ATOM 28
1 C1y C 28.6300 -19.0400
2 C1y C 27.4400 -19.7400
3 C1z C 28.6300 -17.7100
4 C1x C 31.0800 -19.1100
5 C1y C 26.2500 -19.1100
6 C1x C 27.4400 -21.1400
7 C1z C 29.8900 -17.0100
8 C1x C 27.4400 -17.0100
9 C1a C 28.6300 -16.3100
10 C1x C 31.0800 -17.7100
11 C1z C 25.0600 -19.8100
12 C1x C 26.2500 -17.7100
13 C1y C 26.2500 -21.8400
14 C5a C 29.8900 -15.6800
15 O1a O 30.8000 -16.5200
16 C2y C 25.0600 -21.1400
17 C1x C 23.8700 -19.1100
18 C1a C 25.0600 -18.4100
19 C1a C 31.0100 -14.9800
20 O5a O 28.7000 -14.9800
21 C2x C 23.8700 -21.8400
22 C1x C 22.6800 -19.8100
23 C5x C 22.6800 -21.1400
24 O5x O 21.5600 -21.8400
25 C1d C 26.2500 -23.2400
26 X F 24.9200 -23.2400
27 X F 26.2500 -24.6400
28 X F 27.6500 -23.2400
BOND 31
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 3 9 1 #Up
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 7 14 1 #Up
14 7 15 1 #Down
15 11 16 1
16 11 17 1
17 11 18 1 #Up
18 14 19 1
19 14 20 2
20 16 21 2
21 17 22 1
22 21 23 1
23 23 24 2
24 7 10 1
25 8 12 1
26 13 16 1
27 22 23 1
28 13 25 1 #Down
29 25 26 1
30 25 27 1
31 25 28 1
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