ATOM 13
1 P1a P 28.3500 -16.9400
2 O3b O 28.3500 -15.5400
3 S2a S 29.7500 -16.9400
4 O2b O 26.9500 -16.9400
5 S2a S 28.3500 -18.3400
6 C1b C 30.4500 -18.2000
7 C1b C 31.8500 -18.2000
8 C1b C 26.2500 -15.7500
9 C1a C 24.8500 -15.7500
10 C1b C 27.1600 -19.0400
11 C1b C 27.1600 -20.4400
12 C1a C 32.5500 -19.4124
13 C1a C 25.9476 -21.1400
BOND 12
1 1 2 2
2 1 3 1
3 1 4 1
4 1 5 1
5 3 6 1
6 6 7 1
7 4 8 1
8 8 9 1
9 5 10 1
10 10 11 1
11 7 12 1
12 11 13 1
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