SMILES:n1c(c[nH]c1C)I	

FORMULA: C4H5IN2
MASS: 208.0004
EXACT MASS: 207.9497462
INTERATOMIC DISTANCES

              N   1      C   2      C   3      N   4      C   5      I   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.4625     0.0000 
   C   3    1.4072     2.3236     0.0000 
   N   4    2.3164     2.3203     1.4475     0.0000 
   C   5    2.3328     1.4352     2.3252     1.4279     0.0000 
   I   6    2.5771     1.4200     3.6997     3.6958     2.5441     0.0000 
   C   7    2.5078     3.7037     1.4280     2.5752     3.7139     5.0246 

              C   7
              -----------
   C   7    0.0000 



ATOMIC CHARGES
   N   1   -0.2233787591
   C   2    0.1309796195
   C   3    0.1401847022
   N   4   -0.2271459738
   C   5    0.1251561242
   I   6   -0.0194645640
   C   7    0.0736688510


BOND ANGLES
   4    5    2  Nar  Car  Car    108.274
   5    2    1  Car  Car  Nar    107.225
   2    5    4  Car  Car  Nar    108.274
   5    4    3  Car  Nar  Car    107.927


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