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@<TRIPOS>MOLECULE
AGLYSL011
10 9 1 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 C1 -1.6234 1.6965 8.8431 C.3 1 AGLY 0.3310
2 C2 -1.5438 0.1710 8.8960 C.2 1 AGLY 0.6590
3 H1 -1.5827 1.7640 6.8094 H 1 AGLY 0.3600
4 H3 -0.1271 1.8630 7.4736 H 1 AGLY 0.3600
5 H5 -2.6707 1.9987 8.9343 H 1 AGLY 0.0000
6 H6 -1.0462 2.1092 9.6756 H 1 AGLY 0.0000
7 H7 -2.3655 0.3289 10.6732 H 1 AGLY 0.5000
8 N1 -1.0818 2.2182 7.5784 N.3 1 AGLY -0.9900
9 O5 -2.0344 -0.3437 10.0478 O.3 1 AGLY -0.6500
10 O6 -1.0893 -0.5326 8.0048 O.2 1 AGLY -0.5700
@<TRIPOS>BOND
1 1 2 1
2 1 5 1
3 1 6 1
4 1 8 1
5 2 9 1
6 2 10 2
7 3 8 1
8 4 8 1
9 7 9 1
@<TRIPOS>SUBSTRUCTURE
1 AGLY 1
@<TRIPOS>COMMENT
COMMENT AMMONIUM GLYCINIUM SULFATE (NEUTRON STUDY) PEPSEQ A=1 GLY
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