ATOM 20
1 C1y C 27.5395 -16.4628
2 C1y C 28.7458 -17.1601
3 C1z C 26.3459 -17.1664
4 C1x C 27.5269 -15.0682
5 C1y C 29.9582 -16.4502
6 C1x C 28.7584 -18.5548
7 C2y C 26.3459 -18.5485
8 C1x C 25.1460 -16.4815
9 C1a C 26.3080 -15.5832
10 C1x C 28.7394 -14.3583
11 C1z C 29.9643 -15.0556
12 C2x C 27.5521 -19.2458
13 C1x C 25.1460 -19.2458
14 C1x C 23.9650 -17.1664
15 C1a C 29.9582 -13.6162
16 C5x C 23.9650 -18.5485
17 O5x O 22.7777 -19.2269
18 C1x C 32.3830 -16.4610
19 C1x C 32.3892 -15.0664
20 C1x C 31.1799 -14.3610
BOND 23
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 5 11 1
11 6 12 1
12 7 13 1
13 8 14 1
14 11 15 1
15 13 16 1
16 16 17 2
17 7 12 2
18 10 11 1
19 14 16 1
20 5 18 1
21 18 19 1
22 19 20 1
23 11 20 1
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