ATOM 14
1 P1b P 28.7526 -13.8195
2 O2b O 28.7643 -15.2111
3 O1c O 30.2198 -13.8602
4 O1c O 27.4075 -13.8545
5 O1c O 28.7467 -12.4279
6 C8y C 28.7643 -16.6086
7 C8x C 27.5589 -17.3016
8 C8x C 29.9870 -17.3016
9 C8x C 27.5589 -18.7107
10 C8x C 29.9870 -18.7107
11 C8y C 28.7643 -19.4211
12 N2b N 28.7643 -20.8127 #+
13 O3a O 29.9578 -21.6571
14 O3a O 27.4130 -21.7971 #-
BOND 14
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 2
5 2 6 1
6 6 7 2
7 6 8 1
8 7 9 1
9 8 10 2
10 9 11 2
11 11 12 1
12 12 13 2
13 12 14 1
14 10 11 1
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