ATOM 14
1 C1b C 22.7052 -18.5731
2 C1b C 23.9190 -17.8722
3 C1b C 25.1330 -18.5731
4 C1d C 26.3467 -17.8722
5 C1b C 27.5606 -18.5731
6 C6a C 28.7745 -17.8722
7 S2a S 21.4913 -17.8722
8 C1a C 20.2944 -18.5634
9 O6a O 29.9739 -18.5645
10 O6a O 28.7745 -16.4500
11 C6a C 26.3467 -16.4722
12 O6a O 27.5483 -15.7782
13 O6a O 25.1045 -15.7553
14 O1a O 25.1343 -17.1722
BOND 13
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 7 1
7 7 8 1
8 6 9 1
9 6 10 2
10 4 11 1
11 11 12 2
12 11 13 1
13 4 14 1
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