ATOM 22
1 C8x C 20.3000 -21.4900
2 C8y C 20.3000 -22.8900
3 C8x C 21.4900 -23.5900
4 C8x C 22.6800 -22.8900
5 C8y C 22.6800 -21.4900
6 C8x C 21.4900 -20.7900
7 N1a N 19.0400 -23.5900
8 S4a S 23.8700 -20.7900
9 N1b N 25.0600 -21.4900 #-
10 C8y C 26.2500 -20.7900
11 C8x C 27.4400 -21.4900
12 C8y C 28.7000 -20.7900
13 N5x N 28.7000 -19.3900
14 C8y C 27.4400 -18.6900
15 N5x N 26.2500 -19.3900
16 O3c O 24.9200 -19.7400
17 O3c O 22.8900 -19.7400
18 O2a O 29.8900 -21.4900
19 C1a C 31.0800 -20.7900
20 O2a O 27.4400 -17.2900
21 C1a C 28.7000 -16.5900
22 Z Na 24.8500 -23.3800 #+
BOND 22
1 4 5 1
2 5 6 2
3 6 1 1
4 2 7 1
5 10 11 2
6 11 12 1
7 12 13 2
8 13 14 1
9 14 15 2
10 15 10 1
11 1 2 2
12 8 16 2
13 5 8 1
14 8 17 2
15 2 3 1
16 12 18 1
17 8 9 1
18 18 19 1
19 3 4 2
20 14 20 1
21 9 10 1
22 20 21 1
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