ATOM 22
1 C8y C 23.0130 -18.5380
2 C8y C 23.0130 -17.1384
3 C8y C 24.2142 -19.2436
4 C8y C 21.7999 -19.2319
5 O2x O 24.2259 -16.4444
6 C8x C 21.7999 -16.4386
7 C8y C 25.4389 -18.5497
8 O5x O 24.2084 -20.6432
9 C8y C 20.5870 -18.5438
10 O1a O 21.7999 -20.6374
11 C8y C 25.4389 -17.1442
12 C8y C 20.5812 -17.1384
13 O1a O 26.6402 -19.2495
14 O1a O 19.3799 -19.2495
15 C8y C 26.6518 -16.4444
16 O1a O 19.3741 -16.4444
17 C8x C 26.6518 -15.0507
18 C8x C 27.8590 -17.1501
19 C8x C 27.8590 -14.3452
20 C8x C 29.0778 -16.4444
21 C8y C 29.0778 -15.0507
22 O1a O 30.2907 -14.3392
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 1
7 3 8 2
8 4 9 2
9 4 10 1
10 5 11 1
11 6 12 2
12 7 13 1
13 9 14 1
14 11 15 1
15 12 16 1
16 15 17 1
17 15 18 2
18 17 19 2
19 18 20 1
20 19 21 1
21 21 22 1
22 7 11 2
23 9 12 1
24 20 21 2
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