Atom | Frag ATP | Complex | Var. ∆Q | Atom | Frag. DHEA | Complex | Var. ∆Q | Atom | Frag 5HTP | Complex | Var. ∆Q |
H102 | 0.351 | 0.407 | 0.056 | O47 | −0.421 | −0.516 | −0.095 | O25 | −0.560 | −0.335 | −0.225 |
O111 | −0.375 | −0.703 | −0.328 | H74 | 0.147 | 0.166 | +0.019 | O22 | −0.635 | −0.659 | −0.024 |
|
|
|
| H63 | 0.132 | 0.186 | +0.054 |
|
|
|
|
|
|
|
| H67 | 0.113 | 0.208 | +0.095 |
|
|
|
|
|
|
|
| H70 | 0.121 | 0.142 | +0.021 |
|
|
|
|