ATOM 22
1 C2y C 23.7408 -18.8299
2 C5x C 22.5272 -18.1297
3 C2y C 23.7408 -20.2303
4 C1b C 24.9487 -18.1356
5 C2y C 21.3077 -18.8299
6 O5x O 22.5272 -16.7295
7 C5x C 22.5272 -20.9364
8 O1a O 24.9546 -20.9364
9 C1b C 26.1624 -18.8358
10 C2x C 21.3077 -20.2303
11 O2a O 20.0941 -18.1297
12 O5x O 22.5272 -22.3426
13 C1b C 27.3703 -18.1473
14 C1a C 18.8746 -18.8299
15 C1b C 28.5781 -18.8416
16 C1b C 29.7917 -18.1530
17 C1b C 31.0053 -18.8475
18 C1b C 32.2190 -18.1590
19 C1b C 33.4269 -18.8592
20 C1b C 34.6405 -18.1647
21 C1b C 35.8542 -18.8649
22 C1a C 37.0678 -18.1706
BOND 22
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 2
10 5 11 1
11 7 12 2
12 9 13 1
13 11 14 1
14 13 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 7 10 1
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