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    0.6024     0.0000 
   C   3    0.5992     0.9727     0.0000 
   C   4    0.9708     0.5989     0.9718     0.0000 
   C   5    0.9707     0.9719     0.6007     0.6011     0.0000 
   C   6    0.6010     1.0722     1.0691     1.5535     1.5534     0.0000 
   N   7    2.0750     2.6365     2.2190     3.0316     2.8187     1.5829 
   C   8    1.0375     1.6064     1.2510     1.9975     1.8350     0.5975 
   O   9    1.0362     1.2526     1.6017     1.8341     1.9961     0.5958 
   C  10    1.5829     2.1049     1.8483     2.5536     2.4291     1.0334 
   C  11    2.6090     3.1422     2.8013     3.5768     3.3987     2.0709 

              N   7      C   8      O   9      C  10      C  11
              -------------------------------------------------------
   N   7    0.0000 
   C   8    1.0375     0.0000 
   O   9    1.7939     1.0341     0.0000 
   C  10    0.6010     0.5975     1.1929     0.0000 
   C  11    0.5975     1.5829     2.1549     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    107.927
   5    3    1  Car  Car  Car    107.999
   9    6    1   O3   C3  Car    119.944
   1    6    9  Car   C3   O3    119.944
   3    5    4  Car  Car  Car    107.927
   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: counterclockwise