COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.311  -1.604   0.855  1.00  0.00           C  
HETATM    2  C   UNL     1       4.141  -0.712   0.433  1.00  0.00           C  
HETATM    3  C   UNL     1       4.386   0.717   0.921  1.00  0.00           C  
HETATM    4  C   UNL     1       5.682   1.250   0.305  1.00  0.00           C  
HETATM    5  C   UNL     1       6.852   0.359   0.727  1.00  0.00           C  
HETATM    6  C   UNL     1       6.606  -1.071   0.240  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.418  -0.186  -0.761  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.156  -1.320  -1.448  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.772  -1.727  -2.413  1.00  0.00           O  
HETATM   10  N   UNL     1      -1.105  -1.914  -0.884  1.00  0.00           N  
HETATM   11  N   UNL     1      -0.701  -1.104   0.205  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.523  -0.056   0.244  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.481   0.855   1.048  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.393  -3.154  -1.206  1.00  0.00           C  
HETATM   15  C   UNL     1       0.110  -3.739   0.094  1.00  0.00           C  
HETATM   16  C   UNL     1       0.482  -2.993   1.099  1.00  0.00           C  
HETATM   17  C   UNL     1       0.441  -1.482   1.043  1.00  0.00           C  
HETATM   18  C   UNL     1       1.716  -0.957   0.436  1.00  0.00           C  
HETATM   19  O   UNL     1       1.678  -0.295  -0.579  1.00  0.00           O  
HETATM   20  N   UNL     1       2.901  -1.223   1.023  1.00  0.00           N  
HETATM   21  C   UNL     1       8.127   0.884   0.121  1.00  0.00           C  
HETATM   22  N   UNL     1       9.379   0.857   0.694  1.00  0.00           N  
HETATM   23  C   UNL     1      10.235   1.432  -0.193  1.00  0.00           C  
HETATM   24  N   UNL     1       9.553   1.793  -1.253  1.00  0.00           N  
HETATM   25  C   UNL     1       8.261   1.462  -1.085  1.00  0.00           C  
HETATM   26  N   UNL     1      11.597   1.606  -0.007  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.498   0.757  -1.061  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.757   0.352  -0.292  1.00  0.00           C  
HETATM   29  S   UNL     1      -6.094   1.520  -0.665  1.00  0.00           S  
HETATM   30  O   UNL     1      -5.808   2.798  -0.113  1.00  0.00           O  
HETATM   31  O   UNL     1      -6.515   1.383  -2.015  1.00  0.00           O  
HETATM   32  C   UNL     1      -7.463   0.937   0.279  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.658   1.393   1.569  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.732   0.934   2.309  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.610   0.020   1.759  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.415  -0.436   0.469  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.345   0.027  -0.274  1.00  0.00           C  
HETATM   38  H   UNL     1       5.396  -1.600   1.942  1.00  0.00           H  
HETATM   39  H   UNL     1       5.135  -2.622   0.508  1.00  0.00           H  
HETATM   40  H   UNL     1       4.055  -0.716  -0.653  1.00  0.00           H  
HETATM   41  H   UNL     1       3.553   1.352   0.620  1.00  0.00           H  
HETATM   42  H   UNL     1       4.472   0.720   2.007  1.00  0.00           H  
HETATM   43  H   UNL     1       5.596   1.246  -0.781  1.00  0.00           H  
HETATM   44  H   UNL     1       5.857   2.268   0.652  1.00  0.00           H  
HETATM   45  H   UNL     1       6.937   0.362   1.814  1.00  0.00           H  
HETATM   46  H   UNL     1       7.439  -1.705   0.541  1.00  0.00           H  
HETATM   47  H   UNL     1       6.520  -1.074  -0.847  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.072  -3.856  -1.689  1.00  0.00           H  
HETATM   49  H   UNL     1       0.447  -2.937  -1.865  1.00  0.00           H  
HETATM   50  H   UNL     1       0.163  -4.813   0.196  1.00  0.00           H  
HETATM   51  H   UNL     1       0.833  -3.471   2.002  1.00  0.00           H  
HETATM   52  H   UNL     1       0.313  -1.078   2.047  1.00  0.00           H  
HETATM   53  H   UNL     1       2.931  -1.752   1.835  1.00  0.00           H  
HETATM   54  H   UNL     1       7.466   1.633  -1.796  1.00  0.00           H  
HETATM   55  H   UNL     1      12.017   1.306   0.814  1.00  0.00           H  
HETATM   56  H   UNL     1      12.130   2.029  -0.699  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.197   1.761  -0.763  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.705   0.743  -2.131  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.058  -0.652  -0.591  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.549   0.367   0.778  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.971   2.107   1.999  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.884   1.290   3.318  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.449  -0.339   2.338  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.102  -1.151   0.039  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.193  -0.329  -1.282  1.00  0.00           H  
HETATM   66  H   UNL     1       9.606   0.497   1.566  1.00  0.00           H  
CONECT    1    2    6   38   39                                       
CONECT    2    1    3   20   40                                       
CONECT    3    2    4   41   42                                       
CONECT    4    3    5   43   44                                       
CONECT    5    4    6   21   45                                       
CONECT    6    1    5   46   47                                       
CONECT    7    8   12   27                                            
CONECT    8    7   10    9    9                                       
CONECT    9    8    8                                                 
CONECT   10    8   14   11                                            
CONECT   11   10   17   12                                            
CONECT   12    7   11   13   13                                       
CONECT   13   12   12                                                 
CONECT   14   10   15   48   49                                       
CONECT   15   14   16   16   50                                       
CONECT   16   15   15   17   51                                       
CONECT   17   11   16   18   52                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20    2   18   53                                            
CONECT   21    5   25   25   22                                       
CONECT   22   21   23   66                                            
CONECT   23   22   24   24   26                                       
CONECT   24   23   23   25                                            
CONECT   25   21   21   24   54                                       
CONECT   26   23   55   56                                            
CONECT   27    7   28   57   58                                       
CONECT   28   27   29   59   60                                       
CONECT   29   28   32   30   30                                       
CONECT   29   31   31                                                 
CONECT   30   29   29                                                 
CONECT   31   29   29                                                 
CONECT   32   29   37   37   33                                       
CONECT   33   32   34   34   61                                       
CONECT   34   33   33   35   62                                       
CONECT   35   34   36   36   63                                       
CONECT   36   35   35   37   64                                       
CONECT   37   32   32   36   65                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   20                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   33                                                      
CONECT   62   34                                                      
CONECT   63   35                                                      
CONECT   64   36                                                      
CONECT   65   37                                                      
CONECT   66   22                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
