ATOM 28
1 C8x C 33.7267 -17.3575
2 C8x C 33.7267 -15.9871
3 C8x C 32.5619 -15.3019
4 C8y C 31.3286 -15.9871
5 C8y C 31.3286 -17.3575
6 C8y C 32.5619 -18.0426
7 X Cl 32.5619 -19.4130
8 C1b C 30.1638 -18.0426
9 N1c N 28.9304 -17.3575
10 C8y C 27.7656 -18.0426
11 C8y C 26.6008 -17.3575
12 C8x C 25.3675 -18.0426
13 C8y C 25.3675 -19.4130
14 C8x C 26.6008 -20.0982
15 C8y C 27.7656 -19.4130
16 N2b N 28.9304 -20.0982 #+
17 O3a O 28.9304 -21.4686
18 O3a O 30.1638 -20.7834 #-
19 N2b N 26.6008 -15.9871 #+
20 O3a O 27.7656 -15.3019
21 O3a O 25.4360 -15.3019 #-
22 C1d C 24.2026 -20.0982
23 X F 23.0378 -19.4130
24 X F 24.2026 -21.4686
25 X F 22.9693 -20.7834
26 C1b C 28.9304 -15.1649
27 C1a C 30.0952 -14.4797
28 X F 30.1638 -15.3019
BOND 29
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 6 7 1
8 5 8 1
9 8 9 1
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 10 15 1
17 15 16 1
18 16 17 2
19 16 18 1
20 11 19 1
21 19 20 2
22 19 21 1
23 13 22 1
24 22 23 1
25 22 24 1
26 22 25 1
27 9 26 1
28 26 27 1
29 4 28 1
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