ATOM 21
1 C8y C 27.9129 -18.8195
2 C8y C 27.9071 -20.2229
3 C8y C 26.7017 -18.1266
4 C5x C 29.1183 -18.1324
5 C8y C 26.7017 -20.9276
6 C5x C 29.1067 -20.9334
7 C8y C 25.4846 -18.8195
8 O1a O 26.7017 -16.7231
9 C2y C 30.3297 -18.8312
10 O5x O 29.1242 -16.7290
11 C8y C 25.4846 -20.2229
12 O1a O 26.6374 -22.3253
13 C2y C 30.3238 -20.2346
14 O5x O 29.1009 -22.3310
15 O2x O 24.1509 -18.3945
16 O2a O 31.5466 -18.1383
17 O2x O 24.1569 -20.6598
18 O2a O 31.5349 -20.9393
19 C1x C 23.3299 -19.5300
20 C1a C 32.7580 -18.8428
21 C1a C 32.7520 -20.2405
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 1
9 4 10 2
10 5 11 2
11 5 12 1
12 6 13 1
13 6 14 2
14 7 15 1
15 9 16 1
16 11 17 1
17 13 18 1
18 15 19 1
19 16 20 1
20 18 21 1
21 7 11 1
22 9 13 2
23 17 19 1
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