ATOM 21
1 C8y C 28.5780 -17.8374
2 C8y C 28.5780 -19.1742
3 C8y C 26.2663 -17.8257
4 C8x C 29.7513 -17.1662
5 C8y C 29.7396 -19.8513
6 O2x O 27.4279 -19.8513
7 C8y C 26.2663 -19.1682
8 C8x C 25.1107 -17.1603
9 C8y C 30.9069 -17.8433
10 C8y C 30.9712 -19.1858
11 O2a O 29.7396 -21.2463
12 C8y C 25.1107 -19.8454
13 C8x C 23.9491 -17.8257
14 O1a O 32.1212 -17.1486
15 O2a O 32.1095 -19.8863
16 C1a C 30.9420 -21.9468
17 C8y C 23.9491 -19.1682
18 O2a O 25.1164 -21.1822
19 C1a C 33.3236 -19.1916
20 O1a O 22.7408 -19.8630
21 C1a C 23.9081 -21.8884
BOND 23
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 3 8 1
8 4 9 2
9 5 10 2
10 5 11 1
11 7 12 1
12 8 13 2
13 9 14 1
14 10 15 1
15 11 16 1
16 12 17 2
17 12 18 1
18 15 19 1
19 17 20 1
20 18 21 1
21 6 7 1
22 9 10 1
23 13 17 1
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