COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       0.515   0.775  -1.588  1.00  0.00           S  
HETATM    2  C   UNL     1      -7.307  -0.950   0.475  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.297   0.336   0.477  1.00  0.00           N  
HETATM    4  O   UNL     1      -5.920  -0.890   0.137  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.031   0.517   0.220  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.887  -0.448  -0.476  1.00  0.00           N  
HETATM    7  O   UNL     1      -2.119   2.149   0.249  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.410   1.829   0.470  1.00  0.00           C  
HETATM    9  N   UNL     1       0.860  -1.630  -0.518  1.00  0.00           N  
HETATM   10  O   UNL     1      -3.751  -1.645  -0.630  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.040   2.932   0.965  1.00  0.00           C  
HETATM   12  N   UNL     1       6.405   2.802  -0.091  1.00  0.00           N  
HETATM   13  O   UNL     1      -0.463  -3.190   0.602  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.073   3.951   1.039  1.00  0.00           C  
HETATM   15  O   UNL     1       4.647   1.272  -0.195  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.912   3.430   0.591  1.00  0.00           C  
HETATM   17  O   UNL     1       6.555   0.786   0.827  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.218  -0.597  -0.323  1.00  0.00           C  
HETATM   19  OXT UNL     1       3.969  -1.959   1.491  1.00  0.00           O  
HETATM   20  CA  UNL     1      -1.102  -1.501  -1.124  1.00  0.00           C  
HETATM   21  O   UNL     1       2.251  -3.335   1.200  1.00  0.00           O  
HETATM   22  C   UNL     1       0.210  -1.020  -1.704  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.239  -2.289  -0.179  1.00  0.00           C  
HETATM   24  CA  UNL     1       2.143  -1.346  -0.014  1.00  0.00           C  
HETATM   25  C   UNL     1       2.773  -0.241  -0.386  1.00  0.00           C  
HETATM   26  C   UNL     1       2.318   0.798  -1.357  1.00  0.00           C  
HETATM   27  C   UNL     1       4.118  -0.004   0.252  1.00  0.00           C  
HETATM   28  C   UNL     1       5.893   1.591   0.203  1.00  0.00           C  
HETATM   29  C   UNL     1       2.786  -2.278   0.929  1.00  0.00           C  
HETATM   30  H   UNL     1      -7.711  -1.919   0.182  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.425  -0.818   1.550  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.844  -0.160  -0.050  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.450   0.357  -0.157  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.080   3.009   1.245  1.00  0.00           H  
HETATM   35  H   UNL     1       7.273   3.059   0.257  1.00  0.00           H  
HETATM   36  H   UNL     1       5.906   3.417  -0.651  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.230   4.961   1.388  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.971   3.956   0.520  1.00  0.00           H  
HETATM   39  HXT UNL     1       4.388  -2.632   2.044  1.00  0.00           H  
HETATM   40  HA  UNL     1      -1.690  -2.114  -1.807  1.00  0.00           H  
HETATM   41  H   UNL     1       0.491  -1.456  -2.663  1.00  0.00           H  
HETATM   42  H   UNL     1       2.801   0.619  -2.318  1.00  0.00           H  
HETATM   43  H   UNL     1       2.616   1.780  -0.991  1.00  0.00           H  
HETATM   44  H   UNL     1       4.802  -0.802  -0.036  1.00  0.00           H  
HETATM   45  H   UNL     1       4.009   0.008   1.336  1.00  0.00           H  
CONECT    1   22   26                                                 
CONECT    2    4   30   31   32                                       
CONECT    3    4    5    5                                            
CONECT    4    2    3                                                 
CONECT    5    3    3   18    8                                       
CONECT    6   18   20   33                                            
CONECT    7    8   16                                                 
CONECT    8    7    5   11   11                                       
CONECT    9   23   22   24                                            
CONECT   10   18   18                                                 
CONECT   11    8    8   34   14                                       
CONECT   12   35   36   28                                            
CONECT   13   23   23                                                 
CONECT   14   11   16   16   37                                       
CONECT   15   27   28                                                 
CONECT   16   14   14    7   38                                       
CONECT   17   28   28                                                 
CONECT   18    5    6   10   10                                       
CONECT   19   39   29                                                 
CONECT   20    6   40   22   23                                       
CONECT   21   29   29                                                 
CONECT   22    1    9   20   41                                       
CONECT   23    9   13   13   20                                       
CONECT   24    9   25   25   29                                       
CONECT   25   24   24   26   27                                       
CONECT   26   25    1   42   43                                       
CONECT   27   15   25   44   45                                       
CONECT   28   17   17   12   15                                       
CONECT   29   21   21   19   24                                       
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    6                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   22                                                      
CONECT   42   26                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
