ATOM 21
1 C8y C 26.0468 -34.0839
2 C8y C 27.3908 -33.6574
3 C8y C 26.0409 -35.4864
4 O2x O 24.8430 -33.3769 #+
5 C8y C 28.2031 -34.7968
6 C8y C 27.9694 -32.3776
7 O2x O 27.3732 -35.9305
8 C8x C 24.8313 -36.1759
9 C8y C 23.6276 -34.0722
10 C8x C 29.5996 -34.6625
11 C8x C 29.3659 -32.2432
12 O1a O 27.1572 -31.2439
13 C8y C 23.6917 -35.4688
14 C8x C 22.4238 -33.3710
15 C8y C 30.1841 -33.3827
16 C8x C 22.4238 -36.1700
17 C8y C 21.2084 -34.0722
18 O1a O 31.5748 -33.2483
19 C8y C 21.2084 -35.4688
20 O1a O 19.9988 -33.3710
21 O1a O 19.9988 -36.1700
BOND 24
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 5 10 1
10 6 11 2
11 6 12 1
12 8 13 1
13 9 14 1
14 10 15 2
15 13 16 1
16 14 17 2
17 15 18 1
18 16 19 2
19 17 20 1
20 19 21 1
21 5 7 1
22 9 13 2
23 11 15 1
24 17 19 1
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