XLOGP3-AA of MOL opt.xyz: 5.51 -------------------------------------------------- + Contribution from Each Atom: 1 O.3.h: -0.474 2 O.3.pi: 0.303 3 O.3.h: -0.474 4 O.2.(=C): 0.641 5 O.3.h.pi: -0.007 6 O.2.(=C): 0.641 7 C.3: -0.111 8 C.3.h: 0.144 9 C.3: -0.111 10 C.3: -0.111 11 C.3.h: 0.144 12 C.3.h.pi: -0.025 13 C.3.2h.lipo: 0.542 14 C.3.h.X: -0.144 15 C.3.2h.lipo: 0.542 16 C.3.2h: 0.357 17 C.3.2h: 0.357 18 C.3.2h: 0.357 19 C.3.h: 0.144 20 C.3.3h.lipo: 0.650 21 C.2.(=C).ring: -0.202 22 C.3.h.X.pi: -0.342 23 C.3.3h.lipo: 0.650 24 C.3.3h.lipo: 0.650 25 C.3.2h: 0.357 26 C.3.h.X: -0.144 27 C.3.3h.lipo: 0.650 28 C.2.(=C).X: -0.235 29 C.3.2h.pi: 0.295 30 C.2.(=X).X: -0.760 31 C.2.(=X).X: -0.760 32 C.3.2h.pi: 0.295 33 C.3.3h.X.pi: -0.085 34 C.2.h.(=C): 0.322 35 C.2.(=C): 0.433 36 C.3.3h.pi: 0.512 37 C.3.3h.pi: 0.512