SMILES:C(P(=O)(O)O)(P(=O)(O)O)(CCN(CCCCC)C)O	

FORMULA: C9H23NO7P2
MASS: 319.2289
EXACT MASS: 319.0949753
INTERATOMIC DISTANCES

              C   1      P   2      P   3      C   4      O   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   P   2    0.7468     0.0000 
   P   3    0.7425     0.9081     0.0000 
   C   4    0.7425     1.1804     1.4849     0.0000 
   O   5    1.4767     0.7425     1.5645     1.7368     0.0000 
   O   6    1.4742     1.5659     0.7447     2.2123     2.0890     0.0000 
   O   7    0.7425     1.4767     1.0500     1.0500     2.2150     1.5607 
   O   8    1.2875     0.7411     0.9281     1.8858     0.9034     1.2386 
   O   9    1.2896     0.9283     0.7459     1.9678     1.2356     0.9077 
   O  10    1.0500     1.5645     0.7425     1.6602     2.2745     0.9039 
   O  11    0.9070     0.7484     1.4835     0.7396     1.0583     2.2140 
   C  12    1.3673     1.9142     2.0731     0.7375     2.4620     2.7448 
   N  13    2.1026     2.6018     2.8121     1.4271     3.0750     3.4776 
   C  14    2.6035     3.1993     3.2493     2.0250     3.7396     3.8405 
   C  15    2.5115     2.8454     3.2523     1.7720     3.1622     3.9657 
   C  16    3.3099     3.8680     3.9736     2.6876     4.3583     4.5746 
   C  17    4.5630     5.1468     5.1968     3.9670     5.6458     5.7532 
   C  18    3.8650     4.4775     4.4790     3.3042     5.0140     5.0201 
   C  19    5.1394     5.7603     5.7344     4.5875     6.2945     6.2430 

              O   7      O   8      O   9      O  10      O  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   O   8    1.8882     0.0000 
   O   9    1.7811     0.3401     0.0000 
   O  10    0.7425     1.6640     1.4372     0.0000 
   O  11    1.5611     1.4775     1.6749     1.9532     0.0000 
   C  12    1.2831     2.6026     2.6511     2.0185     1.4252     0.0000 
   N  13    1.9772     3.3128     3.3798     2.7196     2.0167     0.7391 
   C  14    2.2810     3.8727     3.8916     2.9972     2.6888     1.2875 
   C  15    2.5649     3.5853     3.7157     3.2937     2.1473     1.2843 
   C  16    3.0159     4.5622     4.5994     3.7323     3.3000     1.9596 
   C  17    4.1964     5.8304     5.8505     4.8781     4.5875     3.2334 
   C  18    3.4670     5.1431     5.1471     4.1405     3.9595     2.5667 
   C  19    4.7061     6.4212     6.4160     5.3496     5.2384     3.8500 

              N  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   N  13    0.0000 
   C  14    0.7426     0.0000 
   C  15    0.7458     1.2864     0.0000 
   C  16    1.2833     0.7354     1.4843     0.0000 
   C  17    2.5708     1.9596     2.6768     1.2875     0.0000 
   C  18    1.9596     1.2792     2.2233     0.7391     0.7426     0.0000 
   C  19    3.2292     2.5625     3.3957     1.9596     0.7354     1.2833 

              C  19
              -----------
   C  19    0.0000 



ATOMIC CHARGES
   C   1    0.2172904388
   P   2    0.1511359723
   P   3    0.1511359723
   C   4    0.0619543222
   O   5   -0.4572513679
   O   6   -0.4572513679
   O   7   -0.2107595822
   O   8   -0.3552609188
   O   9   -0.3552609188
   O  10   -0.3552609188
   O  11   -0.3552609188
   C  12    0.0756105586
   N  13   -0.2713959484
   C  14    0.0721349847
   C  15    0.0896374122
   C  16    0.0173274748
   C  17    0.0000463039
   C  18    0.0014279112
   C  19    0.0000005908


BOND ANGLES


TORSION ANGLES
   5    2    1    3    179.974
   5    2    1    4      0.026
   5    2    1    7    179.974
   8    2    1    3      0.026
   8    2    1    4    179.974
   8    2    1    7      0.026
  11    2    1    3    179.974
  11    2    1    4      0.026
  11    2    1    7    179.974
   6    3    1    2    179.974
   6    3    1    4      0.026
   6    3    1    7      0.026
   9    3    1    2      0.026
   9    3    1    4    179.974
   9    3    1    7    179.974
  10    3    1    2    179.974
  10    3    1    4      0.026
  10    3    1    7      0.026
  12    4    1    2    179.974
  12    4    1    3      0.026
  12    4    1    7      0.026
  13   12    4    1    179.974
  14   13   12    4    179.974
  15   13   12    4      0.026
  16   14   13   12    179.974
  16   14   13   15      0.026
  18   16   14   13    179.974
  19   17   18   16    179.974
  17   18   16   14    179.974


CHIRAL ATOMS
   C     1 is chiral: counterclockwise
   P     2 is chiral: counterclockwise
   P     3 is chiral: counterclockwise
   N    13 is chiral: counterclockwise