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ASAM MEFENAMAT

MM2 Calculation completed successfully

------------MM2 Minimization------------

Pi System: 13 14 6 1 2 3 5 4 9 15 10 12 11 16 18

Warning: Some parameters are guessed (Quality = 1).

Iteration 1 Steric Energy 29.343 RMS Gradient 0.009 RMS Move 0.0000

Iteration 2 Steric Energy 29.343 RMS Gradient 0.007 RMS Move 0.0000

Iteration 2: Minimization terminated normally because the gradient norm is less than the
minimum gradient norm

Stretch: 2.3692

Bend: 13.6561

Stretch-Bend: 0.1431

Torsion: -6.3514

Non-1,4 VDW: 4.2996

1,4 VDW: 14.2023

Dipole/Dipole: 1.0238

Total Energy: 29.3427 kcal/mol

Calculation ended

------------Calculate MMFF94 Energy and Gradient------------


The total energy for this frame: 109.971 kcal/mol

The RMS Gradient is: 29.693

PERHITUNGAN PANJANG IKATAN

0 O(18)-Lp(37) 0.600 0.600

0 O(18)-Lp(36) 0.600 0.600

0 O(17)-Lp(35) 0.600 0.600

0 O(17)-Lp(34) 0.600 0.600

0 O(17)-H(33) 0.971 0.972

0 C(15)-H(32) 1.096 1.100

0 C(14)-H(31) 1.103 1.100

0 C(13)-H(30) 1.103 1.100

0 C(12)-H(29) 1.103 1.100

0 N(9)-H(28) 1.046 1.050

0 C(8)-H(27) 1.113 1.113

0 C(8)-H(26) 1.112 1.113

0 C(8)-H(25) 1.111 1.113

0 C(7)-H(24) 1.113 1.113

0 C(7)-H(23) 1.114 1.113

0 C(7)-H(22) 1.113 1.113

0 C(3)-H(21) 1.106 1.100

0 C(2)-H(20) 1.103 1.100

0 C(1)-H(19) 1.102 1.100

0 C(10)-C(15) 1.347 1.420

0 C(14)-C(15) 1.339 1.420

0 C(13)-C(14) 1.336 1.420

0 C(12)-C(13) 1.340 1.420

0 C(11)-C(12) 1.351 1.420

0 C(10)-C(11) 1.361 1.420

0 C(1)-C(6) 1.343 1.420

0 C(5)-C(6) 1.356 1.420


0 C(4)-C(5) 1.358 1.420

0 C(3)-C(4) 1.352 1.420

0 C(2)-C(3) 1.338 1.420

0 C(1)-C(2) 1.336 1.420

0 C(16)-O(18) 1.213 1.208

0 C(16)-O(17) 1.361 1.338

0 C(11)-C(16) 1.373 1.517

0 N(9)-C(10) 1.275 1.462

0 C(4)-N(9) 1.279 1.462

0 C(5)-C(8) 1.519 1.497

0 C(6)-C(7) 1.518 1.497

PERHITUNGAN SUDUT IKATAN

0 O(18)-Lp(37) 0.600 0.600

0 O(18)-Lp(36) 0.600 0.600

0 O(17)-Lp(35) 0.600 0.600

0 O(17)-Lp(34) 0.600 0.600

0 O(17)-H(33) 0.971 0.972

0 C(15)-H(32) 1.096 1.100

0 C(14)-H(31) 1.103 1.100

0 C(13)-H(30) 1.103 1.100

0 C(12)-H(29) 1.103 1.100

0 N(9)-H(28) 1.046 1.050

0 C(8)-H(27) 1.113 1.113

0 C(8)-H(26) 1.112 1.113

0 C(8)-H(25) 1.111 1.113

0 C(7)-H(24) 1.113 1.113

0 C(7)-H(23) 1.114 1.113

0 C(7)-H(22) 1.113 1.113

0 C(3)-H(21) 1.106 1.100

0 C(2)-H(20) 1.103 1.100


0 C(1)-H(19) 1.102 1.100

0 C(10)-C(15) 1.347 1.420

0 C(14)-C(15) 1.339 1.420

0 C(13)-C(14) 1.336 1.420

0 C(12)-C(13) 1.340 1.420

0 C(11)-C(12) 1.351 1.420

