SMILES:c12C(=O)CCc1ccc(c2)O	

FORMULA: C9H8O2
MASS: 148.1586
EXACT MASS: 148.0524295
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7393     0.0000 
   C   3    0.7500     1.2027     0.0000 
   C   4    0.7426     1.3574     1.2900     0.0000 
   C   5    1.2017     0.7426     1.2017     1.9353     0.0000 
   O   6    1.3200     0.7472     1.9264     1.6752     1.3296     0.0000 
   C   7    1.2027     1.2000     0.7393     1.9033     0.7426     1.9257 
   C   8    1.2972     1.9092     0.7468     1.4917     1.9385     2.5951 
   C   9    1.2875     2.0053     1.4859     0.7432     2.4567     2.4100 
   C  10    1.4900     2.2175     1.2875     1.2879     2.4580     2.7859 
   O  11    1.9670     2.6411     2.2305     1.2875     3.1622     2.9197 

              C   7      C   8      C   9      C  10      O  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    1.3583     0.0000 
   C   9    2.2139     1.2879     0.0000 
   C  10    2.0044     0.7432     0.7417     0.0000 
   O  11    2.9572     1.9673     0.7447     1.2864     0.0000 



ATOMIC CHARGES
   C   1    0.0339441928
   C   2    0.1731746403
   C   3   -0.0187785699
   C   4    0.0445513701
   C   5    0.0738136103
   O   6   -0.2913366848
   C   7    0.0345605077
   C   8   -0.0008839235
   C   9    0.1958160089
   C  10    0.0417081119
   O  11   -0.2865692638


BOND ANGLES
   5    7    3   C3   C3  Car    108.379
   7    3    1   C3  Car  Car    107.719
  10    8    3  Car  Car  Car    119.556
   8    3    1  Car  Car  Car    120.143
   3    7    5  Car   C3   C3    108.379
   7    5    2   C3   C3   C2    107.803
   3    8   10  Car  Car  Car    119.556
   8   10    9  Car  Car  Car    120.301


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