ATOM 22
1 C2y C 27.9211 -17.6186
2 C2y C 29.3100 -17.6186
3 C8y C 27.1100 -18.7391
4 C1x C 27.4835 -16.2882
5 C8y C 30.1211 -18.7391
6 C1x C 29.7418 -16.2882
7 C8x C 25.7154 -18.7274
8 C8x C 27.7869 -19.9470
9 C1x C 28.6156 -15.4711
10 C8x C 29.4501 -19.9528
11 C8x C 31.5216 -18.7857
12 C8x C 25.0092 -19.9237
13 C8x C 27.0867 -21.1433
14 C8x C 30.1678 -21.1433
15 C8x C 32.2278 -19.9061
16 C8y C 25.6978 -21.1316
17 C8y C 31.5509 -21.1200
18 S4a S 24.9918 -22.3279
19 X F 32.2686 -22.3103
20 C1a C 24.0405 -23.5826
21 O3c O 26.1471 -23.1097
22 O3c O 23.8305 -21.4758
BOND 24
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 5 10 2
10 5 11 1
11 7 12 2
12 8 13 1
13 10 14 1
14 11 15 2
15 12 16 1
16 14 17 2
17 16 18 1
18 17 19 1
19 18 20 1
20 18 21 2
21 18 22 2
22 6 9 1
23 13 16 2
24 15 17 1
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