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226.mol2
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@<TRIPOS>MOLECULE
226
23 24 1 0 0
SMALL
abcg2
@<TRIPOS>ATOM
1 OAB 4.2310 -1.8570 -0.9570 oh 1 226 -0.535100
2 CAM 3.4620 -2.8930 -0.5280 ca 1 226 0.057100
3 CAN 2.1310 -2.6150 -0.1520 ca 1 226 0.067000
4 CAH 1.6270 -1.2960 -0.2350 ca 1 226 -0.166000
5 CAI 0.3320 -1.0280 0.1270 ca 1 226 0.177100
6 OAC -0.1130 0.2380 0.0290 oh 1 226 -0.528100
7 CAF -0.5130 -2.0570 0.5910 ca 1 226 -0.302000
8 CAK -0.0380 -3.3380 0.6770 ca 1 226 0.197100
9 OAE -0.8190 -4.3480 1.1170 oh 1 226 -0.570100
10 CAO 1.2950 -3.6760 0.3100 ca 1 226 -0.160000
11 CAL 1.8240 -4.9970 0.3750 ca 1 226 0.198100
12 OAA 1.1120 -6.0630 0.7920 oh 1 226 -0.540100
13 CAG 3.1250 -5.2290 -0.0010 ca 1 226 -0.232000
14 CAJ 3.9420 -4.1810 -0.4480 ca 1 226 0.098100
15 OAD 5.2270 -4.3810 -0.8180 oh 1 226 -0.553100
16 HOAB 5.0680 -2.1860 -1.3030 ho 1 226 0.476000
17 HAH 2.2560 -0.4910 -0.5870 ha 1 226 0.152000
18 HOAC -1.0370 0.2980 0.2950 ho 1 226 0.465000
19 HAF -1.5360 -1.8380 0.8810 ha 1 226 0.115000
20 HOAE -1.6970 -4.0420 1.3750 ho 1 226 0.484000
21 HOAA 0.2190 -5.7880 1.0470 ho 1 226 0.493000
22 HAG 3.5210 -6.2370 0.0520 ha 1 226 0.131000
23 HOAD 5.4400 -5.3210 -0.8220 ho 1 226 0.477000
@<TRIPOS>BOND
1 1 2 1
2 1 16 1
3 2 3 ar
4 2 14 ar
5 3 4 ar
6 3 10 ar
7 4 5 ar
8 4 17 1
9 5 6 1
10 5 7 ar
11 6 18 1
12 7 8 ar
13 7 19 1
14 8 9 1
15 8 10 ar
16 9 20 1
17 10 11 ar
18 11 12 1
19 11 13 ar
20 12 21 1
21 13 14 ar
22 13 22 1
23 14 15 1
24 15 23 1
@<TRIPOS>SUBSTRUCTURE
1 226 1 TEMP 0 **** **** 0 ROOT