SMILES:C1=Cc2c(C1)cccc2	

FORMULA: C9H8
MASS: 116.1598
EXACT MASS: 116.0626003
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.2083     0.0000 
   C   3    0.7517     0.7471     0.0000 
   C   4    1.2070     0.7375     1.2051     0.0000 
   C   5    0.7450     1.2017     1.2083     0.7457     0.0000 
   C   6    1.9407     0.7432     1.3570     1.2843     1.9062     0.0000 
   C   7    1.9392     1.2843     1.9092     0.7432     1.3574     1.4875 
   C   8    2.4649     1.4838     2.2212     1.2875     2.0094     1.2864 
   C   9    2.4655     1.2875     2.0099     1.4838     2.2194     0.7468 

              C   7      C   8      C   9
              ---------------------------------
   C   7    0.0000 
   C   8    0.7468     0.0000 
   C   9    1.2864     0.7375     0.0000 



ATOMIC CHARGES
   C   1   -0.0214261772
   C   2   -0.0039554852
   C   3   -0.0045390095
   C   4   -0.0177981392
   C   5    0.0522996736
   C   6   -0.0003125231
   C   7   -0.0039362882
   C   8   -0.0003122799
   C   9   -0.0000197711


BOND ANGLES
   4    2    3  Car  Car   C2    108.537
   2    3    1  Car   C2   C2    107.447
   8    9    6  Car  Car  Car    120.143
   9    6    2  Car  Car  Car    119.556
   3    2    4   C2  Car  Car    108.537
   2    4    5  Car  Car   C3    108.231
   6    9    8  Car  Car  Car    120.143
   9    8    7  Car  Car  Car    120.143


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