ATOM 22
1 C8y C 26.8997 -23.2614
2 C8y C 26.8997 -21.8621
3 C8y C 28.1057 -23.9710
4 C8y C 25.6872 -23.9645
5 O2x O 28.1186 -21.1656
6 C8x C 25.6872 -21.1591
7 C8y C 29.3247 -23.2743
8 O5x O 28.1693 -25.3703
9 C8x C 24.4747 -23.2614
10 O1a O 25.6743 -25.3703
11 C8y C 29.3311 -21.8750
12 C8y C 24.4747 -21.8621
13 O2a O 30.5307 -23.9710
14 C8y C 30.5370 -21.1591
15 O1a O 23.2559 -21.1591
16 C1a C 31.7366 -23.2614
17 C8x C 31.7432 -21.8621
18 C8x C 30.5370 -19.7661
19 C8x C 32.9555 -21.1656
20 C8x C 31.7495 -19.0696
21 C8y C 32.9555 -19.7724
22 O1a O 34.1616 -19.0567
BOND 24
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 2
8 4 9 1
9 4 10 1
10 5 11 1
11 6 12 1
12 7 13 1
13 11 14 1
14 12 15 1
15 13 16 1
16 14 17 2
17 14 18 1
18 17 19 1
19 18 20 2
20 19 21 2
21 21 22 1
22 7 11 2
23 9 12 2
24 20 21 1
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