ATOM 19
1 C8x C 25.2700 -18.0600
2 C8x C 25.2700 -19.4601
3 C8x C 26.4825 -20.1601
4 C8y C 27.6950 -19.4601
5 C8y C 27.6950 -18.0600
6 C8y C 26.4825 -17.3600
7 C8y C 28.9074 -17.3600
8 C8y C 28.9074 -15.9600
9 C8x C 27.6950 -15.2600
10 C8x C 26.4825 -15.9600
11 C8x C 28.9074 -20.1601
12 C8x C 30.1198 -19.4601
13 C8y C 30.1198 -18.0600
14 C8x C 31.3323 -17.3600
15 C8x C 31.3323 -15.9600
16 C8y C 30.1198 -15.2600
17 N2b N 30.1198 -13.8601 #+
18 O3a O 28.8926 -13.1515
19 O3a O 31.5274 -13.1686 #-
BOND 22
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 6 10 2
12 4 11 1
13 11 12 2
14 12 13 1
15 7 13 1
16 13 14 2
17 14 15 1
18 15 16 2
19 8 16 1
20 16 17 1
21 17 18 2
22 17 19 1
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