ATOM 19
1 C8y C 27.0404 -16.5840
2 C8y C 27.0347 -17.9874
3 O2x O 28.2574 -15.8853 #+
4 C8x C 25.8294 -15.8795
5 C8x C 28.2458 -18.6861
6 C8y C 25.8294 -18.6802
7 C8y C 29.4627 -16.5956
8 C8y C 24.6183 -16.5840
9 C8x C 29.4570 -17.9931
10 C8x C 24.6183 -17.9874
11 O1a O 25.8353 -20.0835
12 C8y C 30.6797 -15.8969
13 O1a O 23.4013 -15.8795
14 C8x C 31.8851 -16.6073
15 C8x C 30.6797 -14.4994
16 C8x C 33.1020 -15.9086
17 C8x C 31.8967 -13.8066
18 C8y C 33.1078 -14.5111
19 O1a O 34.3247 -13.8182
BOND 21
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 2
8 5 9 2
9 6 10 2
10 6 11 1
11 7 12 1
12 8 13 1
13 12 14 2
14 12 15 1
15 14 16 1
16 15 17 2
17 16 18 2
18 18 19 1
19 7 9 1
20 8 10 1
21 17 18 1
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