ATOM 22
1 C8x C 20.5800 -20.5800
2 C8x C 20.5800 -21.9800
3 C8x C 19.3900 -22.6800
4 C8y C 18.1300 -21.9800
5 C8x C 18.1300 -20.5800
6 C8x C 19.3900 -19.8800
7 C5a C 16.9400 -22.6800
8 N1c N 15.6800 -21.9800
9 C8y C 14.4900 -22.6800
10 C8x C 14.4900 -24.0800
11 C8x C 13.3000 -24.7800
12 C8y C 12.0400 -24.0800
13 C8y C 12.0400 -22.6800
14 C8x C 13.3000 -21.9800
15 O5a O 16.9400 -24.0800
16 C1c C 15.6800 -20.5800
17 C6a C 14.4900 -19.8800
18 C1a C 16.8700 -19.8800
19 O6a O 13.3000 -20.5800
20 O6a O 14.4900 -18.4800
21 X Cl 10.8500 -21.9800
22 X F 10.8500 -24.7800
BOND 23
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 9 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 9 14 1
16 7 15 2
17 8 16 1
18 16 17 1
19 16 18 1
20 17 19 1
21 17 20 2
22 13 21 1
23 12 22 1
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