ATOM 22
1 C1y C 25.3520 -17.5696
2 C1y C 26.5751 -16.8765
3 C8y C 24.1580 -16.8648
4 O2x O 25.6373 -18.9384
5 C8y C 27.6060 -17.8201
6 C1x C 26.5809 -15.4785
7 C8y C 24.1637 -15.4726
8 C8x C 22.9639 -17.5579
9 C8y C 27.0236 -19.0898
10 C8x C 29.0040 -17.6861
11 O2x O 25.3753 -14.7796
12 C8y C 22.9639 -14.7737
13 C8x C 21.7523 -16.8648
14 C8x C 27.8332 -20.2372
15 C8x C 29.8136 -18.8276
16 C8y C 21.7523 -15.4726
17 O1a O 22.9639 -13.3816
18 C8y C 29.2312 -20.1033
19 O2a O 20.5465 -14.7737
20 O2a O 30.0351 -21.2391
21 C1a C 19.3408 -15.4669
22 C1a C 31.4213 -21.1110
BOND 25
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 5 10 1
10 6 11 1
11 7 12 1
12 8 13 2
13 9 14 1
14 10 15 2
15 12 16 2
16 12 17 1
17 14 18 2
18 16 19 1
19 18 20 1
20 19 21 1
21 20 22 1
22 5 9 2
23 7 11 1
24 13 16 1
25 15 18 1
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