TITLE = "3D CONVEX SHELL" VARIABLES = "X" "Y" "Z" "U" ZONE T="dimethyl_bromomalonate", N=12, E=22, DATAPACKING=POINT, ZONETYPE=FETRIANGLE -0.6406 -1.6032 -0.0372 4 -1.9718 0.9798 0.2121 8 -0.4729 2.3533 -0.654 1 2.6131 0.4236 -0.5619 3 1.4498 0.407 1.3168 2 0.3723 0.0334 -1.7037 1 -3.142 2.5705 -0.4602 1 -3.7944 1.6866 0.9403 3 -2.4137 2.7904 1.149 1 3.7888 1.58 0.7156 1 4.0276 -0.1788 0.8479 1 4.6801 0.705 -0.5526 0 4 11 12 1 4 11 1 4 6 1 5 11 1 2 5 2 5 9 2 8 9 1 2 8 1 2 8 2 7 8 2 6 7 1 2 6 3 6 7 3 4 6 3 4 10 4 10 12 5 10 11 10 11 12 3 5 10 3 5 9 3 7 9 7 8 9