ATOM 23
1 C8y C 27.1600 -17.6400
2 C8x C 27.1600 -19.0400
3 C8x C 25.9700 -19.7400
4 C8y C 24.7800 -19.0400
5 C8x C 24.7800 -17.6400
6 C8y C 25.9700 -16.9400
7 C8x C 32.0600 -17.6400
8 C8y C 32.0600 -19.0400
9 C8x C 30.8000 -19.7400
10 C8x C 29.6100 -19.0400
11 C8y C 29.6100 -17.6400
12 C8x C 30.8000 -16.8700
13 O2a O 28.4200 -16.9400
14 C1d C 23.5900 -19.7400
15 N2b N 33.2500 -19.7400 #+
16 O3a O 34.7900 -19.1100 #-
17 O3a O 33.2500 -21.1400
18 X F 23.5900 -21.1400
19 X F 22.3300 -19.0400
20 X F 22.3300 -20.4400
21 N2b N 25.9700 -15.5400 #+
22 O3a O 24.7100 -14.8400 #-
23 O3a O 27.3700 -14.6300
BOND 24
1 11 12 2
2 12 7 1
3 6 1 1
4 11 13 1
5 13 1 1
6 4 14 1
7 1 2 2
8 8 15 1
9 2 3 1
10 15 16 1
11 3 4 2
12 15 17 2
13 4 5 1
14 14 18 1
15 5 6 2
16 14 19 1
17 7 8 2
18 14 20 1
19 8 9 1
20 6 21 1
21 9 10 2
22 21 22 1
23 10 11 1
24 21 23 2
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