SMILES:c1c[n+](ccc1N1CCOCC1)[O-]	

FORMULA: C9H12N2O2
MASS: 180.2038
EXACT MASS: 180.0898776
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8274     0.0000 
   N   3    1.4308     0.8254     0.0000 
   C   4    1.6520     1.4313     0.8272     0.0000 
   C   5    1.4272     1.6525     1.4340     0.8305     0.0000 
   C   6    0.8228     1.4305     1.6530     1.4328     0.8242     0.0000 
   N   7    1.4267     2.1840     2.4780     2.1869     1.4278     0.8250 
   C   8    2.1796     2.8575     2.9747     2.4746     1.6441     1.4270 
   C   9    2.8515     3.5923     3.7771     3.2960     2.4655     2.1769 
   O  10    2.9701     3.7788     4.1236     3.7791     2.9672     2.4706 
   C  11    2.4700     3.2974     3.7787     3.5947     2.8509     2.1777 
   C  12    1.6423     2.4697     2.9704     2.8553     2.1756     1.4226 
   O  13    2.1849     1.4293     0.8250     1.4308     2.1885     2.4780 

              N   7      C   8      C   9      O  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    0.8262     0.0000 
   C   9    1.4248     0.8214     0.0000 
   O  10    1.6456     1.4273     0.8254     0.0000 
   C  11    1.4231     1.6490     1.4289     0.8259     0.0000 
   C  12    0.8199     1.4306     1.6519     1.4329     0.8277     0.0000 
   O  13    3.3030     3.7808     4.5900     4.9486     4.5914     3.7762 

              O  13
              -----------
   O  13    0.0000 



ATOMIC CHARGES
   C   1    0.0916581447
   C   2    0.3030423274
   N   3   -0.1518414372
   C   4    0.3030423274
   C   5    0.0916581447
   C   6    0.0604209238
   N   7   -0.3024503865
   C   8    0.1230755446
   C   9    0.1635667456
   O  10   -0.3501340573
   C  11    0.1635667456
   C  12    0.1230755446
   O  13   -0.6186805674


BOND ANGLES
   1    6    7  Car  Car  Npl    119.944
   6    7    8  Car  Npl   C3    119.576
   6    7   12  Car  Npl   C3    119.727
  12    7    8   C3  Npl   C3    120.697
   7    8    9  Npl   C3   C3    119.707
  13    3    4   O-  Nar  Car    119.992
   3    4    5  Nar  Car  Car    119.778
   8    7   12   C3  Npl   C3    120.697
   7    6    1  Npl  Car  Car    119.944
   6    1    2  Car  Car  Car    120.194
   4    3   13  Car  Nar   O-    119.992


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


CHIRAL ATOMS
   N     7 is chiral: counterclockwise