COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.158  -0.434   0.187  1.00  0.00           C  
HETATM    2  C   UNL     1       5.171  -0.248   1.341  1.00  0.00           C  
HETATM    3  C   UNL     1       3.937   0.457   0.838  1.00  0.00           C  
HETATM    4  C   UNL     1       7.457  -1.029   0.684  1.00  0.00           C  
HETATM    5  C   UNL     1       2.872  -0.278   0.351  1.00  0.00           C  
HETATM    6  C   UNL     1       3.870   1.838   0.870  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.765   4.347  -1.029  1.00  0.00           C  
HETATM    8  C   UNL     1       1.673   1.751  -0.084  1.00  0.00           C  
HETATM    9  C   UNL     1       0.561   3.814  -0.480  1.00  0.00           C  
HETATM   10  C   UNL     1       1.740   0.366  -0.110  1.00  0.00           C  
HETATM   11  C   UNL     1       2.740   2.486   0.411  1.00  0.00           C  
HETATM   12  C   UNL     1       6.929  -2.782  -0.734  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.269   4.770   0.970  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.814  -0.497   0.578  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.097  -1.612   0.988  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.035  -0.655  -0.061  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.816  -3.036   0.114  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.597  -2.878   0.757  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.861   3.924  -0.154  1.00  0.00           N  
HETATM   20  N   UNL     1       7.742  -2.207   0.155  1.00  0.00           N  
HETATM   21  C   UNL     1      -7.535  -1.921  -0.292  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.514  -5.385   0.330  1.00  0.00           C  
HETATM   23  O   UNL     1       0.560   2.386  -0.537  1.00  0.00           O  
HETATM   24  O   UNL     1       8.171  -0.477   1.494  1.00  0.00           O  
HETATM   25  O   UNL     1       7.102  -3.856  -1.275  1.00  0.00           O  
HETATM   26  O   UNL     1      -5.322   0.750   0.806  1.00  0.00           O  
HETATM   27  O   UNL     1      -7.308  -4.283  -0.115  1.00  0.00           O  
HETATM   28  S   UNL     1       5.551  -1.695  -0.984  1.00  0.00           S  
HETATM   29  N   UNL     1      -2.087   1.900  -1.346  1.00  0.00           N  
HETATM   30  C   UNL     1      -2.701   0.757  -1.576  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.753   0.380  -0.878  1.00  0.00           N  
HETATM   32  C   UNL     1      -4.239   1.147   0.094  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.621   2.360   0.370  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.512   2.724  -0.390  1.00  0.00           C  
HETATM   35  H   UNL     1       6.337   0.513  -0.322  1.00  0.00           H  
HETATM   36  H   UNL     1       4.894  -1.222   1.743  1.00  0.00           H  
HETATM   37  H   UNL     1       5.637   0.350   2.125  1.00  0.00           H  
HETATM   38  H   UNL     1       2.926  -1.357   0.331  1.00  0.00           H  
HETATM   39  H   UNL     1       4.701   2.409   1.255  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.730   5.436  -1.069  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.927   3.952  -2.032  1.00  0.00           H  
HETATM   42  H   UNL     1       1.384   4.202  -1.080  1.00  0.00           H  
HETATM   43  H   UNL     1       0.681   4.137   0.554  1.00  0.00           H  
HETATM   44  H   UNL     1       0.911  -0.209  -0.495  1.00  0.00           H  
HETATM   45  H   UNL     1       2.690   3.565   0.433  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.042   5.464   0.641  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.660   4.145   1.773  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.408   5.331   1.333  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.148  -1.489   1.489  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.596   0.213  -0.377  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.037  -3.746   1.073  1.00  0.00           H  
HETATM   52  H   UNL     1       8.557  -2.662   0.417  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.484  -2.044  -0.793  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.020  -6.319   0.087  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.544  -5.357  -0.166  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.373  -5.319   1.409  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.331   0.112  -2.358  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.992   3.006   1.153  1.00  0.00           H  
CONECT    1   28    2    4   35                                       
CONECT    2    3    1   36   37                                       
CONECT    3    5    5    6    2                                       
CONECT    4    1   20   24   24                                       
CONECT    5   10    3    3   38                                       
CONECT    6   11   11    3   39                                       
CONECT    7   19    9   40   41                                       
CONECT    8   23   10   10   11                                       
CONECT    9    7   23   42   43                                       
CONECT   10    8    8    5   44                                       
CONECT   11    8    6    6   45                                       
CONECT   12   28   25   25   20                                       
CONECT   13   19   46   47   48                                       
CONECT   14   16   16   15   26                                       
CONECT   15   18   18   14   49                                       
CONECT   16   21   14   14   50                                       
CONECT   17   27   21   21   18                                       
CONECT   18   17   15   15   51                                       
CONECT   19   34   13    7                                            
CONECT   20   12    4   52                                            
CONECT   21   17   17   16   53                                       
CONECT   22   27   54   55   56                                       
CONECT   23    9    8                                                 
CONECT   24    4    4                                                 
CONECT   25   12   12                                                 
CONECT   26   14   32                                                 
CONECT   27   22   17                                                 
CONECT   28    1   12                                                 
CONECT   29   30   30   34                                            
CONECT   30   31   29   29   57                                       
CONECT   31   32   32   30                                            
CONECT   32   26   31   31   33                                       
CONECT   33   32   34   34   58                                       
CONECT   34   33   33   29   19                                       
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   18                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   30                                                      
CONECT   58   33                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
