ATOM 20
1 C8y C 27.7480 -17.1447
2 C8y C 27.7363 -18.5434
3 C5x C 26.5357 -16.4453
4 C8y C 28.9660 -16.4629
5 C5x C 26.5243 -19.2484
6 C8x C 28.9427 -19.2601
7 C8y C 25.3179 -17.1389
8 O5x O 26.5417 -15.0467
9 C8x C 30.1724 -17.1680
10 O1a O 28.9777 -15.0642
11 C8y C 25.3120 -18.5376
12 O5x O 26.5243 -20.6471
13 C8y C 30.1607 -18.5667
14 C8y C 24.1116 -16.4396
15 C8x C 24.1116 -19.2427
16 C1a C 31.3611 -19.2834
17 C8x C 22.8935 -17.1389
18 O1a O 24.1116 -15.0409
19 C8y C 22.8935 -18.5376
20 O1a O 21.6755 -19.2427
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 4 10 1
10 5 11 1
11 5 12 2
12 6 13 2
13 7 14 1
14 11 15 1
15 13 16 1
16 14 17 2
17 14 18 1
18 15 19 2
19 19 20 1
20 7 11 2
21 9 13 1
22 17 19 1
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