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