COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.607   2.457  -1.063  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.506   2.145  -0.319  1.00  0.00           C  
HETATM    3  O   UNL     1      -5.376   3.074   0.109  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.655   0.712   0.123  1.00  0.00           C  
HETATM    5  O   UNL     1      -3.539  -0.068  -0.379  1.00  0.00           O  
HETATM    6  C   UNL     1      -2.430  -0.102   0.377  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.426   0.418   1.467  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.190  -0.789  -0.135  1.00  0.00           C  
HETATM    9  S   UNL     1       0.135  -3.138  -0.591  1.00  0.00           S  
HETATM   10  C   UNL     1      -1.234  -2.496   1.688  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.010  -0.219   0.521  1.00  0.00           N  
HETATM   12  C   UNL     1       1.192  -0.278  -0.086  1.00  0.00           C  
HETATM   13  O   UNL     1       1.297  -0.803  -1.174  1.00  0.00           O  
HETATM   14  C   UNL     1       2.405   0.309   0.589  1.00  0.00           C  
HETATM   15  C   UNL     1       3.632   0.110  -0.305  1.00  0.00           C  
HETATM   16  C   UNL     1       4.863   0.706   0.380  1.00  0.00           C  
HETATM   17  CA  UNL     1       6.089   0.507  -0.514  1.00  0.00           C  
HETATM   18  N   UNL     1       6.373  -0.928  -0.644  1.00  0.00           N  
HETATM   19  C   UNL     1       7.278   1.200   0.102  1.00  0.00           C  
HETATM   20  O   UNL     1       7.430   2.526  -0.041  1.00  0.00           O  
HETATM   21  OXT UNL     1       8.093   0.562   0.725  1.00  0.00           O  
HETATM   22  C   UNL     1      -5.964   0.142  -0.427  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.047  -1.351  -0.102  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.147   0.870   0.215  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.272  -2.285   0.174  1.00  0.00           C  
HETATM   26  H   UNL     1      -5.242   3.978  -0.205  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.669   0.668   1.212  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.996   0.281  -1.507  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.112  -0.643  -1.212  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.094   0.201   1.391  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.202  -2.688  -0.226  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.001  -2.836  -1.895  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.079  -1.984   2.148  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.292  -3.562   1.908  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.303  -2.093   2.088  1.00  0.00           H  
HETATM   36  H   UNL     1       2.248   1.374   0.758  1.00  0.00           H  
HETATM   37  H   UNL     1       2.567  -0.191   1.544  1.00  0.00           H  
HETATM   38  H   UNL     1       3.789  -0.955  -0.474  1.00  0.00           H  
HETATM   39  H   UNL     1       3.470   0.610  -1.260  1.00  0.00           H  
HETATM   40  H   UNL     1       4.706   1.771   0.549  1.00  0.00           H  
HETATM   41  H   UNL     1       5.025   0.206   1.335  1.00  0.00           H  
HETATM   42  HA  UNL     1       5.893   0.930  -1.499  1.00  0.00           H  
HETATM   43  H1  UNL     1       6.558  -1.344   0.256  1.00  0.00           H  
HETATM   44  H2  UNL     1       5.617  -1.405  -1.114  1.00  0.00           H  
HETATM   45  H   UNL     1       8.208   2.925   0.372  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.083  -1.486   0.979  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.946  -1.771  -0.552  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.169  -1.858  -0.503  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.089   1.933  -0.016  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.080   0.463  -0.176  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.116   0.731   1.296  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   26                                                 
CONECT    4    2    5   22   27                                       
CONECT    5    4    6                                                 
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   11   25   29                                       
CONECT    9   25   32                                                 
CONECT   10   25   33   34   35                                       
CONECT   11    8   12   30                                            
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   36   37                                       
CONECT   15   14   16   38   39                                       
CONECT   16   15   17   40   41                                       
CONECT   17   16   18   19   42                                       
CONECT   18   17   43   44                                            
CONECT   19   17   20   21   21                                       
CONECT   20   19   45                                                 
CONECT   21   19   19                                                 
CONECT   22    4   23   24   28                                       
CONECT   23   22   46   47   48                                       
CONECT   24   22   49   50   51                                       
CONECT   25    8    9   10   31                                       
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28   22                                                      
CONECT   29    8                                                      
CONECT   30   11                                                      
CONECT   31   25                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   20                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
