ATOM 22
1 C8y C 27.1202 -18.6655
2 C8y C 27.0561 -17.2607
3 C8y C 28.2569 -19.3710
4 C8y C 25.8378 -19.3651
5 O2x O 28.2628 -16.5728
6 C8y C 25.8378 -16.5728
7 C8x C 29.4695 -18.6714
8 O5x O 28.2453 -20.7758
9 C8x C 24.6254 -18.6714
10 O1a O 25.8435 -20.7641
11 C8y C 29.4695 -17.2724
12 C8y C 24.6254 -17.2607
13 O1a O 25.8378 -15.1680
14 C8y C 30.6820 -16.5728
15 O1a O 23.4011 -16.5728
16 C8x C 30.6820 -15.1797
17 C8x C 31.8886 -17.2724
18 C8y C 31.8886 -14.4685
19 C8x C 33.1070 -16.5728
20 C8y C 33.1070 -15.1797
21 O1a O 31.8886 -13.0752
22 O1a O 34.3253 -14.4685
BOND 24
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 6 13 1
13 11 14 1
14 12 15 1
15 14 16 1
16 14 17 2
17 16 18 2
18 17 19 1
19 18 20 1
20 18 21 1
21 20 22 1
22 7 11 2
23 9 12 1
24 19 20 2
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