ATOM 32
1 C8x C 19.8100 -19.0400
2 C8x C 19.8100 -20.4400
3 C8x C 21.0000 -21.1400
4 C8y C 22.1900 -20.4400
5 C8y C 22.1900 -19.0400
6 C8y C 21.0000 -18.4100
7 C5a C 23.4500 -18.4100
8 N1b N 24.6400 -19.0400
9 C5a C 25.8300 -18.4100
10 N1b N 27.0200 -19.0400
11 C8y C 28.2800 -18.4100
12 X F 21.0000 -17.0100
13 X F 23.4500 -21.1400
14 O5a O 23.4500 -17.0100
15 O5a O 25.8300 -17.0100
16 C8y C 29.4700 -19.1100
17 C8x C 30.6600 -18.4100
18 C8y C 30.6600 -17.0100
19 C8y C 29.4700 -16.3100
20 C8x C 28.2800 -17.0100
21 O2a O 31.9200 -16.3100
22 X Cl 29.4700 -14.9100
23 X Cl 29.4700 -20.4400
24 C1d C 33.2500 -17.0800
25 C1c C 34.5100 -17.7100
26 X F 33.9500 -15.8200
27 X F 32.5500 -18.2700
28 C1d C 35.7000 -17.0800
29 X F 36.8900 -16.3800
30 X F 36.4000 -18.2700
31 X F 35.0000 -15.8200
32 X F 34.5100 -19.1100
BOND 33
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 1
10 9 10 1
11 10 11 1
12 6 12 1
13 4 13 1
14 7 14 2
15 9 15 2
16 11 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 11 20 1
22 18 21 1
23 19 22 1
24 16 23 1
25 24 25 1
26 24 26 1
27 24 27 1
28 25 28 1
29 28 29 1
30 28 30 1
31 28 31 1
32 25 32 1
33 21 24 1
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