SMILES:[n+]1(cc(NC)ccc1)[O-]	

FORMULA: C6H8N2O
MASS: 124.1405
EXACT MASS: 124.0636629
INTERATOMIC DISTANCES

              N   1      C   2      C   3      O   4      N   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.8233     0.0000 
   C   3    1.4280     0.8250     0.0000 
   O   4    0.8250     1.4301     2.1835     0.0000 
   N   5    2.1833     1.4315     0.8254     2.8616     0.0000 
   C   6    0.8233     1.4250     1.6466     1.4259     2.4719     0.0000 
   C   7    1.6500     1.4280     0.8233     2.4750     1.4250     1.4280 
   C   8    1.4280     1.6466     1.4250     2.1807     2.1777     0.8250 
   C   9    2.4777     1.6544     1.4293     2.9821     0.8250     2.9734 

              C   7      C   8      C   9
              ---------------------------------
   C   7    0.0000 
   C   8    0.8233     0.0000 
   C   9    2.1796     2.8543     0.0000 



ATOMIC CHARGES
   N   1   -0.1507821303
   C   2    0.3177944994
   C   3    0.1367276557
   O   4   -0.6186539479
   N   5   -0.2298596980
   C   6    0.3018263236
   C   7    0.0287565097
   C   8    0.0785032071
   C   9    0.1356875808


BOND ANGLES
   7    3    2  Car  Car  Car    120.069
   3    2    1  Car  Car  Nar    120.069
   9    5    3   C3  Npl  Car    120.007
   5    3    2  Npl  Car  Car    120.315
   5    3    7  Npl  Car  Car    119.617
   2    3    7  Car  Car  Car    120.069
   3    7    8  Car  Car  Car    119.863
   3    5    9  Car  Npl   C3    120.007


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