0 C(10)-C(11) 1.361 1.420

0 C(1)-C(6) 1.343 1.420

0 C(5)-C(6) 1.356 1.420

0 C(4)-C(5) 1.358 1.420

0 C(3)-C(4) 1.352 1.420

0 C(2)-C(3) 1.338 1.420

0 C(1)-C(2) 1.336 1.420

0 C(16)-O(18) 1.213 1.208

0 C(16)-O(17) 1.361 1.338

0 C(11)-C(16) 1.373 1.517

0 N(9)-C(10) 1.275 1.462

0 C(4)-N(9) 1.279 1.462

0 C(5)-C(8) 1.519 1.497

0 C(6)-C(7) 1.518 1.497

0 Lp(37)-O(18)-Lp(36) 131.000 131.000

0 Lp(37)-O(18)-C(16) 109.000 120.000

0 Lp(36)-O(18)-C(16) 120.000 120.000

0 Lp(35)-O(17)-Lp(34) 108.774

0 Lp(35)-O(17)-H(33) 110.122 101.000

0 Lp(35)-O(17)-C(16) 110.122

0 Lp(34)-O(17)-H(33) 109.724 101.000

0 Lp(34)-O(17)-C(16) 109.724

0 H(33)-O(17)-C(16) 108.366 106.100

0 O(18)-C(16)-O(17) 111.756 122.000

0 O(18)-C(16)-C(11) 126.694 123.000


0 O(17)-C(16)-C(11) 121.535 124.300

0 H(31)-C(14)-C(15) 120.857 120.000

0 H(31)-C(14)-C(13) 120.185 120.000

0 C(15)-C(14)-C(13) 118.890

0 H(30)-C(13)-C(14) 120.203 120.000

0 H(30)-C(13)-C(12) 120.847 120.000

0 C(14)-C(13)-C(12) 118.930

0 H(32)-C(15)-C(10) 121.306 120.000

0 H(32)-C(15)-C(14) 115.142 120.000

0 C(10)-C(15)-C(14) 123.321

0 H(29)-C(12)-C(13) 114.922 120.000

0 H(29)-C(12)-C(11) 122.458 120.000

0 C(13)-C(12)-C(11) 122.617

0 C(12)-C(11)-C(10) 118.592 120.000

0 C(12)-C(11)-C(16) 115.801 117.600

0 C(10)-C(11)-C(16) 125.590 117.600

0 C(15)-C(10)-C(11) 117.588 120.000

0 C(15)-C(10)-N(9) 121.035 120.000

0 C(11)-C(10)-N(9) 121.156 120.000

0 H(28)-N(9)-C(10) 108.000 118.000

0 H(28)-N(9)-C(4) 108.749 118.000

0 C(10)-N(9)-C(4) 143.205 124.000

0 H(27)-C(8)-H(26) 106.538 109.000

0 H(27)-C(8)-H(25) 111.873 109.000

0 H(27)-C(8)-C(5) 112.613 110.000

0 H(26)-C(8)-H(25) 101.058 109.000

0 H(26)-C(8)-C(5) 111.011 110.000

0 H(25)-C(8)-C(5) 112.966 110.000

0 H(24)-C(7)-H(23) 106.997 109.000

0 H(24)-C(7)-H(22) 105.257 109.000

0 H(24)-C(7)-C(6) 112.398 110.000


0 H(23)-C(7)-H(22) 109.403 109.000

0 H(23)-C(7)-C(6) 110.586 110.000

0 H(22)-C(7)-C(6) 111.944 110.000

0 C(6)-C(5)-C(4) 120.108 120.000

0 C(6)-C(5)-C(8) 116.049 121.400

0 C(4)-C(5)-C(8) 123.349 121.400

0 C(1)-C(6)-C(5) 120.291 120.000

0 C(1)-C(6)-C(7) 117.305 121.400

0 C(5)-C(6)-C(7) 122.403 121.400

0 C(5)-C(4)-C(3) 117.433 120.000

0 C(5)-C(4)-N(9) 131.591 120.000

0 C(3)-C(4)-N(9) 110.927 120.000

0 H(21)-C(3)-C(4) 122.155 120.000

0 H(21)-C(3)-C(2) 115.201 120.000

0 C(4)-C(3)-C(2) 122.598

0 H(20)-C(2)-C(3) 120.706 120.000

0 H(20)-C(2)-C(1) 120.249 120.000

0 C(3)-C(2)-C(1) 119.038

0 H(19)-C(1)-C(6) 120.869 120.000

0 H(19)-C(1)-C(2) 118.814 120.000

0 C(6)-C(1)-C(2) 120.283