SMILES:c1(sccc1)[C@@H](CCNC)O	

FORMULA: C8H13NOS
MASS: 171.2599
EXACT MASS: 171.0717850
INTERATOMIC DISTANCES

              C   1      S   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   S   2    0.6008     0.0000 
   C   3    0.6037     0.9706     0.0000 
   C   4    0.9717     0.5989     0.9680     0.0000 
   C   5    0.9737     0.9719     0.5965     0.6011     0.0000 
   C   6    0.5975     1.0683     1.0725     1.5509     1.5530     0.0000 
   N   7    2.0708     2.6319     2.2201     3.0277     2.8157     1.5828 
   C   8    1.0333     1.6016     1.2530     1.9938     1.8328     0.5974 
   O   9    1.0342     1.2513     1.6056     1.8334     1.9971     0.5959 
   C  10    1.5829     2.1050     1.8540     2.5544     2.4309     1.0375 
   C  11    2.6090     3.1422     2.8066     3.5774     3.3999     2.0750 

              N   7      C   8      O   9      C  10      C  11
              -------------------------------------------------------
   N   7    0.0000 
   C   8    1.0375     0.0000 
   O   9    1.7938     1.0342     0.0000 
   C  10    0.5974     0.6011     1.1965     0.0000 
   C  11    0.6011     1.5870     2.1589     1.0375     0.0000 



ATOMIC CHARGES
   C   1    0.0372940608
   S   2   -0.0883044997
   C   3    0.0051539050
   C   4    0.0351995810
   C   5    0.0072313376
   C   6    0.1815633425
   N   7   -0.2164340566
   C   8    0.0568083861
   O   9   -0.2177045876
   C  10    0.0917392121
   C  11    0.1074533189


BOND ANGLES
   4    5    3  Car  Car  Car    107.843
   5    3    1  Car  Car  Car    108.439
   9    6    1   O3   C3  Car    120.140
   1    6    9  Car   C3   O3    120.140
   3    5    4  Car  Car  Car    107.843
   5    4    2  Car  Car   S2    108.161


TORSION ANGLES
   4    2    1    3      0.026
   4    2    1    6    179.974
   5    3    1    2      0.026
   5    3    1    6    179.974
   5    4    2    1      0.026
   4    5    3    1      0.026
   8    6    1    2    179.974
   8    6    1    3      0.026
   9    6    1    2      0.026
   9    6    1    3    179.974
  11    7   10    8    179.974
  10    8    6    1    179.974
  10    8    6    9      0.026
   7   10    8    6    179.974
   3    5    4    2      0.026


CHIRAL ATOMS
   C     6 is chiral: clockwise