TITLE = "3D CONVEX SHELL"
VARIABLES = "X" "Y" "Z" "U"
ZONE T="N_N-dimethylacetamide", N=12, E=22, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
0.24 0.96 1.1 3
0 0.58 2.38 6
0.16 1.34 3.3 2
0.6164 -0.8635 0.1393 0
-1.0292 -0.2927 0.0002 1
0.2393 0.4619 -0.9351 0
-0.6555 -0.9539 3.6902 0
0.2242 -1.5274 2.2936 1
-1.4232 -0.9712 2.1206 1
0.4218 2.999 1.5162 1
0.4063 2.5988 -0.1847 0
1.8297 2.2759 0.7759 1

4 6 12
6 11 12
4 8 12
2 8 12
2 3 12
2 3 8
3 7 8
3 10 12
10 11 12
4 5 6
4 5 9
4 8 9
7 8 9
5 6 11
5 10 11
1 5 10
1 2 10
1 2 5
2 5 9
2 3 10
2 3 9
3 7 9