ATOM 28
1 C8x C 14.2100 -20.7900
2 C8y C 14.2100 -22.1900
3 C8x C 15.4224 -22.8900
4 C8y C 16.6349 -22.1900
5 C8y C 16.6349 -20.7900
6 C8x C 15.4224 -20.0900
7 C1d C 12.9976 -22.8900
8 X F 11.8021 -22.1996
9 X F 12.9975 -24.2898
10 X F 11.7851 -23.5900
11 O2a O 17.8660 -20.0790
12 C8y C 19.0712 -20.7747
13 C8x C 19.0716 -22.1896
14 C8x C 20.2842 -22.8893
15 C8y C 21.4965 -22.1889
16 C8y C 21.4960 -20.7739
17 C8x C 20.2834 -20.0743
18 C5a C 22.7024 -20.0900
19 N1b N 23.9149 -20.7900
20 S4a S 25.1273 -20.0900
21 N2b N 22.7047 -22.8860 #+
22 O3a O 24.1766 -22.0573 #-
23 O3a O 22.7053 -24.2898
24 O5a O 22.7079 -18.6903
25 C1a C 26.3418 -20.7912
26 O3c O 25.8273 -18.7376
27 X Cl 17.8660 -22.9010
28 O3c O 24.4973 -18.7376
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 2 7 1
8 7 8 1
9 7 9 1
10 7 10 1
11 5 11 1
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 12 17 1
19 16 18 1
20 18 19 1
21 19 20 1
22 15 21 1
23 21 22 1
24 21 23 2
25 18 24 2
26 20 25 1
27 20 26 2
28 4 27 1
29 20 28 2
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