ATOM 21
1 C1y C 30.5827 -16.2694
2 C1x C 30.9414 -14.9218
3 C1x C 32.3340 -14.9189
4 O7x O 32.8385 -16.1512
5 C7x C 31.7535 -17.0247
6 C1b C 22.0834 -16.9294
7 C1b C 23.2963 -16.2311
8 C1b C 24.5095 -16.9365
9 C5a C 25.7299 -16.2448
10 C1b C 26.9422 -16.9498
11 C5a C 28.1555 -16.2584
12 N1b N 29.3680 -16.9634
13 O6a O 31.7457 -18.4316
14 O5a O 28.1417 -14.8558
15 O5a O 25.7926 -14.8416
16 C1b C 20.8660 -16.2326
17 C1b C 19.6505 -16.9322
18 C1b C 18.4332 -16.2355
19 C1b C 17.2247 -16.9351
20 C1b C 16.0074 -16.2384
21 C1a C 14.7918 -16.9380
BOND 21
1 10 11 1
2 11 12 1
3 12 1 1
4 1 2 1
5 5 13 2
6 6 7 1
7 11 14 2
8 2 3 1
9 9 15 2
10 7 8 1
11 6 16 1
12 3 4 1
13 16 17 1
14 8 9 1
15 17 18 1
16 4 5 1
17 18 19 1
18 9 10 1
19 19 20 1
20 5 1 1
21 20 21 1
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