ATOM 18
1 C8y C 21.2800 -15.7500
2 C8y C 21.2800 -17.0800
3 C8x C 22.5400 -17.7800
4 C8y C 23.7300 -17.0800
5 C8y C 23.7300 -15.7500
6 C8x C 22.5400 -15.0500
7 C1z C 25.0600 -17.5700
8 C1z C 25.9000 -16.4500
9 O2x O 25.0600 -15.3300
10 C1x C 25.9000 -18.6900
11 C1x C 27.2300 -18.2700
12 C1y C 27.2300 -16.8700
13 C1a C 20.0900 -15.0500
14 X Br 20.0900 -17.7800
15 C4a C 26.7400 -14.9800
16 C1a C 24.2900 -18.6200
17 C1a C 28.3500 -16.1700
18 O4a O 26.0373 -13.7691
BOND 20
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 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 7 10 1
12 10 11 1
13 11 12 1
14 8 12 1
15 1 13 1
16 2 14 1
17 8 15 1 #Down
18 7 16 1 #Down
19 12 17 1 #Up
20 15 18 2
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