ATOM 12
1 C5a C 26.6584 -22.6039
2 C2b C 25.4396 -21.8983
3 C1b C 27.8715 -21.8983
4 O5a O 26.6584 -24.0095
5 C2c C 25.4396 -20.4986
6 C6a C 29.0788 -22.5922
7 C6a C 26.6584 -19.7987
8 X Br 24.2265 -19.7987
9 O6a O 30.2860 -21.8924
10 O6a O 29.0845 -23.9862
11 O6a O 26.6584 -18.3990
12 O6a O 27.8656 -20.4986
BOND 11
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 3 6 1
6 5 7 1
7 5 8 1
8 6 9 1
9 6 10 2
10 7 11 1
11 7 12 2
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