1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21
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@<TRIPOS>MOLECULE
Cpptraj Generated mol2 file.
6 4 1 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 CD1 7.3257 5.7587 -0.1281 CA 1 TYR -8202.483030
2 HD1 6.6074 5.9202 0.6756 HA 1 TYR -1424.037834
3 CE1 8.5704 6.3987 -0.0936 CA 1 TYR -2.048249
4 CE2 9.1710 5.3439 -2.1928 CA 1 TYR 2.048213
5 CD2 7.9264 4.7038 -2.2273 CA 1 TYR 8202.603881
6 HD2 7.6757 4.0440 -3.0579 HA 1 TYR 1423.968467
@<TRIPOS>BOND
1 4 5 1
2 1 3 1
3 5 6 1
4 1 2 1
@<TRIPOS>SUBSTRUCTURE
1 TYR 1 **** 0 **** ****
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