ATOM 22
1 C8y C 27.0202 -16.5609
2 C8y C 26.9851 -17.9548
3 O2x O 28.2451 -15.8900 #+
4 C8x C 25.8128 -15.8318
5 C8x C 28.1751 -18.6781
6 C8y C 25.7603 -18.6314
7 C8y C 29.4292 -16.6192
8 C8y C 24.5880 -16.5084
9 C8y C 29.3942 -18.0132
10 C8y C 24.5587 -17.9140
11 O1a O 25.7370 -20.0372
12 C8y C 30.6597 -15.9426
13 O1a O 23.3863 -15.7792
14 O1a O 30.5899 -18.7424
15 O1a O 23.3339 -18.5906
16 C8x C 31.8497 -16.6776
17 C8x C 30.6890 -14.5427
18 C8y C 33.0804 -16.0010
19 C8x C 31.9197 -13.8719
20 C8y C 33.1154 -14.6011
21 O1a O 34.2819 -16.7358
22 O1a O 34.3461 -13.9362
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 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 9 14 1
14 10 15 1
15 12 16 2
16 12 17 1
17 16 18 1
18 17 19 2
19 18 20 2
20 18 21 1
21 20 22 1
22 7 9 1
23 8 10 1
24 19 20 1
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