XLOGP3-AA of MOL opt.xyz: 4.41 -------------------------------------------------- + Contribution from Each Atom: 1 N.3: 0.216 2 C.3.2h.pi: 0.295 3 C.3.2h.pi: 0.295 4 C.2.(=C).ring: -0.202 5 C.ar: 0.172 6 C.ar: 0.172 7 C.ar: 0.172 8 C.ar: 0.172 9 C.2.h.(=C): 0.322 10 C.3.2h.pi: 0.295 11 C.ar.h: 0.320 12 C.ar.h: 0.320 13 C.ar.h: 0.320 14 C.ar.h: 0.320 15 C.3.2h.X: -0.097 16 C.ar.h: 0.320 17 C.ar.h: 0.320 18 C.ar.h: 0.320 19 C.ar.h: 0.320 20 C.3.3h.X: 0.016 21 C.3.3h.X: 0.016