COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.804  -2.646   0.730  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.944   0.319   0.788  1.00  0.00           C  
HETATM    3  N   UNL     1       1.123  -0.625  -0.233  1.00  0.00           N  
HETATM    4  O   UNL     1      -4.907   1.557  -1.926  1.00  0.00           O  
HETATM    5  S   UNL     1      -2.391  -0.074   1.800  1.00  0.00           S  
HETATM    6  C   UNL     1      -3.931   0.719  -1.541  1.00  0.00           C  
HETATM    7  N   UNL     1       4.471  -1.991  -0.846  1.00  0.00           N  
HETATM    8  OXT UNL     1      -3.852  -0.382  -2.031  1.00  0.00           O  
HETATM    9  C   UNL     1       2.308  -1.236  -0.036  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.713   0.357  -0.650  1.00  0.00           N  
HETATM   11  O   UNL     1       2.430  -2.050   0.855  1.00  0.00           O  
HETATM   12  CA  UNL     1       3.482  -0.908  -0.922  1.00  0.00           C  
HETATM   13  OXT UNL     1      -0.313  -2.714  -0.900  1.00  0.00           O  
HETATM   14  C   UNL     1       4.113   0.382  -0.463  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.577   0.999   0.896  1.00  0.00           C  
HETATM   16  C   UNL     1       3.831   1.563  -1.124  1.00  0.00           C  
HETATM   17  C   UNL     1       4.410   2.745  -0.703  1.00  0.00           C  
HETATM   18  C   UNL     1       5.270   2.747   0.378  1.00  0.00           C  
HETATM   19  C   UNL     1       5.552   1.566   1.040  1.00  0.00           C  
HETATM   20  C   UNL     1       4.969   0.385   0.623  1.00  0.00           C  
HETATM   21  CA  UNL     1      -2.935   1.152  -0.496  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.990   0.237   0.647  1.00  0.00           C  
HETATM   23  CA  UNL     1      -0.018  -0.945   0.628  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.723  -2.166   0.097  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.707   2.359   1.586  1.00  0.00           C  
HETATM   26  H   UNL     1      -2.223  -3.431   0.352  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.345   0.149   1.787  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.625   0.960   0.227  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.835  -0.635   0.272  1.00  0.00           H  
HETATM   30  H   UNL     1       1.026   0.025  -0.946  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.522   1.235  -2.599  1.00  0.00           H  
HETATM   32  H1  UNL     1       5.238  -1.825  -1.480  1.00  0.00           H  
HETATM   33  H2  UNL     1       4.803  -2.112   0.100  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.115   0.748  -1.363  1.00  0.00           H  
HETATM   35  HA  UNL     1       3.141  -0.799  -1.951  1.00  0.00           H  
HETATM   36  H   UNL     1       3.158   1.561  -1.969  1.00  0.00           H  
HETATM   37  H   UNL     1       4.189   3.668  -1.220  1.00  0.00           H  
HETATM   38  H   UNL     1       5.723   3.671   0.707  1.00  0.00           H  
HETATM   39  H   UNL     1       6.225   1.568   1.884  1.00  0.00           H  
HETATM   40  H   UNL     1       5.189  -0.538   1.139  1.00  0.00           H  
HETATM   41  HA  UNL     1      -2.692   2.202  -0.657  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.473   1.164   0.896  1.00  0.00           H  
HETATM   43  HA  UNL     1       0.335  -1.141   1.641  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.729   2.838   1.631  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.395   2.989   1.021  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.090   2.218   2.596  1.00  0.00           H  
CONECT    1   24   26                                                 
CONECT    2   15   27   28   29                                       
CONECT    3    9   23   30                                            
CONECT    4    6   31                                                 
CONECT    5   15   22                                                 
CONECT    6    4   21    8    8                                       
CONECT    7   12   32   33                                            
CONECT    8    6    6                                                 
CONECT    9    3   12   11   11                                       
CONECT   10   22   21   34                                            
CONECT   11    9    9                                                 
CONECT   12    7    9   14   35                                       
CONECT   13   24   24                                                 
CONECT   14   12   16   16   20                                       
CONECT   15    2    5   25   21                                       
CONECT   16   14   14   17   36                                       
CONECT   17   16   18   18   37                                       
CONECT   18   17   17   19   38                                       
CONECT   19   18   20   20   39                                       
CONECT   20   14   19   19   40                                       
CONECT   21    6   10   15   41                                       
CONECT   22    5   10   23   42                                       
CONECT   23    3   22   24   43                                       
CONECT   24    1   13   13   23                                       
CONECT   25   15   44   45   46                                       
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
