SMILES:c1(c(nc(cc1)C)Cl)C(=O)O	

FORMULA: C7H6ClNO2
MASS: 171.5810
EXACT MASS: 171.0087061
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.4458     0.0000 
   N   3    2.4915     1.4301     0.0000 
   C   4    1.4301     2.4915     3.7968     0.0000 
   C   5    1.4301     2.4915     2.8792     2.4750     0.0000 
   O   6    2.5149     3.8346     5.0064     1.4585     2.8942     0.0000 
   C   7    2.8700     2.4792     1.4337     4.3000     2.4936     5.2068 
  Cl   8    2.4915     1.4301     2.4750     2.8792     3.7968     4.3376 
   C   9    2.4792     2.8700     2.4936     3.7852     1.4337     4.3279 
   O  10    2.3762     2.7422     4.1723     1.3859     3.6982     2.5100 
   C  11    4.3000     3.7852     2.4792     5.7301     3.7995     6.6035 

              C   7     Cl   8      C   9      O  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
  Cl   8    3.7852     0.0000 
   C   9    1.4458     4.3000     0.0000 
   O  10    5.0440     2.3773     4.8548     0.0000 
   C  11    1.4301     4.9542     2.4915     6.4394     0.0000 



ATOMIC CHARGES
   C   1    0.1081426780
   C   2    0.1442411397
   N   3   -0.2380396935
   C   4    0.3900572263
   C   5    0.0101930814
   O   6   -0.2404657999
   C   7    0.0603253281
  Cl   8   -0.0611295502
   C   9    0.0150194553
   O  10   -0.2404657999
   C  11    0.0521219346


BOND ANGLES
   3    7    9  Nar  Car  Car    119.993
   7    9    5  Car  Car  Car    119.993
   9    7    3  Car  Car  Nar    119.993
   7    3    2  Car  Nar  Car    119.929


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