XLOGP3-AA of MOL opt.xyz: 2.35 -------------------------------------------------- + Contribution from Each Atom: 1 C.3.2h.X: -0.097 2 C.3.2h.X: -0.097 7 N.3.h: -0.235 10 C.3.2h.X: -0.097 13 C.3.2h.X: -0.097 16 N.3: 0.216 17 C.3.2h.X.pi: -0.264 20 C.ar: 0.172 21 C.ar.h: 0.320 22 C.ar.h: 0.320 23 C.ar.h: 0.320 27 C.ar.ar: 0.305 28 C.ar.ar: 0.305 29 C.ar.h: 0.320 31 C.ar.h: 0.320 33 C.ar.h: 0.320 35 C.ar.h: 0.320