ATOM 12
1 C5a C 27.5240 -25.6833
2 C1b C 28.7337 -24.9809
3 S2a S 29.9414 -25.6730
4 P1a P 31.1562 -24.9738
5 O2b O 31.1562 -23.5754
6 C1a C 29.9414 -22.8762
7 O2b O 32.3710 -25.6659
8 C1a C 32.3710 -27.0642
9 S0 S 32.3710 -24.2606
10 N1b N 26.2765 -24.9673
11 O5a O 27.5270 -27.0676
12 C1a C 25.0835 -25.6601
BOND 11
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 4 7 1
7 7 8 1
8 4 9 2
9 1 10 1
10 1 11 2
11 10 12 1
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