COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -5.392  -1.110  -0.542  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.957   0.033   0.062  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.255   0.026   0.473  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.043  -1.104   0.306  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.518  -2.232  -0.279  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.188  -2.247  -0.709  1.00  0.00           C  
HETATM    7  S   UNL     1      -5.247  -3.522  -1.474  1.00  0.00           S  
HETATM    8  C   UNL     1      -3.817  -2.511  -1.552  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.043  -1.317  -1.042  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.983  -0.247  -0.982  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.300  -0.282   0.386  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.267   0.761   0.444  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.867   2.100   0.387  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.787   3.129   0.047  1.00  0.00           C  
HETATM   15  CA  UNL     1      -1.394   4.534   0.074  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.305   5.556  -0.124  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.128   6.047  -1.213  1.00  0.00           O  
HETATM   18  OXT UNL     1       0.470   5.919   0.910  1.00  0.00           O  
HETATM   19  N   UNL     1      -2.385   4.660  -1.003  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.432   0.609   1.643  1.00  0.00           C  
HETATM   21  C   UNL     1       0.550  -0.547   1.438  1.00  0.00           C  
HETATM   22  O   UNL     1       1.497  -0.222   0.398  1.00  0.00           O  
HETATM   23  C   UNL     1       1.410  -0.753   2.705  1.00  0.00           C  
HETATM   24  O   UNL     1       0.884  -1.819   3.499  1.00  0.00           O  
HETATM   25  C   UNL     1       2.805  -1.125   2.155  1.00  0.00           C  
HETATM   26  O   UNL     1       3.183  -2.432   2.592  1.00  0.00           O  
HETATM   27  C   UNL     1       2.623  -1.100   0.621  1.00  0.00           C  
HETATM   28  N   UNL     1       3.823  -0.564  -0.026  1.00  0.00           N  
HETATM   29  C   UNL     1       4.059   0.743  -0.334  1.00  0.00           C  
HETATM   30  N   UNL     1       5.224   0.863  -0.901  1.00  0.00           N  
HETATM   31  C   UNL     1       5.808  -0.356  -0.993  1.00  0.00           C  
HETATM   32  C   UNL     1       4.919  -1.285  -0.428  1.00  0.00           C  
HETATM   33  N   UNL     1       5.264  -2.568  -0.390  1.00  0.00           N  
HETATM   34  C   UNL     1       6.422  -2.966  -0.872  1.00  0.00           C  
HETATM   35  N   UNL     1       7.291  -2.130  -1.409  1.00  0.00           N  
HETATM   36  C   UNL     1       7.030  -0.830  -1.499  1.00  0.00           C  
HETATM   37  N   UNL     1       7.948   0.039  -2.063  1.00  0.00           N  
HETATM   38  H   UNL     1      -5.356   0.920   0.199  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.675   0.908   0.934  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.071  -1.097   0.636  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.136  -3.109  -0.407  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.870  -2.828  -1.965  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.243  -0.425  -1.763  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.444   0.729  -1.134  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.040  -0.104   1.166  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.839  -1.258   0.538  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.642   2.119  -0.379  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.307   2.342   1.355  1.00  0.00           H  
HETATM   49  H   UNL     1       0.018   3.067   0.779  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.391   2.924  -0.948  1.00  0.00           H  
HETATM   51  HA  UNL     1      -1.880   4.701   1.035  1.00  0.00           H  
HETATM   52  HXT UNL     1       1.105   6.631   0.754  1.00  0.00           H  
HETATM   53  H1  UNL     1      -2.847   5.556  -0.967  1.00  0.00           H  
HETATM   54  H2  UNL     1      -1.959   4.508  -1.906  1.00  0.00           H  
HETATM   55  H   UNL     1       0.123   1.530   1.819  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.067   0.397   2.504  1.00  0.00           H  
HETATM   57  H   UNL     1       0.011  -1.462   1.191  1.00  0.00           H  
HETATM   58  H   UNL     1       1.461   0.167   3.286  1.00  0.00           H  
HETATM   59  H   UNL     1       1.386  -1.992   4.307  1.00  0.00           H  
HETATM   60  H   UNL     1       3.547  -0.390   2.466  1.00  0.00           H  
HETATM   61  H   UNL     1       3.253  -2.521   3.553  1.00  0.00           H  
HETATM   62  H   UNL     1       2.404  -2.100   0.248  1.00  0.00           H  
HETATM   63  H   UNL     1       3.379   1.558  -0.136  1.00  0.00           H  
HETATM   64  H   UNL     1       6.672  -4.016  -0.825  1.00  0.00           H  
HETATM   65  H   UNL     1       7.751   0.988  -2.113  1.00  0.00           H  
HETATM   66  H   UNL     1       8.788  -0.300  -2.409  1.00  0.00           H  
CONECT    1    2    2    6    9                                       
CONECT    2    3    1    1   38                                       
CONECT    3    4    4    2   39                                       
CONECT    4    3    3    5   40                                       
CONECT    5    4    6    6   41                                       
CONECT    6    5    5    1    7                                       
CONECT    7    6    8                                                 
CONECT    8    9    9    7   42                                       
CONECT    9    1   10    8    8                                       
CONECT   10    9   11   43   44                                       
CONECT   11   10   12   45   46                                       
CONECT   12   11   13   20                                            
CONECT   13   14   12   47   48                                       
CONECT   14   15   13   49   50                                       
CONECT   15   14   16   19   51                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   52                                                 
CONECT   19   15   53   54                                            
CONECT   20   12   21   55   56                                       
CONECT   21   20   23   22   57                                       
CONECT   22   21   27                                                 
CONECT   23   24   21   25   58                                       
CONECT   24   23   59                                                 
CONECT   25   23   26   27   60                                       
CONECT   26   25   61                                                 
CONECT   27   22   25   28   62                                       
CONECT   28   27   32   29                                            
CONECT   29   28   30   30   63                                       
CONECT   30   29   29   31                                            
CONECT   31   32   30   36   36                                       
CONECT   32   28   33   33   31                                       
CONECT   33   32   32   34                                            
CONECT   34   33   35   35   64                                       
CONECT   35   34   34   36                                            
CONECT   36   31   31   35   37                                       
CONECT   37   36   65   66                                            
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    8                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   29                                                      
CONECT   64   34                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
