SMILES:n1(c(cc(n1)C)N)CCN(C)C	

FORMULA: C8H16N4
MASS: 168.2394
EXACT MASS: 168.1374965
INTERATOMIC DISTANCES

              N   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.5896     0.0000 
   N   3    1.5035     2.4890     0.0000 
   C   4    2.5125     1.5375     2.4800     0.0000 
   C   5    2.4625     2.5125     1.4795     1.5896     0.0000 
   C   6    1.5212     2.7995     2.6780     3.9974     3.9186     0.0000 
   N   7    2.7736     1.4934     3.9435     2.6872     3.9605     3.4555 
   C   8    2.6296     4.1483     3.1317     5.1032     4.5896     1.5168 
   N   9    4.0015     5.4093     4.6340     6.5115     6.0874     2.6126 
   C  10    3.9144     3.9938     2.6449     2.7966     1.5173     5.2917 
   C  11    5.2358     6.7385     5.5610     7.6966     7.0403     3.9920 
   C  12    4.5250     5.6477     5.5208     6.9749     6.8780     3.0038 

              N   7      C   8      N   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    4.9601     0.0000 
   N   9    5.9666     1.5026     0.0000 
   C  10    5.3940     5.7170     7.2129     0.0000 
   C  11    7.4173     2.6062     1.5086     7.9698     0.0000 
   C  12    5.8207     2.6078     1.5162     8.1645     2.6277     0.0000 




ATOMIC CHARGES
   N   1   -0.2337166231
   C   2    0.1680930443
   N   3   -0.1724357780
   C   4    0.0536998371
   C   5    0.0818739904
   C   6    0.1462075566
   N   7   -0.1074733939
   C   8    0.0988865885
   N   9   -0.2686028250
   C  10    0.0540297916
   C  11    0.0897189057
   C  12    0.0897189057


BOND ANGLES
   5    4    2  Car  Car  Car    106.915
   4    2    1  Car  Car  Nar    106.915
   2    4    5  Car  Car  Car    106.915
   4    5    3  Car  Car  Nar    107.760


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


CHIRAL ATOMS
   N     1 is chiral: counterclockwise
   N     9 is chiral: counterclockwise