18 WFHMO XYZ 2011.11.29 C -1.78950 -1.16060 0.00000 C -2.61090 -0.04280 0.00000 C -1.78960 1.07500 0.00000 C 0.63000 1.54470 0.00000 C 1.99420 1.22300 0.00000 C 2.59990 -0.04210 0.00000 C 1.99450 -1.30750 0.00000 C 0.63050 -1.62980 0.00000 C -0.45500 -0.74260 0.00000 C -0.45500 0.65710 0.00000 H -2.11850 -2.12930 0.00000 H -3.63400 -0.04270 0.00000 H -2.11850 2.04370 0.00000 H 0.40530 2.54350 0.00000 H 2.63490 2.02220 0.00000 H 3.62510 -0.04210 0.00000 H 2.63530 -2.10640 0.00000 H 0.40650 -2.62880 0.00000 10 5 5 5 AZULEN 0 0 1 6 -1.78950 -1.16060 0.00000 1 2 6 -2.61090 -0.04280 0.00000 1 3 6 -1.78960 1.07500 0.00000 1 4 6 0.63000 1.54470 0.00000 1 5 6 1.99420 1.22300 0.00000 1 6 6 2.59990 -0.04210 0.00000 1 7 6 1.99450 -1.30750 0.00000 1 8 6 0.63050 -1.62980 0.00000 1 9 6 -0.45500 -0.74260 0.00000 1 10 6 -0.45500 0.65710 0.00000 1 WFHMO 1 2.31028 2 0.3233 0.2799 0.3233 0.2886 0.1998 0.1730 0.1998 0.2886 0.4670 0.4670 WFHMO 2 1.65157 2 -0.2678 -0.3243 -0.2678 0.1909 0.4333 0.5247 0.4333 0.1909 -0.1180 -0.1180 WFHMO 3 1.35567 2 0.2207 0.0000 -0.2207 -0.4841 -0.3571 0.0000 0.3571 0.4841 0.2992 -0.2992 WFHMO 4 0.88698 2 -0.2585 -0.5829 -0.2585 0.2186 -0.1598 -0.3603 -0.1598 0.2186 0.3536 0.3536 WFHMO 5 0.47726 2 -0.5428 0.0000 0.5428 -0.1601 -0.3355 0.0000 0.3355 0.1601 -0.2591 0.2591 WFHMO 6 -0.40039 0 -0.0632 0.3157 -0.0632 0.4699 0.1023 -0.5109 0.1023 0.4699 -0.2904 -0.2904 WFHMO 7 -0.73764 0 0.2992 0.0000 -0.2992 0.3571 -0.4841 0.0000 0.4841 -0.3571 -0.2207 0.2207 WFHMO 8 -1.57922 0 -0.4364 0.5527 -0.4364 0.0844 -0.2697 0.3416 -0.2697 0.0844 0.1365 0.1365 WFHMO 9 -1.86921 0 -0.2500 0.2675 -0.2500 -0.3233 0.4045 -0.4328 0.4045 -0.3233 0.1998 0.1998 WFHMO 10 -2.09529 0 0.2591 0.0000 -0.2591 -0.3355 0.1601 0.0000 -0.1601 0.3355 -0.5428 0.5428