ATOM 27
1 C1y C 23.3435 -25.9025
2 C1y C 24.7395 -25.9025
3 C8y C 25.7286 -26.8844
4 C8y C 25.7286 -28.2804
5 C1x C 24.7395 -29.2695
6 C1x C 23.3435 -29.2695
7 C1x C 22.3614 -28.2804
8 O2x O 22.3614 -26.8844
9 C8x C 26.9366 -28.9779
10 C8y C 28.1448 -28.2804
11 C8y C 28.1448 -26.8844
12 C8x C 26.9366 -26.1870
13 C8y C 23.3435 -24.5076
14 C8x C 24.5716 -23.7986
15 C8x C 24.5716 -22.4037
16 C8y C 23.3635 -21.7063
17 C8y C 22.1356 -22.4151
18 C8x C 22.1355 -23.8100
19 C1b C 24.7395 -24.5076
20 O1a O 25.9667 -23.7991
21 O1a O 29.3835 -26.1692
22 O2a O 29.3648 -28.9853
23 C1a C 30.5815 -28.2834
24 O2a O 23.3636 -20.3078
25 C1a C 22.1556 -19.6104
26 O2a O 20.8990 -21.7010
27 C1a C 19.7062 -22.3897
BOND 29
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 1 1
9 4 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 3 12 1
14 1 13 1
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 13 18 2
21 2 19 1
22 19 20 1
23 11 21 1
24 10 22 1
25 22 23 1
26 16 24 1
27 24 25 1
28 17 26 1
29 26 27 1
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