TITLE = "3D CONVEX SHELL" VARIABLES = "X" "Y" "Z" "U" ZONE T="dimethyl_bromomalonate", N=14, E=24, DATAPACKING=POINT, ZONETYPE=FETRIANGLE -0.782 1.223 -0.3596 3 1.4571 0.3173 0.1119 3 -0.6406 -1.6032 -0.0372 0 -1.9718 0.9798 0.2121 3 -0.4729 2.3533 -0.654 2 2.6131 0.4236 -0.5619 2 1.4498 0.407 1.3168 3 0.3723 0.0334 -1.7037 2 -3.142 2.5705 -0.4602 0 -3.7944 1.6866 0.9403 0 -2.4137 2.7904 1.149 1 3.7888 1.58 0.7156 1 4.0276 -0.1788 0.8479 0 4.6801 0.705 -0.5526 0 6 13 14 2 6 13 2 7 13 2 3 7 2 6 8 2 3 8 7 12 13 12 13 14 5 7 12 5 6 12 6 12 14 5 6 8 5 7 11 4 7 11 4 10 11 3 4 7 1 5 8 1 5 9 1 4 9 1 4 8 3 4 8 4 9 10 5 9 11 9 10 11