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@<TRIPOS>MOLECULE
Cpptraj Generated mol2 file.
34 33 2 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 N 3.3258 1.5479 -0.0000 N 1 TYR -0.415700
2 H 3.9094 0.7236 -0.0000 H 1 TYR 0.271900
3 CA 3.9700 2.8458 -0.0000 CX 1 TYR -0.001400
4 HA 3.6717 3.4001 -0.8898 H1 1 TYR 0.087600
5 CB 3.5770 3.6538 1.2321 CT 1 TYR -0.015200
6 HB2 2.4970 3.8011 1.2414 HC 1 TYR 0.029500
7 HB3 3.8775 3.1158 2.1312 HC 1 TYR 0.029500
8 C 5.4855 2.7052 -0.0000 C 1 TYR 0.597300
9 O 6.0088 1.5932 -0.0000 O 1 TYR -0.567900
10 C2 4.2639 4.9836 1.1901 CA 2 PRY 0.033204
11 C3 4.0801 5.9281 2.2037 CA 2 PRY -0.149016
12 H4 3.4319 5.6969 3.0320 HA 2 PRY 0.153372
13 C4 4.7078 7.1513 2.1709 CA 2 PRY -0.336291
14 H5 4.5618 7.8733 2.9529 HA 2 PRY 0.167425
15 C5 5.5528 7.4798 1.1112 CA 2 PRY 0.423974
16 O1 6.1232 8.7016 1.1711 OS 2 PRY -0.391815
17 C6 5.7502 6.5602 0.0979 CA 2 PRY -0.336291
18 H6 6.3940 6.7755 -0.7328 HA 2 PRY 0.167425
19 C7 5.1042 5.3267 0.1498 CA 2 PRY -0.149016
20 H7 5.2733 4.6265 -0.6499 HA 2 PRY 0.153372
21 C8 6.9675 9.1326 0.1315 CT 2 PRY 0.358047
22 C9 7.3706 10.5431 0.4430 CM 2 PRY -0.496680
23 C10 8.5791 11.0812 0.3832 CM 2 PRY 0.317549
24 C11 8.7852 12.5416 0.7074 CT 2 PRY -0.394216
25 C12 9.8453 10.3566 -0.0027 CT 2 PRY -0.394216
26 H8 6.4217 9.1015 -0.8099 H1 2 PRY 0.001584
27 H9 7.8169 8.4673 0.0461 H1 2 PRY 0.001584
28 H10 6.5411 11.1677 0.7309 HA 2 PRY 0.192041
29 H11 9.2141 13.0690 -0.1411 HC 2 PRY 0.110363
30 H12 9.4819 12.6562 1.5350 HC 2 PRY 0.110363
31 H13 7.8571 13.0311 0.9758 HC 2 PRY 0.110363
32 H14 10.2613 10.7841 -0.9128 HC 2 PRY 0.110363
33 H15 9.7076 9.2974 -0.1689 HC 2 PRY 0.110363
34 H16 10.5962 10.4769 0.7732 HC 2 PRY 0.110363
@<TRIPOS>BOND
1 1 3 1
2 3 5 1
3 3 8 1
4 8 9 1
5 10 11 1
6 10 19 1
7 11 13 1
8 13 15 1
9 15 16 1
10 15 17 1
11 16 21 1
12 17 19 1
13 21 22 1
14 22 23 1
15 23 24 1
16 23 25 1
17 1 2 1
18 3 4 1
19 5 6 1
20 5 7 1
21 11 12 1
22 13 14 1
23 17 18 1
24 19 20 1
25 21 26 1
26 21 27 1
27 22 28 1
28 24 29 1
29 24 30 1
30 24 31 1
31 25 32 1
32 25 33 1
33 25 34 1
@<TRIPOS>SUBSTRUCTURE
1 TYR 1 **** 0 **** ****
2 PRY 10 **** 0 **** ****
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