=== 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
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