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24B.mol2
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@<TRIPOS>MOLECULE
24B
16 16 1 0 0
SMALL
abcg2
@<TRIPOS>ATOM
1 F2 -2.2260 -0.0120 0.6890 f 1 24B -0.179000
2 F4 0.3610 -0.0370 -3.2030 f 1 24B -0.173000
3 O1 1.2320 0.0110 2.9980 oh 1 24B -0.661000
4 C1 0.1070 -0.0070 0.9100 ca 1 24B -0.142300
5 C2 -1.0190 -0.0150 0.1000 ca 1 24B 0.194000
6 C3 -0.9700 -0.0250 -1.2790 ca 1 24B -0.198000
7 C4 0.2820 -0.0270 -1.8650 ca 1 24B 0.198000
8 C5 1.4410 -0.0200 -1.1190 ca 1 24B -0.173000
9 C6 1.3390 -0.0100 0.2670 ca 1 24B -0.035000
10 HO1 1.1170 0.0050 3.9520 ho 1 24B 0.451000
11 H3 -1.8750 -0.0300 -1.8720 ha 1 24B 0.150000
12 H5 2.4090 -0.0220 -1.6020 ha 1 24B 0.137000
13 H6 2.2470 -0.0050 0.8540 ha 1 24B 0.140000
14 H71 -0.6200 -0.8770 2.7170 h1 1 24B 0.034700
15 H72 -0.6270 0.8820 2.7050 h1 1 24B 0.034700
16 C7 -0.0400 0.0020 2.4080 c3 1 24B 0.218900
@<TRIPOS>BOND
1 1 5 1
2 2 7 1
3 3 10 1
4 3 16 1
5 4 5 ar
6 4 9 ar
7 4 16 1
8 5 6 ar
9 6 7 ar
10 6 11 1
11 7 8 ar
12 8 9 ar
13 8 12 1
14 9 13 1
15 14 16 1
16 15 16 1
@<TRIPOS>SUBSTRUCTURE
1 24B 1 TEMP 0 **** **** 0 ROOT