ATOM 14
1 C5a C 28.8856 -15.2947
2 C6a C 30.0825 -15.9886
3 C1b C 27.6825 -15.9886
4 O5a O 28.8856 -13.9131
5 O6a O 30.0762 -17.5153
6 O6a O 31.2793 -15.2947
7 S2a S 26.4856 -15.3011
8 C8y C 25.2952 -16.0076
9 C8x C 24.0921 -15.3201
10 C8x C 25.2443 -17.4018
11 C8x C 22.8826 -16.0331
12 C8x C 24.1111 -18.1148
13 C8y C 22.8826 -17.4272
14 X Br 21.6857 -18.1275
BOND 14
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 1
7 7 8 1
8 8 9 2
9 8 10 1
10 9 11 1
11 10 12 2
12 11 13 2
13 13 14 1
14 12 13 1
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