ATOM 31
1 C1d C 17.9649 -15.4700
2 C1d C 19.1773 -14.7700
3 C1d C 20.3897 -15.4700
4 C1d C 21.6022 -14.7700
5 C1d C 22.8146 -15.4700
6 C1d C 24.0270 -14.7700
7 C1d C 25.2395 -15.4700
8 C1d C 26.4519 -14.7700
9 S4a S 27.6704 -15.4735
10 N1b N 28.8828 -16.1735
11 O3c O 28.4503 -14.2736
12 O3c O 26.9704 -16.6859
13 C1b C 30.1170 -15.4607
14 C1a C 31.3207 -16.1556
15 X F 27.1519 -13.5576
16 X F 25.7519 -13.5576
17 X F 24.5395 -16.6824
18 X F 25.8818 -16.7523
19 X F 24.3894 -13.4177
20 X F 23.3270 -13.5576
21 X F 23.5146 -16.6824
22 X F 22.1146 -16.6824
23 X F 22.3022 -13.5576
24 X F 20.9022 -13.5576
25 X F 21.0897 -16.6824
26 X F 19.6897 -16.6824
27 X F 19.8773 -13.5576
28 X F 18.4773 -13.5576
29 X F 16.7714 -14.7807
30 X F 17.9648 -16.8698
31 X F 16.7525 -16.1700
BOND 30
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 9 11 2
11 9 12 2
12 10 13 1
13 13 14 1
14 8 15 1
15 8 16 1
16 7 17 1
17 7 18 1
18 6 19 1
19 6 20 1
20 5 21 1
21 5 22 1
22 4 23 1
23 4 24 1
24 3 25 1
25 3 26 1
26 2 27 1
27 2 28 1
28 1 29 1
29 1 30 1
30 1 31 1
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