ATOM 17
1 C8y C 25.6727 -19.5173
2 C8y C 25.6669 -20.9153
3 C8y C 26.8893 -18.8213
4 N5x N 24.4678 -18.8154
5 C8x C 26.8776 -21.6231
6 N5x N 24.4678 -21.6172
7 C8y C 28.1001 -19.5290
8 X Br 26.8953 -17.4232
9 C8x C 23.2511 -19.5173
10 C8x C 28.0944 -20.9270
11 C8x C 23.2511 -20.9153
12 N1b N 29.3110 -18.8330
13 C2y C 30.5218 -19.5350
14 N1x N 31.6566 -18.7101
15 N2x N 30.9605 -20.8686
16 C1x C 32.7915 -19.5350
17 C1x C 32.3586 -20.8686
BOND 19
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 2
9 5 10 2
10 6 11 2
11 7 12 1
12 12 13 1
13 13 14 1
14 13 15 2
15 14 16 1
16 15 17 1
17 7 10 1
18 9 11 1
19 16 17 1
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