ATOM 23
1 C8y C 27.8979 -18.3577
2 C8y C 29.2869 -18.3577
3 C8y C 27.0868 -19.4783
4 C8x C 27.4603 -17.0272
5 C8y C 30.0981 -19.4783
6 S2x S 29.7188 -17.0272
7 C8x C 25.6920 -19.4666
8 C8x C 27.7637 -20.6863
9 C8y C 28.5925 -16.2101
10 C8x C 29.4270 -20.6921
11 C8x C 31.4987 -19.4549
12 C8x C 24.9858 -20.6630
13 C8x C 27.0634 -21.8127
14 C8x C 30.1448 -21.8127
15 C8x C 32.2050 -20.6454
16 C8y C 25.6744 -21.8710
17 C8y C 31.5280 -21.8594
18 S4a S 24.9684 -23.0674
19 X F 32.2458 -23.0498
20 C1a C 24.0170 -24.3222
21 O3c O 26.1238 -23.8493
22 O3c O 23.8070 -22.2153
23 X Br 28.5815 -14.8128
BOND 25
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 2
9 5 10 2
10 5 11 1
11 7 12 2
12 8 13 1
13 10 14 1
14 11 15 2
15 12 16 1
16 14 17 2
17 16 18 1
18 17 19 1
19 18 20 1
20 18 21 2
21 18 22 2
22 6 9 1
23 13 16 2
24 15 17 1
25 9 23 1
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