SMILES:S(c1cc(OC)ccc1)c1ccccc1	

FORMULA: C13H12OS
MASS: 216.2988
EXACT MASS: 216.0608860
INTERATOMIC DISTANCES

              S   1      C   2      C   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   S   1    0.0000 
   C   2    0.8275     0.0000 
   C   3    1.4238     0.8167     0.0000 
   C   4    2.1783     1.4218     0.8239     0.0000 
   C   5    0.8305     1.4333     1.6466     2.4704     0.0000 
   O   6    2.8528     2.1754     1.4290     0.8250     2.9671     0.0000 
   C   7    2.1793     1.4250     1.6476     1.4306     2.8583     2.1850 
   C   8    1.4250     0.8233     1.4250     1.6500     2.1835     2.4751 
   C   9    2.4762     1.6487     1.4334     0.8321     2.9785     1.4348 
   C  10    1.4321     1.6497     1.4250     2.1744     0.8250     2.4633 
   C  11    1.4250     2.1793     2.4648     3.2887     0.8183     3.7672 
   C  12    3.5878     2.8472     2.1788     1.4254     3.7703     0.8218 
   C  13    2.1884     2.4766     2.1811     2.8500     1.4301     2.9614 
   C  14    2.1869     2.8626     2.9745     3.7782     1.4293     4.1198 
   C  15    2.4858     2.9836     2.8625     3.5960     1.6553     3.7754 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8254     0.0000 
   C   9    0.8250     1.4316     0.0000 
   C  10    2.9715     2.4729     2.8583     0.0000 
   C  11    3.5883     2.8500     3.7768     1.4275     0.0000 
   C  12    2.4751     2.9723     1.6502     3.2850     4.5769     0.0000 
   C  13    3.7791     3.2999     3.5973     0.8269     1.6542     3.7636 
   C  14    4.2876     3.5964     4.3709     1.6565     0.8301     4.9415 
   C  15    4.3712     3.7869     4.2958     1.4375     1.4384     4.5845 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    1.4388     0.0000 
   C  15    0.8326     0.8333     0.0000 



ATOMIC CHARGES
   S   1   -0.0868336537
   C   2    0.0324753524
   C   3    0.0433662015
   C   4    0.1392326333
   C   5    0.0294608118
   O   6   -0.4714103058
   C   7    0.0036242521
   C   8    0.0066770136
   C   9    0.0369332140
   C  10    0.0064756422
   C  11    0.0064756422
   C  12    0.2524668834
   C  13    0.0005119825
   C  14    0.0005119825
   C  15    0.0000323480


BOND ANGLES
   4    9    7  Car  Car  Car    119.387
   9    7    8  Car  Car  Car    120.321
  13   15   14  Car  Car  Car    119.462
  15   14   11  Car  Car  Car    119.711
  14   15   13  Car  Car  Car    119.462
  15   13   10  Car  Car  Car    120.045
   7    9    4  Car  Car  Car    119.387
   9    4    3  Car  Car  Car    119.899


TORSION ANGLES
   3    2    1    5      0.026
   8    2    1    5    179.974
   4    3    2    1    179.974
   4    3    2    8      0.026
   6    4    3    2    179.974
   9    4    3    2      0.026
  10    5    1    2      0.026
  11    5    1    2    179.974
  12    6    4    3    179.974
  12    6    4    9      0.026
   9    7    8    2      0.026
   7    8    2    1    179.974
   7    8    2    3      0.026
   4    9    7    8      0.026
  13   10    5    1    179.974
  13   10    5   11      0.026
  14   11    5    1    179.974
  14   11    5   10      0.026
  15   13   10    5      0.026
  15   14   11    5      0.026
  13   15   14   11      0.026
  14   15   13   10      0.026
   7    9    4    3      0.026
   7    9    4    6    179.974