ATOM 22
1 C8y C 25.3983 -16.2405
2 C2y C 26.6099 -16.9512
3 C8y C 24.1808 -16.9396
4 C8x C 25.4040 -14.8424
5 C5x C 27.8217 -16.2522
6 C2x C 26.5982 -18.3494
7 C8y C 22.9691 -16.2348
8 O5x O 24.1748 -18.3436
9 O2x O 24.1924 -14.1376
10 C2x C 29.0333 -16.9629
11 O5x O 27.8217 -14.8483
12 C5x C 27.8100 -19.0542
13 C8y C 22.9749 -14.8307
14 C8x C 21.7690 -16.9396
15 C2y C 29.0276 -18.3610
16 O5x O 27.8041 -20.4523
17 C8x C 21.7690 -14.1376
18 C8x C 20.5574 -16.2348
19 O2a O 30.2275 -19.0658
20 C8y C 20.5574 -14.8307
21 C1a C 31.4450 -18.3727
22 O1a O 19.3456 -14.1317
BOND 24
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 2
8 4 9 1
9 5 10 1
10 5 11 2
11 6 12 1
12 7 13 2
13 7 14 1
14 10 15 2
15 12 16 2
16 13 17 1
17 14 18 2
18 15 19 1
19 17 20 2
20 19 21 1
21 20 22 1
22 9 13 1
23 12 15 1
24 18 20 1
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