ATOM 21
1 C8y C 26.4604 -29.3995
2 C8y C 26.4663 -27.9943
3 C8y C 27.6734 -30.0993
4 C8y C 25.2533 -30.0934
5 C8y C 25.2533 -27.2886
6 O2x O 27.6849 -27.2945
7 C8x C 28.8919 -29.4053
8 O5x O 27.6674 -31.4929
9 C8x C 24.0462 -29.3995
10 O1a O 25.2592 -31.4871
11 C8y C 24.0462 -27.9943
12 O2a O 25.2533 -25.8950
13 C8y C 28.8978 -28.0057
14 O1a O 22.8334 -27.3002
15 C1a C 24.0462 -25.1952
16 C8y C 30.1166 -27.3062
17 C8x C 31.3237 -28.0117
18 C8x C 30.1166 -25.9066
19 C8x C 32.5424 -27.3119
20 C8x C 31.3353 -25.2069
21 C8x C 32.5482 -25.9124
BOND 23
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 2
11 5 12 1
12 6 13 1
13 11 14 1
14 12 15 1
15 13 16 1
16 16 17 2
17 16 18 1
18 17 19 1
19 18 20 2
20 19 21 2
21 7 13 2
22 9 11 1
23 20 21 1
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