SMILES:NC(=O)CCCCCC(=O)O	

FORMULA: C7H13NO3
MASS: 159.1830
EXACT MASS: 159.0895433
INTERATOMIC DISTANCES

              N   1      C   2      O   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.8254     0.0000 
   O   3    1.4295     0.8250     0.0000 
   C   4    1.4250     0.8233     1.4301     0.0000 
   C   5    2.1785     1.4250     1.6482     0.8254     0.0000 
   C   6    2.8542     2.1796     2.4732     1.4292     0.8250     0.0000 
   C   7    3.5921     2.8539     2.9715     2.1831     1.4289     0.8250 
   C   8    4.2831     3.5926     3.7778     2.8581     2.1827     1.4289 
   C   9    5.0143     4.2828     4.3620     3.5964     2.8578     2.1827 
   O  10    5.7122     5.0147     5.1489     4.2872     3.5961     2.8579 
   O  11    5.1478     4.3609     4.2825     3.7810     2.9746     2.4750 

              C   7      C   8      C   9      O  10      O  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    0.8250     0.0000 
   C   9    1.4289     0.8250     0.0000 
   O  10    2.1828     1.4290     0.8251     0.0000 
   O  11    1.6500     1.4290     0.8250     1.4290     0.0000 



ATOMIC CHARGES
   N   1   -0.0877937940
   C   2    0.2607286864
   O   3   -0.2716535678
   C   4    0.0885299482
   C   5    0.0096855419
   C   6    0.0010767980
   C   7    0.0118154189
   C   8    0.1140594025
   C   9    0.3648592664
   O  10   -0.2456538502
   O  11   -0.2456538502


BOND ANGLES
   3    2    4   O2   C2   C3    120.360
   2    4    5   C2   C3   C3    119.617
   4    2    3   C3   C2   O2    120.360
  11    9   10 O.co2  Cac O.co2    119.997
  10    9   11 O.co2  Cac O.co2    119.997


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