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20B.mol2
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@<TRIPOS>MOLECULE
20B
28 30 1 0 0
SMALL
abcg2
@<TRIPOS>ATOM
1 CAM -2.2510 0.8650 -0.0710 ca 1 20B -0.109000
2 CAL -3.6360 0.9990 -0.1030 ca 1 20B 0.134100
3 OAR -4.1360 2.2480 -0.1140 oh 1 20B -0.531100
4 CAP -4.4430 -0.1350 -0.1240 ca 1 20B -0.187000
5 CAO -3.8560 -1.3910 -0.1110 ca 1 20B -0.075000
6 CAN -2.4800 -1.5360 -0.0770 ca 1 20B -0.116000
7 CAK -1.6660 -0.4000 -0.0570 ca 1 20B -0.033800
8 CAI -0.2010 -0.5350 -0.0210 cc 1 20B 0.209900
9 OAJ 0.4260 0.6460 -0.0520 os 1 20B -0.218200
10 CAF 1.7750 0.7220 -0.0310 ca 1 20B 0.154100
11 CAA 2.3320 1.9970 -0.0730 ca 1 20B -0.141000
12 CAB 3.7060 2.1200 -0.0540 ca 1 20B -0.057000
13 CAC 4.5240 0.9880 0.0050 ca 1 20B -0.147000
14 CAD 3.9580 -0.2670 0.0450 ca 1 20B -0.025000
15 CAE 2.5680 -0.4200 0.0280 ca 1 20B -0.227600
16 CAG 1.9270 -1.7390 0.0700 c 1 20B 0.596900
17 OAQ 2.5670 -2.7810 0.1300 o 1 20B -0.543100
18 CAH 0.4830 -1.7000 0.0380 cd 1 20B -0.387200
19 H1 -1.6480 1.7620 -0.0550 ha 1 20B 0.144000
20 H2 -5.0990 2.2280 -0.1340 ho 1 20B 0.468000
21 H3 -5.5220 -0.0410 -0.1490 ha 1 20B 0.117000
22 H4 -4.4860 -2.2700 -0.1280 ha 1 20B 0.119000
23 H5 -2.0600 -2.5300 -0.0710 ha 1 20B 0.125000
24 H6 1.6910 2.8670 -0.1230 ha 1 20B 0.134000
25 H7 4.1500 3.1060 -0.0860 ha 1 20B 0.120000
26 H8 5.6000 1.1000 0.0180 ha 1 20B 0.122000
27 H9 4.5820 -1.1500 0.0910 ha 1 20B 0.138000
28 H10 -0.0490 -2.6400 0.0680 ha 1 20B 0.213000
@<TRIPOS>BOND
1 1 2 ar
2 1 7 ar
3 1 19 1
4 2 3 1
5 2 4 ar
6 3 20 1
7 4 5 ar
8 4 21 1
9 5 6 ar
10 5 22 1
11 6 7 ar
12 6 23 1
13 7 8 1
14 8 9 1
15 8 18 2
16 9 10 1
17 10 11 ar
18 10 15 ar
19 11 12 ar
20 11 24 1
21 12 13 ar
22 12 25 1
23 13 14 ar
24 13 26 1
25 14 15 ar
26 14 27 1
27 15 16 1
28 16 17 2
29 16 18 1
30 18 28 1
@<TRIPOS>SUBSTRUCTURE
1 20B 1 TEMP 0 **** **** 0 ROOT