ATOM 15
1 C1d C 25.6200 -18.4100
2 C5a C 26.8800 -17.7100
3 N1b N 28.0700 -18.4100
4 C5a C 29.2600 -17.7100
5 N1b N 30.5200 -18.4100
6 O5a O 29.2600 -16.3100
7 O5a O 26.8800 -16.3100
8 C1b C 24.4300 -17.7100
9 C1a C 23.2400 -18.4100
10 C1b C 25.6200 -19.8100
11 C1a C 24.4300 -20.5100
12 X Br 25.6200 -17.0100
13 C5a C 31.7207 -17.6901
14 C1a C 32.9446 -18.3700
15 O5a O 31.6978 -16.3101
BOND 14
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 4 6 2
6 2 7 2
7 1 8 1
8 8 9 1
9 1 10 1
10 10 11 1
11 1 12 1
12 5 13 1
13 13 14 1
14 13 15 2
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