ATOM 13
1 C8y C 22.4000 -21.9800
2 C8x C 22.4000 -23.3800
3 C8x C 23.5900 -24.0800
4 C8y C 24.8500 -23.3800
5 C8x C 24.8500 -21.9800
6 C8x C 23.5900 -21.2800
7 S4a S 21.1400 -21.2800
8 N1a N 19.9500 -20.5800
9 O3c O 21.8400 -20.0900
10 O3c O 20.4400 -22.4700
11 C6a C 26.0400 -24.0800
12 O6a O 27.2300 -23.4500
13 O6a O 26.0400 -25.5500
BOND 13
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 7 8 1
9 7 9 2
10 7 10 2
11 4 11 1
12 11 12 1
13 11 13 2
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