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@<TRIPOS>MOLECULE
AGLYSL01
20 18 2
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 C1 -1.6234 1.6965 8.8431 C.4 0 AGLY 0.331
2 C2 -1.5438 0.171 8.896 C.3 0 AGLY 0.659
3 1H -1.5827 1.764 6.8094 H 0 AGLY 0.36
4 3H -0.1271 1.863 7.4736 H 0 AGLY 0.36
5 H5 -2.6707 1.9987 8.9343 H 0 AGLY 0
6 H6 -1.0462 2.1092 9.6756 H 0 AGLY 0
7 H7 -2.3655 0.3289 10.6732 H 0 AGLY 0.5
8 N1 -1.0818 2.2182 7.5784 N.3 0 AGLY -0.99
9 O5 -2.0344 -0.3437 10.0478 O.2 0 AGLY -0.65
10 O6 -1.0893 -0.5326 8.0048 O 0 AGLY -0.57
11 C1 -2.70917 -2.31819 13.2149 C.4 1 AGLY 0.331
12 C2 -2.62957 -3.84369 13.2678 C.3 1 AGLY 0.659
13 1H -2.66847 -2.25069 11.1812 H 1 AGLY 0.36
14 3H -1.21287 -2.15169 11.8454 H 1 AGLY 0.36
15 H5 -3.75647 -2.01599 13.3061 H 1 AGLY 0
16 H6 -2.13197 -1.90549 14.0474 H 1 AGLY 0
17 H7 -3.45127 -3.68579 15.045 H 1 AGLY 0.5
18 N1 -2.16757 -1.79649 11.9502 N.3 1 AGLY -0.99
19 O5 -3.12017 -4.35839 14.4196 O.2 1 AGLY -0.65
20 O6 -2.17507 -4.54729 12.3766 O 1 AGLY -0.57
@<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
10 11 12 1
11 11 15 1
12 11 16 1
13 11 18 1
14 12 19 1
15 12 20 2
16 13 18 1
17 14 18 1
18 17 19 1
@<TRIPOS>SUBSTRUCTURE
1 AGLY 1
@<TRIPOS>SUBSTRUCTURE
2 AGLY 11
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