COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.136   3.078   0.279  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.027   3.914   0.066  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.228   5.305   0.102  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.664   1.793   0.192  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.467   4.936   0.525  1.00  0.00           C  
HETATM    6  C   UNL     1      13.472   2.231  -0.293  1.00  0.00           C  
HETATM    7  C   UNL     1      12.106   2.227   0.396  1.00  0.00           C  
HETATM    8  C   UNL     1      11.163   1.279  -0.348  1.00  0.00           C  
HETATM    9  C   UNL     1       9.796   1.275   0.340  1.00  0.00           C  
HETATM   10  C   UNL     1       8.853   0.327  -0.403  1.00  0.00           C  
HETATM   11  C   UNL     1       7.487   0.323   0.285  1.00  0.00           C  
HETATM   12  C   UNL     1       6.544  -0.625  -0.458  1.00  0.00           C  
HETATM   13  C   UNL     1       5.177  -0.628   0.230  1.00  0.00           C  
HETATM   14  C   UNL     1       4.234  -1.577  -0.513  1.00  0.00           C  
HETATM   15  C   UNL     1       2.868  -1.580   0.175  1.00  0.00           C  
HETATM   16  C   UNL     1       1.925  -2.528  -0.568  1.00  0.00           C  
HETATM   17  C   UNL     1       0.559  -2.532   0.120  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.037  -1.238   0.004  1.00  0.00           O  
HETATM   19  N   UNL     1      -0.307  -3.527  -0.518  1.00  0.00           N  
HETATM   20  S   UNL     1      -1.480  -4.293   0.366  1.00  0.00           S  
HETATM   21  O   UNL     1      -2.159  -5.158  -0.534  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.852  -4.747   1.557  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.489  -3.234   0.788  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.352  -2.801  -0.266  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.319  -1.743   0.270  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.593  -0.557   0.632  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.324  -1.347  -0.829  1.00  0.00           C  
HETATM   28  O   UNL     1      -6.660  -1.629  -0.410  1.00  0.00           O  
HETATM   29  C   UNL     1      -5.119   0.177  -1.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -6.372   0.846  -1.160  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.452   0.568   0.344  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.326   1.866  -0.063  1.00  0.00           C  
HETATM   33  N   UNL     1      -1.955   3.111  -0.136  1.00  0.00           N  
HETATM   34  N   UNL     1      -5.326   3.628   0.500  1.00  0.00           N  
HETATM   35  N   UNL     1      -4.453   5.762   0.335  1.00  0.00           N  
HETATM   36  N   UNL     1      -2.173   6.178  -0.101  1.00  0.00           N  
HETATM   37  H   UNL     1      -6.447   5.350   0.707  1.00  0.00           H  
HETATM   38  H   UNL     1      13.887   1.223  -0.282  1.00  0.00           H  
HETATM   39  H   UNL     1      13.358   2.566  -1.324  1.00  0.00           H  
HETATM   40  H   UNL     1      14.144   2.906   0.237  1.00  0.00           H  
HETATM   41  H   UNL     1      12.219   1.892   1.426  1.00  0.00           H  
HETATM   42  H   UNL     1      11.691   3.235   0.385  1.00  0.00           H  
HETATM   43  H   UNL     1      11.049   1.614  -1.379  1.00  0.00           H  
HETATM   44  H   UNL     1      11.578   0.271  -0.337  1.00  0.00           H  
HETATM   45  H   UNL     1       9.910   0.940   1.371  1.00  0.00           H  
HETATM   46  H   UNL     1       9.381   2.283   0.330  1.00  0.00           H  
HETATM   47  H   UNL     1       8.740   0.662  -1.434  1.00  0.00           H  
HETATM   48  H   UNL     1       9.268  -0.681  -0.392  1.00  0.00           H  
HETATM   49  H   UNL     1       7.600  -0.012   1.316  1.00  0.00           H  
HETATM   50  H   UNL     1       7.072   1.331   0.275  1.00  0.00           H  
HETATM   51  H   UNL     1       6.430  -0.289  -1.489  1.00  0.00           H  
HETATM   52  H   UNL     1       6.959  -1.632  -0.447  1.00  0.00           H  
HETATM   53  H   UNL     1       5.291  -0.964   1.261  1.00  0.00           H  
HETATM   54  H   UNL     1       4.762   0.379   0.219  1.00  0.00           H  
HETATM   55  H   UNL     1       4.121  -1.241  -1.544  1.00  0.00           H  
HETATM   56  H   UNL     1       4.649  -2.584  -0.503  1.00  0.00           H  
HETATM   57  H   UNL     1       2.982  -1.916   1.206  1.00  0.00           H  
HETATM   58  H   UNL     1       2.453  -0.572   0.164  1.00  0.00           H  
HETATM   59  H   UNL     1       1.811  -2.193  -1.599  1.00  0.00           H  
HETATM   60  H   UNL     1       2.340  -3.536  -0.558  1.00  0.00           H  
HETATM   61  H   UNL     1       0.683  -2.781   1.174  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.178  -0.951  -0.909  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.193  -3.738  -1.458  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.756  -2.374  -1.072  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.918  -3.652  -0.644  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.850  -2.132   1.138  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.097  -1.869  -1.759  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.338  -1.346  -1.039  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.457   0.390  -1.839  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.869   0.567  -1.941  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.203   0.690   1.124  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.672   1.016  -0.186  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.283   5.832  -0.269  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.324   7.135  -0.073  1.00  0.00           H  
CONECT    1    2    2   34    4                                       
CONECT    2    3   33    1    1                                       
CONECT    3   36   35   35    2                                       
CONECT    4    1   32   31                                            
CONECT    5   35   34   34   37                                       
CONECT    6    7   38   39   40                                       
CONECT    7    6    8   41   42                                       
CONECT    8    7    9   43   44                                       
CONECT    9    8   10   45   46                                       
CONECT   10    9   11   47   48                                       
CONECT   11   10   12   49   50                                       
CONECT   12   11   13   51   52                                       
CONECT   13   12   14   53   54                                       
CONECT   14   13   15   55   56                                       
CONECT   15   14   16   57   58                                       
CONECT   16   15   17   59   60                                       
CONECT   17   16   19   18   61                                       
CONECT   18   17   62                                                 
CONECT   19   17   20   63                                            
CONECT   20   19   23   21   21                                       
CONECT   20   22   22                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   24   20                                                 
CONECT   24   25   23   64   65                                       
CONECT   25   27   24   26   66                                       
CONECT   26   31   25                                                 
CONECT   27   28   29   25   67                                       
CONECT   28   27   68                                                 
CONECT   29   27   30   31   69                                       
CONECT   30   29   70                                                 
CONECT   31    4   29   26   71                                       
CONECT   32   33   33    4   72                                       
CONECT   33    2   32   32                                            
CONECT   34    5    5    1                                            
CONECT   35    3    3    5                                            
CONECT   36    3   73   74                                            
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
