COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.451  -0.293  -1.813  1.00  0.00           N  
HETATM    2  CA  UNL     1       5.497  -0.351  -0.346  1.00  0.00           C  
HETATM    3  C   UNL     1       6.819  -0.927   0.093  1.00  0.00           C  
HETATM    4  O   UNL     1       7.480  -1.579  -0.680  1.00  0.00           O  
HETATM    5  CB  UNL     1       4.359  -1.237   0.166  1.00  0.00           C  
HETATM    6  OG  UNL     1       3.085  -0.620  -0.155  1.00  0.00           O  
HETATM    7  OXT UNL     1       7.261  -0.716   1.342  1.00  0.00           O  
HETATM    8  S   UNL     1       1.696   1.816  -0.128  1.00  0.00           S  
HETATM    9  C   UNL     1       1.111   3.418   0.518  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.343   3.548   0.108  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.813   4.707  -0.342  1.00  0.00           C  
HETATM   12  CA  UNL     1      -1.227   2.380   0.214  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.687   2.628   0.076  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.106   3.765   0.014  1.00  0.00           O  
HETATM   15  OXT UNL     1      -3.543   1.590   0.019  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.863   1.174   0.413  1.00  0.00           N  
HETATM   17  C   UNL     1       0.488   0.672   0.602  1.00  0.00           C  
HETATM   18  C   UNL     1       0.618  -0.697  -0.070  1.00  0.00           C  
HETATM   19  C   UNL     1       1.977  -1.276   0.228  1.00  0.00           C  
HETATM   20  O   UNL     1       2.071  -2.330   0.812  1.00  0.00           O  
HETATM   21  N   UNL     1      -0.418  -1.594   0.446  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.650  -1.587  -0.101  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.900  -0.836  -1.021  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.716  -2.510   0.430  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.010  -2.302  -0.360  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.137  -3.225   0.173  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.471  -2.622  -0.301  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.468  -1.108  -0.007  1.00  0.00           C  
HETATM   29  S   UNL     1      -4.701  -0.630  -0.055  1.00  0.00           S  
HETATM   30  H1  UNL     1       6.152   0.337  -2.172  1.00  0.00           H  
HETATM   31  H2  UNL     1       5.552  -1.213  -2.215  1.00  0.00           H  
HETATM   32  HA  UNL     1       5.386   0.654   0.061  1.00  0.00           H  
HETATM   33  HXT UNL     1       8.114  -1.106   1.578  1.00  0.00           H  
HETATM   34  HB1 UNL     1       4.419  -2.216  -0.310  1.00  0.00           H  
HETATM   35  HB2 UNL     1       4.446  -1.352   1.246  1.00  0.00           H  
HETATM   36  H   UNL     1       1.195   3.435   1.605  1.00  0.00           H  
HETATM   37  H   UNL     1       1.696   4.230   0.086  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.198   5.594  -0.295  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.809   4.762  -0.755  1.00  0.00           H  
HETATM   40  HXT UNL     1      -4.482   1.801  -0.071  1.00  0.00           H  
HETATM   41  H   UNL     1       0.689   0.568   1.668  1.00  0.00           H  
HETATM   42  H   UNL     1       0.499  -0.586  -1.147  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.218  -2.194   1.182  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.388  -3.544   0.324  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.895  -2.292   1.483  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.843  -2.465  -1.425  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.018  -4.230  -0.231  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.109  -3.256   1.262  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.586  -2.787  -1.372  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.296  -3.096   0.231  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.027  -0.571  -0.774  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.890  -0.911   0.978  1.00  0.00           H  
CONECT    1    2   30   31                                            
CONECT    2    1    3    5   32                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   34   35                                       
CONECT    6    5   19                                                 
CONECT    7    3   33                                                 
CONECT    8   17    9                                                 
CONECT    9    8   10   36   37                                       
CONECT   10    9   12   11   11                                       
CONECT   11   10   10   38   39                                       
CONECT   12   10   16   16   13                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   40                                                 
CONECT   16   12   12   17                                            
CONECT   17    8   16   18   41                                       
CONECT   18   17   19   21   42                                       
CONECT   19    6   18   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   18   22   43                                            
CONECT   22   21   24   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   44   45                                       
CONECT   25   24   29   26   46                                       
CONECT   26   25   27   47   48                                       
CONECT   27   26   28   49   50                                       
CONECT   28   27   29   51   52                                       
CONECT   29   25   28                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    7                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   21                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
