ATOM 25
1 C8y C 26.8316 -19.8926
2 C8y C 25.6101 -19.2048
3 N5y N 28.0352 -19.2048 #+
4 C8y C 26.8316 -21.2770
5 C8y C 25.6101 -17.8144
6 C8x C 24.3910 -19.8926
7 C8y C 28.0352 -17.8144
8 C1b C 29.2496 -19.9249
9 C8x C 25.6101 -21.9752
10 C8x C 28.0352 -22.0089
11 C8y C 26.8316 -17.1164
12 C8x C 24.3910 -17.1164
13 C8y C 23.1858 -19.2048
14 C8x C 29.2496 -17.0837
15 C1a C 30.4920 -19.2434
16 C8x C 25.6101 -23.4050
17 C8x C 28.0352 -23.4050
18 C8x C 26.8316 -15.6864
19 C8x C 23.1858 -17.8144
20 N1a N 22.0262 -19.8926
21 C8y C 29.2496 -15.6864
22 C8x C 26.8316 -24.0974
23 C8x C 28.0352 -14.9883
24 N1a N 30.4920 -14.9883
25 X Br 33.9821 -16.2341 #-
BOND 27
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 2
13 7 14 1
14 8 15 1
15 9 16 1
16 10 17 2
17 11 18 1
18 12 19 2
19 13 20 1
20 14 21 2
21 16 22 2
22 18 23 2
23 21 24 1
24 7 11 2
25 13 19 1
26 17 22 1
27 21 23 1
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