TITLE = "3D CONVEX SHELL" VARIABLES = "X" "Y" "Z" "U" ZONE T="N_N-dimethylacetamide", N=15, E=44, DATAPACKING=POINT, ZONETYPE=FETRIANGLE 0 0 0 9 0.24 0.96 1.1 10 0 0.58 2.38 7 -0.5 -0.82 2.64 9 0.76 2.3 0.78 12 0.16 1.34 3.3 3 0.6164 -0.8635 0.1393 3 -1.0292 -0.2927 0.0002 3 0.2393 0.4619 -0.9351 6 -0.6555 -0.9539 3.6902 5 0.2242 -1.5274 2.2936 2 -1.4232 -0.9712 2.1206 2 0.4218 2.999 1.5162 3 0.4063 2.5988 -0.1847 4 1.8297 2.2759 0.7759 4 5 13 15 5 13 15 5 14 15 5 14 15 5 9 14 5 13 14 5 13 14 5 6 13 2 5 6 2 3 6 2 5 15 2 5 15 2 5 9 2 5 14 2 5 13 1 2 9 1 2 9 2 9 14 1 7 9 1 7 9 1 7 8 1 8 9 1 8 9 1 2 7 1 2 8 2 3 13 3 6 13 2 3 8 3 8 12 3 4 12 4 10 12 4 10 12 4 10 11 4 10 11 4 11 12 3 4 11 3 4 10 3 4 10 3 6 10 3 6 10 2 3 7 3 7 11 7 8 12 7 11 12