 ATOM 21
1 C1c C 28.7066 -19.6897
2 C1b C 29.9186 -20.3924
3 C1b C 27.4887 -20.3924
4 C1b C 31.1307 -19.6897
5 C1b C 32.3428 -20.3924
6 C1b C 33.5608 -19.6897
7 C5a C 34.7729 -20.3924
8 N1b N 35.9790 -19.6779
9 O5a O 34.7669 -21.7977
10 S1a S 28.7075 -18.3135
11 S2a S 25.2830 -20.4665
12 C5a C 24.0998 -19.7816
13 C1b C 22.8844 -20.4832
14 C1b C 21.6691 -19.7816
15 C1b C 20.4538 -20.4832
16 C6a C 19.2384 -19.7816
17 O6a O 18.0232 -20.4832
18 O5a O 24.1005 -18.3784
19 O6a O 19.2384 -18.3785
20 C1b C 26.2630 -19.6971
21 R R 37.3797 -19.6779
BOND 20
1 1 2 1
2 1 3 1
3 2 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 7 9 2
9 1 10 1
10 11 12 1
11 12 13 1
12 13 14 1
13 14 15 1
14 15 16 1
15 16 17 1
16 12 18 2
17 16 19 2
18 11 20 1
19 3 20 1
20 8 21 1
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