ATOM 17
1 C1x C 18.6900 -13.7200
2 C1y C 18.6900 -15.1200
3 C1z C 19.9500 -15.8200
4 C1y C 21.1400 -15.1200
5 C2y C 21.1400 -13.7200
6 C1x C 19.9500 -13.0900
7 X Br 17.2900 -15.8200
8 C1a C 18.9700 -16.8000
9 C1a C 20.7900 -16.8700
10 C1b C 22.3300 -15.8200
11 C1b C 23.5200 -15.1200
12 C1d C 24.7100 -15.8200
13 C2b C 25.9700 -15.1200
14 C2a C 27.1600 -15.8200
15 O1a O 25.4100 -17.0100
16 C1a C 24.0800 -17.0100
17 C2a C 22.3300 -13.0200
BOND 17
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 2 7 1 #Down
8 3 8 1
9 3 9 1
10 4 10 1 #Up
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 2
15 12 15 1
16 12 16 1
17 5 17 2
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