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@<TRIPOS>MOLECULE
PRY
29 29 1 0 0
SMALL
rc
@<TRIPOS>ATOM
1 H1 5.4130 1.3950 -0.1180 HC 1 PRY 0.047647
2 C1 5.1670 0.3700 0.1350 CT 1 PRY -0.127159
3 H2 5.7020 -0.2780 -0.5520 HC 1 PRY 0.047647
4 H3 5.5530 0.1750 1.1320 HC 1 PRY 0.047647
5 C2 3.6760 0.1340 0.0670 CA 1 PRY 0.033204
6 C3 3.1370 -1.1220 0.3590 CA 1 PRY -0.149016
7 H4 3.7940 -1.9290 0.6360 HA 1 PRY 0.153372
8 C4 1.7830 -1.3560 0.3010 CA 1 PRY -0.336291
9 H5 1.3750 -2.3240 0.5260 HA 1 PRY 0.167425
10 C5 0.9070 -0.3310 -0.0550 CA 1 PRY 0.423974
11 O1 -0.4020 -0.6590 -0.0810 OS 1 PRY -0.391815
12 C6 1.4180 0.9200 -0.3470 CA 1 PRY -0.336291
13 H6 0.7760 1.7340 -0.6230 HA 1 PRY 0.167425
14 C7 2.7930 1.1360 -0.2830 CA 1 PRY -0.149016
15 H7 3.1680 2.1180 -0.5140 HA 1 PRY 0.153372
16 C8 -1.3580 0.3020 -0.4580 CT 1 PRY 0.358047
17 C9 -2.6930 -0.3810 -0.4700 CM 1 PRY -0.496680
18 C10 -3.8370 0.0490 0.0400 CM 1 PRY 0.317549
19 C11 -5.0960 -0.7730 -0.1000 CT 1 PRY -0.394216
20 C12 -4.0350 1.3480 0.7820 CT 1 PRY -0.394216
21 H8 -1.1210 0.6720 -1.4540 H1 1 PRY 0.001584
22 H9 -1.3270 1.1410 0.2250 H1 1 PRY 0.001584
23 H10 -2.6800 -1.3290 -0.9820 HA 1 PRY 0.192041
24 H11 -5.8660 -0.2140 -0.6260 HC 1 PRY 0.110363
25 H12 -5.5010 -1.0240 0.8780 HC 1 PRY 0.110363
26 H13 -4.9190 -1.6950 -0.6400 HC 1 PRY 0.110363
27 H14 -4.7240 1.9910 0.2380 HC 1 PRY 0.110363
28 H15 -3.1210 1.9030 0.9400 HC 1 PRY 0.110363
29 H16 -4.4820 1.1590 1.7540 HC 1 PRY 0.110363
@<TRIPOS>BOND
1 1 2 1
2 2 3 1
3 2 4 1
4 2 5 1
5 5 6 1
6 5 14 2
7 6 7 1
8 6 8 2
9 8 9 1
10 8 10 1
11 10 11 1
12 10 12 2
13 11 16 1
14 12 13 1
15 12 14 1
16 14 15 1
17 16 17 1
18 16 21 1
19 16 22 1
20 17 18 2
21 17 23 1
22 18 19 1
23 18 20 1
24 19 24 1
25 19 25 1
26 19 26 1
27 20 27 1
28 20 28 1
29 20 29 1
@<TRIPOS>SUBSTRUCTURE
1 PRY 1 TEMP 0 **** **** 0 ROOT
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