ATOM 20
1 C8y C 24.4880 -16.5552
2 C8y C 24.4763 -17.9545
3 C5x C 23.2754 -15.8439
4 C8y C 25.7065 -15.8615
5 C5x C 23.2637 -18.6483
6 C8y C 25.6832 -18.6600
7 C8y C 22.0568 -16.5435
8 O5x O 23.2811 -14.4448
9 C8y C 26.9133 -16.5785
10 O2a O 25.7182 -14.4622
11 C8y C 22.0511 -17.9428
12 O5x O 23.2637 -20.0476
13 C8x C 26.9017 -17.9720
14 O1a O 25.6657 -20.0593
15 C8x C 20.8559 -15.8381
16 O1a O 28.1319 -15.8848
17 C1a C 26.9426 -13.7742
18 C8x C 20.8559 -18.6424
19 C8x C 19.6374 -16.5435
20 C8x C 19.6374 -17.9428
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 6 14 1
14 7 15 1
15 9 16 1
16 10 17 1
17 11 18 1
18 15 19 2
19 18 20 2
20 7 11 2
21 9 13 1
22 19 20 1
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