SMILES:c1cnc(cc1CO)c1ccccc1	

FORMULA: C12H11NO
MASS: 185.2218
EXACT MASS: 185.0840640
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8273     0.0000 
   N   3    1.4309     0.8256     0.0000 
   C   4    1.6520     1.4313     0.8271     0.0000 
   C   5    1.4272     1.6525     1.4340     0.8306     0.0000 
   C   6    0.8229     1.4305     1.6530     1.4327     0.8240     0.0000 
   C   7    1.4267     2.1840     2.4780     2.1868     1.4276     0.8250 
   O   8    2.1805     2.8594     2.9782     2.4793     1.6487     1.4289 
   C   9    2.4711     2.1791     1.4252     0.8191     1.4308     2.1817 
   C  10    2.9656     2.4658     1.6402     1.4186     2.1797     2.8513 
   C  11    4.1086     3.7629     2.9561     2.4566     2.9649     3.7685 
   C  12    3.7671     3.5815     2.8424     2.1663     2.4671     3.2911 
   C  13    3.7630     3.2814     2.4559     2.1640     2.8474     3.5821 
   C  14    2.9648     2.8481     2.1727     1.4168     1.6453     2.4693 

              C   7      O   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    0.8250     0.0000 
   C   9    2.8584     2.9773     0.0000 
   C  10    3.5908     3.7779     0.8201     0.0000 
   C  11    4.3568     4.2829     1.6375     1.4173     0.0000 
   C  12    3.7759     3.5965     1.4172     1.6374     0.8201     0.0000 
   C  13    4.2750     4.3577     1.4166     0.8157     0.8196     1.4189 
   C  14    2.9725     2.8601     0.8179     1.4206     1.4228     0.8217 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    1.6403     0.0000 



ATOMIC CHARGES
   C   1    0.0189360405
   C   2    0.0985822177
   N   3   -0.2438563221
   C   4    0.0810707218
   C   5    0.0174034147
   C   6    0.0136110642
   C   7    0.2086924440
   O   8   -0.2151707289
   C   9    0.0176414452
   C  10    0.0014956280
   C  11    0.0000012261
   C  12    0.0000486104
   C  13    0.0000486104
   C  14    0.0014956280


BOND ANGLES
   1    6    7  Car  Car   C3    119.941
   6    7    8  Car   C3   O3    120.004
   7    6    1   C3  Car  Car    119.941
   6    1    2  Car  Car  Car    120.191
   5    4    9  Car  Car  Car    120.283
   4    9   10  Car  Car  Car    119.860
   4    9   14  Car  Car  Car    119.866
   9    4    5  Car  Car  Car    120.283
   4    5    6  Car  Car  Car    119.966
  14    9   10  Car  Car  Car    120.274
   9   10   13  Car  Car  Car    120.001
  10    9   14  Car  Car  Car    120.274


TORSION ANGLES
   5    6    7    8      0.026
   1    6    7    8    179.974
   1    2    3    4      0.026
   4    5    6    7    179.974
   4    5    6    1      0.026
   7    6    1    2    179.974
   5    6    1    2      0.026
   3    4    9   10      0.026
   3    4    9   14    179.974
   5    4    9   10    179.974
   5    4    9   14      0.026
   6    1    2    3      0.026
   2    3    4    9    179.974
   2    3    4    5      0.026
   9    4    5    6    179.974
   3    4    5    6      0.026
   4    9   10   13    179.974
  14    9   10   13      0.026
  13   11   12   14      0.026
   4    9   14   12    179.974
  10    9   14   12      0.026
   9   10   13   11      0.026
  10   13   11   12      0.026
  11   12   14    9      0.026