ATOM 20
1 C8y C 27.0419 -17.9924
2 C8y C 27.0419 -16.5899
3 C8x C 28.2583 -18.6851
4 C8y C 25.8314 -18.6851
5 O2x O 28.2583 -15.8856 #+
6 C8x C 25.8314 -15.8856
7 C8x C 29.4630 -17.9924
8 C8x C 24.6150 -17.9924
9 O1a O 25.8314 -20.0877
10 C8y C 29.4630 -16.5899
11 C8y C 24.6150 -16.5899
12 C8y C 30.6737 -15.8856
13 O1a O 23.4045 -15.8856
14 C8x C 31.8842 -16.5956
15 C8x C 30.6737 -14.4889
16 C8y C 33.1006 -15.8915
17 C8x C 31.8842 -13.7962
18 C8y C 33.1006 -14.4946
19 O1a O 34.3111 -16.5956
20 O1a O 34.3111 -13.7962
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 2
7 4 8 2
8 4 9 1
9 5 10 2
10 6 11 2
11 10 12 1
12 11 13 1
13 12 14 2
14 12 15 1
15 14 16 1
16 15 17 2
17 16 18 2
18 16 19 1
19 18 20 1
20 7 10 1
21 8 11 1
22 17 18 1
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