ATOM 20
1 C8y C 26.5591 -17.1795
2 C8y C 26.5474 -18.5787
3 C5x C 25.3463 -16.4741
4 C8y C 27.7774 -16.4915
5 C5x C 25.3347 -19.2783
6 C8x C 27.7542 -19.2900
7 C8y C 24.1278 -17.1678
8 O5x O 25.3522 -15.0749
9 C8y C 28.9842 -17.1970
10 O1a O 27.7890 -15.0923
11 C8y C 24.1221 -18.5670
12 O5x O 25.3347 -20.6833
13 C8y C 28.9668 -18.5961
14 C8x C 22.9153 -16.4682
15 C1b C 30.1969 -16.5149
16 C8x C 22.9153 -19.2724
17 O1a O 30.1736 -19.3133
18 C8x C 21.7025 -17.1678
19 O1a O 31.4037 -17.2202
20 C8x C 21.7025 -18.5670
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 9 15 1
15 11 16 1
16 13 17 1
17 14 18 2
18 15 19 1
19 16 20 2
20 7 11 2
21 9 13 1
22 18 20 1
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