ATOM 22
1 C8y C 28.0404 -18.8899
2 C8y C 28.0988 -20.2529
3 C8y C 25.6930 -18.8841
4 C8y C 29.2228 -18.2259
5 C8y C 29.1995 -20.9402
6 O2x O 26.8638 -20.9344
7 C8y C 25.6873 -20.2471
8 C8x C 24.5223 -18.2085
9 C8y C 30.3993 -18.9075
10 O2a O 29.1645 -16.8688
11 C8y C 30.3877 -20.2762
12 O2a O 29.1879 -22.2974
13 C8y C 24.5223 -20.9228
14 C8x C 23.3398 -18.8841
15 O1a O 31.5760 -18.2434
16 C1a C 28.0636 -16.1756
17 O2a O 31.5527 -20.9635
18 C1a C 30.3644 -22.9905
19 C8x C 23.3398 -20.2471
20 O2a O 24.5280 -22.2799
21 C1a C 32.7351 -20.2878
22 C1a C 23.3515 -22.9672
BOND 24
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 2
11 5 12 1
12 7 13 1
13 8 14 2
14 9 15 1
15 10 16 1
16 11 17 1
17 12 18 1
18 13 19 2
19 13 20 1
20 17 21 1
21 20 22 1
22 6 7 1
23 9 11 1
24 14 19 1
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