ATOM 20
1 C8x C 28.9335 -22.8305
2 C8y C 30.1360 -22.1078
3 C8x C 30.1797 -20.7027
4 C8x C 28.8847 -20.0262
5 C8y C 27.6823 -20.7489
6 C8x C 27.6349 -22.1481
7 C1c C 26.4659 -20.0730
8 C1c C 26.4896 -18.6731
9 C8y C 25.2702 -17.9924
10 C8x C 25.2501 -16.5960
11 C8x C 24.0308 -15.9153
12 C8y C 22.8316 -16.6308
13 C8x C 22.8517 -18.0271
14 C8x C 24.0710 -18.7080
15 C1b C 27.6936 -17.9530
16 C1b C 25.2624 -20.7942
17 C1a C 21.6066 -15.9469
18 O1a O 31.3635 -22.7872
19 C1a C 28.9191 -18.6357
20 C1a C 24.0362 -20.1128
BOND 21
1 4 5 1
2 5 6 2
3 6 1 1
4 9 10 2
5 10 11 1
6 11 12 2
7 12 13 1
8 13 14 2
9 14 9 1
10 5 7 1
11 8 15 1
12 1 2 2
13 7 16 1
14 7 8 1
15 12 17 1
16 2 3 1
17 2 18 1
18 8 9 1
19 15 19 1
20 3 4 2
21 16 20 1
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