XLOGP3-AA of MOL opt.xyz: -0.90 -------------------------------------------------- + Contribution from Each Atom: 1 F: 0.555 2 F: 0.555 3 F: 0.555 4 O.2.(=C): 0.641 5 O.2.(=C): 0.641 6 O.3.h.pi: -0.007 7 N.3: 0.216 8 N.3: 0.216 9 N.3: 0.216 10 C.3.2h.X: -0.097 11 C.3.2h.X: -0.097 12 C.3.2h.X: -0.097 13 C.3.2h.X: -0.097 14 C.3.h.X: -0.144 15 C.3.h.X: -0.144 16 C.3.h.X: -0.144 17 C.3.3h.X: 0.016 18 C.3.h.X: -0.144 19 C.3.h.X.pi: -0.342 20 C.3.2h: 0.357 21 C.3.2h.X: -0.097 22 C.2.(=X).ring: -0.433 23 C.3.2h.X: -0.097 24 C.3.h.X.pi: -0.342 25 C.3.2h.X: -0.097 26 C.2.(=X).X: -0.760 + Contribution from 'Amino Acid' Correction: -2.280 + Contribution from 'Hydrogen Bond' Correction: 0.551