PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

asparagine   1352 Asparagine

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    #  Species Formula
  1342 SerineC3H7NO3
  1343 2-NitrofuranC4H3NO3
  1344 ThreonineC4H9NO3
  1345 m-NitrophenolC6H5NO3
  1346 o-NitrophenolC6H5NO3
  1347 p-NitrophenolC6H5NO3
  1348 TyrosineC9H11NO3
  1349 Dinitrogen trioxideN2O3
  1350 Dinitrogen trioxide (Geo)N2O3
  1351 Barbituric acidC4H4N2O3
  1352 Asparagine C4H8N2O3
  1353 GLY-GLYC4H8N2O3
  1354 GlutamineC5H10N2O3
  1355 ALA-ALAC6H12N2O3
  1356 8-Hydroxy-5-nitroquinolineC9H6N2O3
  1357 Pro-pro (Geo)C10H16N2O3
  1358 PRO-PROC10H16N2O3
  1359 Val-val (Geo)C10H20N2O3
  1360 VAL-VALC10H20N2O3
  1361 Ile-ile (Geo)C12H24N2O3
  1362 ILE-ILEC12H24N2O3


ΔHf: -137.8 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 PM7
Asparagine
 HR=PW91D H=-137.8
  H    -0.14903941 +1   0.11870598 +1   0.03540798 +1
  N     0.85775224 +1   0.25917586 +1   0.03023973 +1
  C     1.17768093 +1   1.65531938 +1  -0.28396962 +1
  C     2.69603210 +1   1.73458668 +1  -0.39314272 +1
  O     3.51117552 +1   1.53914600 +1   0.46696258 +1
  C     0.73975945 +1   2.69079643 +1   0.77931392 +1
  C    -0.76273322 +1   2.67814768 +1   0.92959720 +1
  O    -1.46168705 +1   1.72027127 +1   0.66275237 +1
  N    -1.34622076 +1   3.82840115 +1   1.42015246 +1
  H     0.70084911 +1   1.90290466 +1  -1.27544729 +1
  H    -2.33999562 +1   3.86594040 +1   1.54748420 +1
  H    -0.82990834 +1   4.63963531 +1   1.67381989 +1
  H     1.20775480 +1   2.45104540 +1   1.76054909 +1
  H     1.11711069 +1   3.69569816 +1   0.50578396 +1
  H     1.23494742 +1  -0.03257016 +1   0.92075139 +1
  O     3.05532358 +1   2.11290790 +1  -1.64198393 +1
  H     4.03385698 +1   2.12938188 +1  -1.78955727 +1