   37   38                                       
CONECT    3    8    8    5   39                                       
CONECT    4    2   11    8                                            
CONECT    5    3   15   15   40                                       
CONECT    6   33   33                                                 
CONECT    7    9    9   15   41                                       
CONECT    8    4    3    3    9                                       
CONECT    9    8    7    7   42                                       
CONECT   10   33   33                                                 
CONECT   11   13    4   43   44                                       
CONECT   12   22   16   16   26                                       
CONECT   13   14   11   45   46                                       
CONECT   14   33    1   13                                            
CONECT   15    5    5    7   47                                       
CONECT   16   12   12   18   48                                       
CONECT   17   24   26   21   21                                       
CONECT   18   16   19   19   49                                       
CONECT   19   18   18   25   34                                       
CONECT   20   34   23   50   51                                       
CONECT   21   17   17                                                 
CONECT   22   33   12   52                                            
CONECT   23   20   27   53   54                                       
CONECT   24   17   55                                                 
CONECT   25   26   26   19   56                                       
CONECT   26   12   17   25   25                                       
CONECT   27   28   23   32   32                                       
CONECT   28   29   29   27   57                                       
CONECT   29   28   28   30   58                                       
CONECT   30   29   31   31   59                                       
CONECT   31   30   30   32   60                                       
CONECT   32   27   27   31   61                                       
CONECT   33    6    6   10   10                                       
CONECT   33   14   22                                                 
CONECT   34   19   20                                                 
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   31                                                      
CONECT   61   32                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
