ATOM 13
1 C8y C 17.7800 -17.9900
2 C8y C 17.7800 -19.3900
3 C8y C 18.9924 -20.0900
4 N4y N 20.2049 -19.3900
5 C8y C 20.2049 -17.9900
6 N4x N 18.9924 -17.2900
7 C1a C 16.5676 -17.2900
8 X Br 16.5676 -20.0900
9 O5x O 18.9924 -21.4898
10 C1c C 21.4360 -20.1010
11 C1a C 22.6412 -19.4053
12 C1a C 21.4357 -21.4899
13 O5x O 21.4360 -17.2790
BOND 13
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1
8 2 8 1
9 3 9 2
10 4 10 1
11 10 11 1
12 10 12 1
13 5 13 2
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