ATOM 21
1 C8y C 24.3123 -16.9893
2 C8y C 24.2772 -15.5985
3 C8y C 25.5278 -17.6554
4 C8y C 23.1084 -17.7256
5 C8x C 25.4635 -14.8680
6 C8y C 23.0384 -14.9205
7 C8y C 26.6500 -16.9308
8 O1a O 25.5687 -19.0637
9 C8x C 21.8055 -17.0651
10 O1a O 23.0794 -19.1339
11 C8y C 26.6849 -15.5400
12 C8y C 21.8404 -15.6568
13 C8y C 27.9354 -17.5912
14 O2x O 27.8769 -14.8153
15 O2a O 20.6074 -14.9848
16 C8x C 29.1217 -16.8782
17 O5x O 27.9648 -18.9995
18 C8y C 29.0926 -15.4874
19 C1a C 19.4034 -15.7211
20 C1a C 30.2963 -14.7568
21 C1a C 23.0029 -13.5015
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 2
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 2
11 6 12 2
12 7 13 1
13 11 14 1
14 12 15 1
15 13 16 1
16 13 17 2
17 14 18 1
18 15 19 1
19 18 20 1
20 7 11 1
21 9 12 1
22 16 18 2
23 6 21 1
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