SMILES:c1(nc(ccc1)C)N1CCNCC1	

FORMULA: C10H15N3
MASS: 177.2462
EXACT MASS: 177.1265975
INTERATOMIC DISTANCES

              C   1      N   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.3779     0.0000 
   N   3    1.3750     2.3857     0.0000 
   N   4    4.1333     4.9700     2.7583     0.0000 
   C   5    2.4037     1.3958     3.6618     6.3339     0.0000 
   C   6    1.4068     2.4167     2.4025     4.9781     2.7908     0.0000 
   C   7    2.4060     3.6704     1.4088     2.3989     4.8096     2.7625 
   C   8    2.3892     2.7625     1.3800     2.3820     4.1583     3.6704 
   C   9    2.4204     2.7908     3.6728     6.3403     2.4167     1.3958 
   C  10    3.6342     4.1250     2.3784     1.3821     5.5208     4.7808 
   C  11    3.6453     4.7808     2.3953     1.4109     6.0266     4.1250 
   C  12    2.7542     2.3820     4.1292     6.8875     1.3655     2.3989 
   C  13    3.6662     2.4136     4.7992     7.3261     1.3741     4.1648 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.4167     0.0000 
   C   9    4.1583     4.8096     0.0000 
   C  10    2.7743     1.3625     6.0266     0.0000 
   C  11    1.3625     2.7743     5.5208     2.4167     0.0000 
   C  12    4.9781     4.9700     1.3947     6.3012     6.3076     0.0000 
   C  13    6.0519     5.0105     3.6617     6.3431     7.1940     2.3671 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   C   1    0.1313450197
   N   2   -0.2349889656
   N   3   -0.2903016826
   N   4   -0.2144410570
   C   5    0.0607669525
   C   6    0.0343048153
   C   7    0.1109696508
   C   8    0.1109696508
   C   9    0.0040758824
   C  10    0.1101597140
   C  11    0.1101597140
   C  12    0.0148406327
   C  13    0.0521396730


BOND ANGLES
  11    4   10   C3   N3   C3    119.825
   4   10    8   N3   C3   C3    120.430
   5   12    9  Car  Car  Car    122.218
  12    9    6  Car  Car  Car    118.557
   9   12    5  Car  Car  Car    122.218
  12    5    2  Car  Car  Nar    119.225
  10    4   11   C3   N3   C3    119.825
   4   11    7   N3   C3   C3    119.745


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


CHIRAL ATOMS
   N     3 is chiral: counterclockwise