SMILES:BrCCCCCCCCCCCCCCCCO	

FORMULA: C16H33BrO
MASS: 321.3366
EXACT MASS: 320.1714777
INTERATOMIC DISTANCES

             Br   1      O   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Br   1    0.0000 
   O   2   10.9394     0.0000 
   C   3    0.7463    10.2833     0.0000 
   C   4   10.2875     0.7426     9.6445     0.0000 
   C   5    1.2875     9.6528     0.7354     9.0000     0.0000 
   C   6    9.6570     1.2833     9.0000     0.7354     8.3705     0.0000 
   C   7    7.0845     3.8583     6.4250     3.2334     5.7991     2.5750 
   C   8    7.7208     3.2334     7.0803     2.5667     6.4333     1.9637 
   C   9    8.3705     2.5708     7.7125     1.9596     7.0845     1.2875 
   C  10    9.0083     1.9596     8.3663     1.2792     7.7208     0.7391 
   C  11    2.5750     8.3663     1.9596     7.7125     1.2875     7.0845 
   C  12    1.9678     9.0000     1.2833     8.3622     0.7426     7.7167 
   C  13    3.2416     7.7125     2.5708     7.0762     1.9678     6.4292 
   C  14    3.8625     7.0803     3.2334     6.4250     2.5750     5.7991 
   C  15    4.5149     6.4333     3.8500     5.7991     3.2334     5.1500 
   C  16    5.1500     5.7949     4.5149     5.1375     3.8625     4.5149 
   C  17    5.7991     5.1458     5.1375     4.5149     4.5149     3.8625 
   C  18    6.4333     4.5149     5.7949     3.8542     5.1458     3.2375 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.7426     0.0000 
   C   9    1.2875     0.7391     0.0000 
   C  10    1.9678     1.2875     0.7426     0.0000 
   C  11    4.5149     5.1458     5.7991     6.4333     0.0000 
   C  12    5.1417     5.7991     6.4292     7.0845     0.7391     0.0000 
   C  13    3.8542     4.5149     5.1417     5.7991     0.7426     1.2875 
   C  14    3.2334     3.8583     4.5149     5.1458     1.2875     1.9637 
   C  15    2.5750     3.2416     3.8625     4.5232     1.9596     2.5667 
   C  16    1.9596     2.5708     3.2334     3.8583     2.5750     3.2375 
   C  17    1.2875     1.9678     2.5750     3.2416     3.2334     3.8542 
   C  18    0.7391     1.2875     1.9637     2.5750     3.8583     4.5149 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    0.7391     0.0000 
   C  15    1.2792     0.7354     0.0000 
   C  16    1.9637     1.2875     0.7463     0.0000 
   C  17    2.5667     1.9596     1.2875     0.7354     0.0000 
   C  18    3.2334     2.5708     1.9678     1.2833     0.7426     0.0000 




ATOMIC CHARGES
  Br   1   -0.0807824816
   O   2   -0.2204259956
   C   3    0.0676159100
   C   4    0.1821034311
   C   5    0.0122355867
   C   6    0.0355472631
   C   7    0.0000000042
   C   8    0.0000010495
   C   9    0.0000840175
   C  10    0.0026902302
   C  11    0.0000279338
   C  12    0.0009027022
   C  13    0.0000003475
   C  14    0.0000000014
   C  15    0.0000000000
   C  16    0.0000000000
   C  17    0.0000000000
   C  18    0.0000000000


BOND ANGLES


TORSION ANGLES
   2    4    6   10    179.974
  12    5    3    1    179.974
   4    6   10    9    179.974
   8    7   18   17    179.974
   9    8    7   18    179.974
  10    9    8    7    179.974
   6   10    9    8    179.974
  13   11   12    5    179.974
  11   12    5    3    179.974
  14   13   11   12    179.974
  15   14   13   11    179.974
  16   15   14   13    179.974
  17   16   15   14    179.974
  18   17   16   15    179.974
   7   18   17   16    179.974