ATOM 14
1 C8y C 25.0600 -8.8200
2 C2b C 26.2500 -8.1200
3 N2b N 27.4400 -8.8200 #+
4 C1b C 28.7000 -8.1200
5 C1b C 29.8900 -8.8200
6 O1a O 31.0800 -8.1200
7 O2x O 23.9400 -7.9800
8 C8y C 22.8200 -8.8200
9 C8x C 23.3100 -10.1500
10 C8x C 24.6400 -10.1500
11 N2b N 21.6300 -8.1200 #+
12 O3a O 20.3000 -8.9600 #-
13 O3a O 21.6300 -6.7900
14 O3a O 27.4228 -10.2199 #-
BOND 14
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 7 1
7 7 8 1
8 8 9 2
9 9 10 1
10 1 10 2
11 8 11 1
12 11 12 1
13 11 13 2
14 3 14 1
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