ATOM 20
1 C1d C 24.9745 -20.1795
2 C8y C 23.7645 -19.4791
3 C1a C 26.1915 -20.8800
4 C1a C 25.6820 -18.9697
5 C1a C 24.2812 -21.3965
6 C8y C 21.4916 -19.4791
7 N1b N 20.2817 -20.1795
8 S4a S 19.0718 -19.4791
9 C8y C 17.8618 -20.1795
10 N5x N 21.9276 -18.1474
11 S2x S 22.6281 -20.3056
12 N5x N 23.3286 -18.1474
13 O3c O 20.0739 -18.4942
14 O3c O 18.0857 -18.4942
15 C8x C 16.6583 -19.4809
16 C8x C 15.4483 -20.1814
17 C8y C 15.4500 -21.5795
18 C8x C 16.6615 -22.2769
19 C8x C 17.8714 -21.5764
20 N1a N 14.2314 -22.2851
BOND 21
1 1 2 1
2 10 6 2
3 6 11 1
4 11 2 1
5 2 12 2
6 12 10 1
7 6 7 1
8 8 13 2
9 1 4 1
10 8 14 2
11 7 8 1
12 8 9 1
13 1 5 1
14 1 3 1
15 9 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 19 9 1
21 17 20 1
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