ATOM 24
1 C8x C 17.9200 -22.3300
2 C8y C 17.9200 -23.7300
3 C8y C 16.7300 -24.4300
4 C8x C 15.4700 -23.7300
5 C8y C 15.4700 -22.3300
6 C8x C 16.7300 -21.6300
7 N2b N 14.2800 -21.6300 #+
8 O3a O 13.0900 -22.3300 #-
9 O3a O 14.2800 -20.2300
10 O2a O 19.1100 -24.4300
11 N2b N 16.7300 -25.8300 #+
12 O3a O 17.9200 -26.5300
13 O3a O 15.4000 -26.6700 #-
14 N2b N 20.3000 -23.7300
15 C2b C 21.4900 -24.4300
16 C8y C 22.6800 -23.7300
17 C8x C 22.6800 -22.3300
18 C8y C 23.9400 -21.6300
19 C8y C 25.1300 -22.3300
20 C8y C 25.1300 -23.7300
21 C8x C 23.9400 -24.4300
22 O1a O 26.3200 -21.6300
23 X Br 23.9400 -20.2300
24 X Br 26.3200 -24.4300
BOND 25
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 7 9 2
10 2 10 1
11 3 11 1
12 11 12 2
13 11 13 1
14 10 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 19 20 1
21 20 21 2
22 16 21 1
23 19 22 1
24 18 23 1
25 20 24 1
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