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27M.mol2
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@<TRIPOS>MOLECULE
27M
28 29 1 0 0
SMALL
abcg2
@<TRIPOS>ATOM
1 OAD -13.6330 -15.5290 45.6480 oh 1 27M -0.544100
2 CAO -14.5790 -14.6110 45.9200 ca 1 27M 0.254600
3 CAJ -15.6270 -14.4840 45.0170 ca 1 27M -0.246500
4 CAM -16.6010 -13.5150 45.2180 ca 1 27M 0.212100
5 OAB -17.5860 -13.4190 44.2950 oh 1 27M -0.526100
6 CAF -16.5370 -12.6570 46.3250 ca 1 27M -0.232500
7 CAH -15.5190 -12.8150 47.2370 ca 1 27M 0.013500
8 CAQ -14.5300 -13.8050 47.0920 ca 1 27M -0.315600
9 CAL -13.4410 -13.9880 48.0490 c 1 27M 0.644300
10 OAA -12.3710 -14.5350 47.6560 o 1 27M -0.644100
11 CAR -13.5370 -13.5570 49.4420 ca 1 27M -0.315600
12 CAI -14.7640 -13.4190 50.1200 ca 1 27M 0.013500
13 CAG -14.8370 -12.9980 51.4270 ca 1 27M -0.232500
14 CAN -13.6530 -12.6840 52.1080 ca 1 27M 0.212100
15 OAC -13.7690 -12.2510 53.3850 oh 1 27M -0.526100
16 CAK -12.4190 -12.8430 51.4920 ca 1 27M -0.246500
17 CAP -12.3510 -13.3100 50.1830 ca 1 27M 0.254600
18 OAE -11.1270 -13.4950 49.6550 oh 1 27M -0.544100
19 H1 -12.9030 -15.3810 46.2980 ho 1 27M 0.516500
20 H2 -15.6610 -15.1200 44.1430 ha 1 27M 0.143500
21 H3 -18.1990 -12.7080 44.5340 ho 1 27M 0.472000
22 H4 -17.2770 -11.8760 46.4490 ha 1 27M 0.129500
23 H5 -15.4600 -12.1300 48.0690 ha 1 27M 0.122500
24 H6 -15.6780 -13.6880 49.6110 ha 1 27M 0.122500
25 H7 -15.7860 -12.9140 51.9380 ha 1 27M 0.129500
26 H8 -12.8950 -12.0820 53.7650 ho 1 27M 0.472000
27 H9 -11.5000 -12.6370 52.0280 ha 1 27M 0.143500
28 H10 -11.2610 -13.9620 48.7950 ho 1 27M 0.516500
@<TRIPOS>BOND
1 1 2 1
2 1 19 1
3 2 3 ar
4 2 8 ar
5 3 4 ar
6 3 20 1
7 4 5 1
8 4 6 ar
9 5 21 1
10 6 7 ar
11 6 22 1
12 7 8 ar
13 7 23 1
14 8 9 1
15 9 10 2
16 9 11 1
17 11 12 ar
18 11 17 ar
19 12 13 ar
20 12 24 1
21 13 14 ar
22 13 25 1
23 14 15 1
24 14 16 ar
25 15 26 1
26 16 17 ar
27 16 27 1
28 17 18 1
29 18 28 1
@<TRIPOS>SUBSTRUCTURE
1 27M 1 TEMP 0 **** **** 0 ROOT