ATOM 13
1 C1d C 20.8600 -17.6400
2 N2b N 22.2600 -17.6400 #+
3 N2b N 19.4600 -17.6400 #+
4 N2b N 20.8600 -16.2400 #+
5 N2b N 20.8600 -19.0400 #+
6 O3a O 22.4224 -15.2600
7 O3a O 19.6476 -15.2600 #-
8 O3a O 22.9600 -18.8524
9 O3a O 23.0300 -16.2876 #-
10 O3a O 19.6476 -19.7400
11 O3a O 22.0724 -19.7400 #-
12 O3a O 18.7600 -16.4276
13 O3a O 18.4800 -18.8524 #-
BOND 12
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1
5 4 6 2
6 4 7 1
7 2 8 2
8 2 9 1
9 5 10 2
10 5 11 1
11 3 12 2
12 3 13 1
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