 ATOM 20
1 N5x N 31.1500 -19.4600
2 C8y C 31.1500 -18.0600
3 N5x N 29.9600 -17.3600
4 C8x C 28.7700 -18.0600
5 C8y C 28.7700 -19.4600
6 C8y C 29.9600 -20.1600
7 C1b C 27.5100 -20.1600
8 C8y C 26.3200 -19.4600
9 C8x C 26.3200 -18.0600
10 C8y C 25.0600 -17.3600
11 C8y C 23.8700 -18.0600
12 C8y C 23.8700 -19.4600
13 C8x C 25.0600 -20.1600
14 N1a N 29.9600 -21.5600
15 N1a N 32.3400 -17.3600
16 O2a O 22.6800 -20.1600
17 X Br 22.6800 -17.3600
18 O2a O 25.0600 -15.9600
19 C1a C 21.4900 -19.4600
20 C1a C 26.2724 -15.2600
BOND 21
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 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 6 14 1
16 2 15 1
17 12 16 1
18 11 17 1
19 10 18 1
20 16 19 1
21 18 20 1
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