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20F.mol2
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@<TRIPOS>MOLECULE
20F
38 41 1 0 0
SMALL
abcg2
@<TRIPOS>ATOM
1 O01 4.0730 -3.4200 0.1760 o 1 20F -0.574000
2 C02 3.5580 -2.3030 0.1330 c 1 20F 0.511200
3 C03 4.3360 -1.0810 0.1240 cc 1 20F 0.017900
4 O04 5.6680 -1.2110 0.1590 oh 1 20F -0.517100
5 C05 3.7250 0.1300 0.0770 cd 1 20F -0.169000
6 C06 2.3060 0.2430 0.0310 cd 1 20F -0.061200
7 C07 1.6960 1.5830 -0.0880 ca 1 20F -0.059800
8 C08 2.0240 2.5900 0.8180 ca 1 20F -0.072000
9 C09 1.4680 3.8570 0.7130 ca 1 20F -0.153000
10 C10 0.5800 4.1050 -0.3150 ca 1 20F 0.176000
11 C11 0.2400 3.1370 -1.2410 ca 1 20F -0.153000
12 C12 0.8060 1.8780 -1.1210 ca 1 20F -0.072000
13 F13 0.0360 5.3270 -0.4220 f 1 20F -0.176000
14 C14 1.5640 -0.9020 0.0600 cc 1 20F 0.078400
15 C15 0.0920 -0.9640 0.0580 ca 1 20F -0.052800
16 C16 -0.6500 -0.2190 0.9720 ca 1 20F -0.091000
17 C17 -2.0300 -0.2900 0.9800 ca 1 20F -0.078000
18 C18 -2.6980 -1.1110 0.0720 ca 1 20F -0.128500
19 C19 -1.9590 -1.8620 -0.8400 ca 1 20F -0.078000
20 C20 -0.5780 -1.7920 -0.8420 ca 1 20F -0.091000
21 C21 -4.1500 -1.2040 0.0550 cc 1 20F 0.451000
22 N22 -4.9990 -0.6510 0.9260 na 1 20F -0.209700
23 N23 -6.2360 -0.9590 0.5820 nc 1 20F -0.197800
24 N24 -6.1490 -1.6770 -0.4670 nd 1 20F -0.037000
25 N25 -4.8810 -1.8520 -0.8260 nd 1 20F -0.383000
26 N26 2.2100 -2.1090 0.1000 ns 1 20F -0.345100
27 H1 5.8840 -2.1540 0.1920 ho 1 20F 0.492000
28 H2 4.3290 1.0290 0.0480 ha 1 20F 0.209000
29 H3 2.7110 2.3850 1.6290 ha 1 20F 0.123000
30 H4 1.7200 4.6340 1.4230 ha 1 20F 0.135500
31 H5 -0.4460 3.3620 -2.0470 ha 1 20F 0.135500
32 H6 0.5570 1.1190 -1.8510 ha 1 20F 0.123000
33 H7 -0.1470 0.4130 1.6920 ha 1 20F 0.130500
34 H8 -2.5730 0.3000 1.7070 ha 1 20F 0.131000
35 H9 -2.4630 -2.5000 -1.5530 ha 1 20F 0.131000
36 H10 -0.0220 -2.3700 -1.5700 ha 1 20F 0.130500
37 H11 -4.8260 -0.0890 1.7480 hn 1 20F 0.388000
38 H12 1.6450 -2.9470 0.1570 hn 1 20F 0.334500
@<TRIPOS>BOND
1 1 2 2
2 2 3 1
3 2 26 1
4 3 4 1
5 3 5 2
6 4 27 1
7 5 6 1
8 5 28 1
9 6 7 1
10 6 14 2
11 7 8 ar
12 7 12 ar
13 8 9 ar
14 8 29 1
15 9 10 ar
16 9 30 1
17 10 11 ar
18 10 13 1
19 11 12 ar
20 11 31 1
21 12 32 1
22 14 15 1
23 14 26 1
24 15 16 ar
25 15 20 ar
26 16 17 ar
27 16 33 1
28 17 18 ar
29 17 34 1
30 18 19 ar
31 18 21 1
32 19 20 ar
33 19 35 1
34 20 36 1
35 21 22 1
36 21 25 2
37 22 23 1
38 22 37 1
39 23 24 2
40 24 25 1
41 26 38 1
@<TRIPOS>SUBSTRUCTURE
1 20F 1 TEMP 0 **** **** 0 ROOT