SMILES:n1(c2c(nc1)c(ncn2)N)[C@@H]1O[C@@H](CC1)CO	

FORMULA: C10H13N5O2
MASS: 235.2425
EXACT MASS: 235.1069247
INTERATOMIC DISTANCES

              N   1      C   2      C   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7377     0.0000 
   C   3    1.1941     0.7354     0.0000 
   N   4    1.1949     1.1939     0.7412     0.0000 
   C   5    0.7370     1.1941     1.1980     0.7413     0.0000 
   C   6    0.7412     1.3189     1.9127     1.9132     1.3151     0.0000 
   C   7    1.8981     1.2833     0.7426     1.3534     1.9301     2.5805 
   N   8    1.3581     0.7500     1.2859     1.9041     1.9335     1.6758 
   O   9    1.3217     1.6149     2.3259     2.5093     2.0046     0.7404 
   N  10    2.2142     1.4864     1.2900     2.0079     2.4572     2.7798 
   C  11    2.0026     1.2894     1.4875     2.2179     2.4552     2.4051 
   C  12    1.3310     2.0159     2.5178     2.3356     1.6189     0.7471 
   N  13    2.4777     1.9612     1.2875     1.6100     2.3186     3.2002 
   C  14    1.9209     2.3315     3.0205     3.1103     2.5093     1.2021 
   C  15    1.9252     2.5178     3.1140     3.0245     2.3298     1.2065 
   O  16    3.2027     3.5990     4.3000     4.3868     3.7585     2.4736 
   C  17    2.6156     2.9298     3.6487     3.8105     3.2396     1.9250 

              C   7      N   8      O   9      N  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   N   8    1.4864     0.0000 
   O   9    2.8823     1.6322     0.0000 
   N  10    0.7500     1.2833     2.8921     0.0000 
   C  11    1.2935     0.7375     2.3510     0.7447     0.0000 
   C  12    3.2291     2.4229     1.1950     3.4976     3.1509     0.0000 
   N  13    0.7432     2.2296     3.5759     1.2951     1.9736     3.7898 
   C  14    3.6096     2.3674     0.7413     3.6329     3.0764     1.1922 
   C  15    3.7867     2.7560     1.2010     3.9490     3.4921     0.7354 
   O  16    4.8661     3.5386     1.9851     4.8216     4.2001     2.2617 
   C  17    4.1772     2.8134     1.3246     4.0964     3.4630     1.9165 

              N  13      C  14      C  15      O  16      C  17
              -------------------------------------------------------
   N  13    0.0000 
   C  14    4.2893     0.0000 
   C  15    4.4009     0.7421     0.0000 
   O  16    5.5602     1.2847     1.5474     0.0000 
   C  17    4.8861     0.7467     1.3269     0.7421     0.0000 



ATOMIC CHARGES
   N   1   -0.2715021986
   C   2    0.1691031451
   C   3    0.1517640973
   N   4   -0.2192846372
   C   5    0.1815319541
   C   6    0.2068545169
   C   7    0.1918774216
   N   8   -0.2047811404
   O   9   -0.3351959719
   N  10   -0.2040311175
   C  11    0.2015779729
   C  12    0.0565605383
   N  13   -0.1054221013
   C  14    0.1502731735
   C  15    0.0369320231
   O  16   -0.2177044514
   C  17    0.2114467755


BOND ANGLES
   4    3    2  Nar  Car  Car    107.901
   3    2    1  Car  Car  Nar    108.295
   7   10   11  Car  Nar  Car    119.863
  10   11    8  Nar  Car  Nar    119.952
  17   14    9   C3   C3   O3    125.800
  14    9    6   C3   O3   C3    108.453
  14   15   12   C3   C3   C3    107.591
  15   12    6   C3   C3   C3    108.934
   9   14   17   O3   C3   C3    125.800
   2    3    4  Car  Car  Nar    107.901
   3    4    5  Car  Nar  Car    107.814
  12   15   14   C3   C3   C3    107.591
  15   14    9   C3   C3   O3    108.124
  15   14   17   C3   C3   C3    126.076
  11   10    7  Car  Nar  Car    119.863
  10    7    3  Nar  Car  Car    119.589


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


CHIRAL ATOMS
   N     1 is chiral: counterclockwise
   C     6 is chiral: counterclockwise
   C    14 is chiral: clockwise