ATOM 24
1 O0 O 30.5559 -25.1131
2 Z Na 26.5300 -21.1400 #+
3 C8y C 17.2200 -24.6400
4 C8y C 16.0300 -23.9400
5 O2x O 18.4100 -23.8000
6 C8x C 17.6400 -25.9700
7 C8x C 14.7700 -24.6400
8 C8x C 16.0300 -22.5400
9 C8y C 19.5300 -24.6400
10 N5x N 19.1100 -25.9700
11 C8x C 13.5800 -23.9400
12 C8x C 14.7700 -21.8400
13 C2b C 20.7200 -23.9400
14 C8y C 13.5800 -22.5400
15 N2b N 21.9800 -24.6400
16 N1y N 23.3100 -23.9400
17 C1x C 24.4300 -24.5000
18 C5x C 23.3100 -22.5400
19 C5x C 25.4100 -23.4500
20 N1x N 24.7800 -22.2600 #-
21 O5x O 22.2600 -21.8400
22 O5x O 26.7400 -23.4500
23 X Br 12.3647 -21.8449
24 O0 O 30.5559 -25.1131
BOND 23
1 3 4 1
2 3 5 1
3 3 6 2
4 4 7 2
5 4 8 1
6 5 9 1
7 6 10 1
8 7 11 1
9 8 12 2
10 9 13 1
11 11 14 2
12 13 15 2
13 15 16 1
14 16 17 1
15 16 18 1
16 17 19 1
17 18 20 1
18 18 21 2
19 19 22 2
20 9 10 2
21 12 14 1
22 19 20 1
23 14 23 1
BRACKET 1 28.6300 -26.1100 28.6300 -24.2200
1 31.1500 -24.2200 31.1500 -26.1100
1 2
ORIGINAL 1 1
REPEAT 1 24
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