ATOM 15
1 C8y C 27.5800 -21.0000
2 C8x C 27.5800 -22.4000
3 C8y C 26.3900 -23.1000
4 C8x C 25.2000 -22.4000
5 C8y C 25.2000 -21.0000
6 C8y C 26.3900 -20.3000
7 C1a C 26.3900 -18.9000
8 N1a N 23.9400 -20.3000
9 N1b N 26.3900 -24.5000
10 N2b N 28.8400 -20.3000 #+
11 O3a O 30.0300 -21.0000
12 O3a O 28.8400 -18.9000 #-
13 C5a C 27.6053 -25.1951
14 C1a C 28.7937 -24.5023
15 O5a O 27.6111 -26.5997
BOND 15
1 6 7 1
2 1 2 2
3 5 8 1
4 2 3 1
5 3 9 1
6 3 4 2
7 4 5 1
8 5 6 2
9 6 1 1
10 1 10 1
11 10 11 2
12 10 12 1
13 9 13 1
14 13 14 1
15 13 15 2
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