ATOM 16
1 P1a P 21.9800 -17.0100
2 S0 S 23.1000 -16.0300
3 O2b O 20.9300 -17.9900
4 O2b O 20.9300 -16.0300
5 O2b O 23.2400 -17.9900
6 C8y C 24.6400 -17.9900
7 C8x C 25.2700 -19.1800
8 C8x C 26.6700 -19.1800
9 C8y C 27.3700 -17.9900
10 C8x C 26.6700 -16.8000
11 C8x C 25.3400 -16.8000
12 N2b N 28.8400 -17.9900 #+
13 O3a O 29.5400 -19.2024 #-
14 O3a O 29.4700 -16.5676
15 C1a C 19.5910 -17.5813
16 C1a C 19.5910 -16.4387
BOND 16
1 1 2 2
2 1 3 1
3 1 4 1
4 1 5 1
5 5 6 1
6 6 7 2
7 7 8 1
8 8 9 2
9 9 10 1
10 10 11 2
11 6 11 1
12 9 12 1
13 12 13 1
14 12 14 2
15 3 15 1
16 4 16 1
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