ATOM 19
1 C8y C 20.9300 -21.9800
2 C8y C 20.9300 -20.5800
3 C8y C 22.1200 -19.8800
4 C8x C 23.3800 -20.5800
5 C8y C 23.3800 -21.9800
6 C8x C 22.1200 -22.6800
7 N2b N 19.7400 -22.6800 #+
8 O3a O 18.3400 -21.9800 #-
9 O3a O 19.7400 -24.0800
10 N2b N 24.5700 -22.6800 #+
11 O3a O 26.1100 -22.1200 #-
12 O3a O 24.5700 -24.0800
13 C1y C 22.1200 -18.4800
14 C1x C 20.9300 -17.7800
15 C1x C 20.9300 -16.3800
16 C1x C 22.1200 -15.6800
17 C1x C 23.3800 -16.3800
18 C1x C 23.3800 -17.7800
19 O1a O 19.7400 -19.8800
BOND 20
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 5 10 1
11 10 11 1
12 10 12 2
13 3 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 13 18 1
20 2 19 1
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