ATOM 20
1 C8y C 23.6867 -23.5469
2 C8y C 23.6283 -22.1489
3 C5x C 22.4109 -24.2516
4 C8x C 24.8225 -24.2576
5 C5x C 22.4225 -21.4498
6 C8y C 24.8456 -21.4674
7 C8y C 21.1990 -23.5410
8 O5x O 22.4049 -25.6497
9 C8y C 26.0398 -23.5702
10 C8y C 21.2050 -22.1372
11 O5x O 22.4283 -20.0460
12 C8x C 26.0514 -22.1722
13 O1a O 24.8632 -20.0634
14 C8x C 19.9932 -24.2459
15 C1b C 27.2398 -24.2809
16 C8y C 19.9932 -21.4440
17 C8x C 18.7758 -23.5410
18 O1a O 28.4630 -23.5876
19 C8x C 18.7758 -22.1372
20 O1a O 19.9932 -20.0401
BOND 22
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 2
9 5 10 1
10 5 11 2
11 6 12 2
12 6 13 1
13 7 14 1
14 9 15 1
15 10 16 1
16 14 17 2
17 15 18 1
18 16 19 2
19 16 20 1
20 7 10 2
21 9 12 1
22 17 19 1
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