=== Assigning regioisomers in "Click Chemistry" === [[Image:]] Isomer 1 ------------MM2 Minimization------------ Pi System: 16 15 14 13 17 18 Pi System: 9 1 2 3 4 6 5 8 7 10 11 Warning: Some parameters are guessed (Quality = 1). Iteration 7: Minimization terminated normally because the gradient norm is less than the minimum gradient norm Stretch: 16.5630 Bend: 18.9804 Stretch-Bend: -45.6421 Torsion: -19.7479 Non-1,4 VDW: -4.1351 1,4 VDW: 9.1466 Dipole/Dipole: -0.3001 Total Energy: -25.1352 kcal/mol Calculation completed ------------------------------------