ATOM 27
1 C8y C 12.7400 -17.0800
2 C8x C 12.7400 -18.4800
3 C8y C 13.9524 -19.1800
4 N5x N 15.1649 -18.4800
5 C8y C 15.1649 -17.0800
6 N5x N 13.9524 -16.3800
7 N1b N 16.4024 -16.3800
8 C5a C 17.6149 -17.0800
9 N1b N 18.8273 -16.3800
10 S4a S 20.0397 -17.0800
11 C8y C 21.2522 -16.3800
12 O2a O 11.5276 -16.3800
13 C1a C 10.3321 -17.0704
14 O2a O 13.9524 -20.5798
15 C1a C 12.7232 -21.2897
16 O5a O 17.6149 -18.4798
17 O3c O 19.3397 -18.2924
18 O3c O 21.0297 -18.1399
19 C8y C 22.4853 -17.0922
20 C8x C 23.6979 -16.3924
21 C8x C 23.6981 -14.9924
22 C8x C 22.4650 -14.2802
23 N5x N 21.2524 -14.9800
24 C1d C 22.4849 -18.4799
25 X F 21.2611 -19.1861
26 X F 23.6860 -19.1738
27 X F 22.4849 -19.8799
BOND 28
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 1 12 1
13 12 13 1
14 3 14 1
15 14 15 1
16 8 16 2
17 10 17 2
18 10 18 2
19 11 19 2
20 19 20 1
21 20 21 2
22 21 22 1
23 22 23 2
24 11 23 1
25 19 24 1
26 24 25 1
27 24 26 1
28 24 27 1
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