ATOM 17
1 C8y C 27.0677 -16.6481
2 C8y C 27.0735 -15.2494
3 C5x C 28.2743 -17.3535
4 C8y C 25.8612 -17.3476
5 C1x C 28.2857 -14.5499
6 C8x C 25.8612 -14.5440
7 C8y C 29.4865 -16.6540
8 O5x O 28.2743 -18.7524
9 C8x C 24.6430 -16.6481
10 O1a O 25.8612 -18.7464
11 C8y C 29.4982 -15.2610
12 C8x C 24.6430 -15.2494
13 C8y C 30.6931 -17.3651
14 C8x C 30.7164 -14.5673
15 C8x C 31.9113 -16.6773
16 O1a O 30.6814 -18.7640
17 C8x C 31.9229 -15.2784
BOND 19
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 6 12 2
12 7 13 1
13 11 14 1
14 13 15 2
15 13 16 1
16 14 17 2
17 7 11 2
18 9 12 1
19 15 17 1
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