ATOM 21
1 C8y C 23.5281 -16.9172
2 C8y C 23.5340 -15.5191
3 C5x C 24.7398 -17.6222
4 C8y C 22.3222 -17.6163
5 O2x O 24.7515 -14.8201
6 C8x C 22.3222 -14.8143
7 C1y C 25.9514 -16.9289
8 O5x O 24.7339 -18.8103
9 C8x C 21.1106 -16.9172
10 O1a O 22.3281 -19.0144
11 C1x C 25.9573 -15.5308
12 C8y C 21.1106 -15.5191
13 C8y C 27.1632 -17.6338
14 O1a O 19.8931 -14.8143
15 C8y C 27.1456 -19.0319
16 C8x C 28.3690 -16.9405
17 C8x C 28.3574 -19.7425
18 O1a O 25.9281 -19.7251
19 C8x C 29.5806 -17.6396
20 C8y C 29.6449 -19.0436
21 O1a O 30.7865 -19.7484
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 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 12 14 1
14 13 15 2
15 13 16 1
16 15 17 1
17 15 18 1
18 16 19 2
19 17 20 2
20 20 21 1
21 7 11 1
22 9 12 1
23 19 20 1
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