ATOM 27
1 C8y C 23.1818 -20.9421
2 N5x N 23.1747 -19.5412
3 C8x C 21.9570 -18.8433
4 C8y C 20.7463 -19.5534
5 C8x C 20.7534 -20.9543
6 C8x C 21.9710 -21.6451
7 C8x C 25.6035 -19.5412
8 C8y C 25.6035 -20.9421
9 C8x C 26.8207 -21.6390
10 C8x C 28.0306 -20.9421
11 C8y C 28.0306 -19.5412
12 C8x C 26.8207 -18.8372
13 O2a O 29.2362 -18.8372
14 C1c C 30.4400 -19.5341
15 C7a C 31.6509 -18.8301
16 O7a O 32.8617 -19.5270
17 C1b C 34.0726 -18.8232
18 C1b C 35.2836 -19.5201
19 C1b C 36.4943 -18.8161
20 C1a C 37.7053 -19.5130
21 O6a O 31.6479 -17.4292
22 O2a O 24.3926 -21.6390
23 C1d C 19.5357 -18.8554
24 C1a C 30.4430 -20.9352
25 X F 19.5286 -17.4546
26 X F 18.3249 -19.5656
27 X F 18.3171 -18.1542
BOND 28
1 13 14 1
2 1 2 2
3 14 15 1
4 2 3 1
5 15 16 1
6 3 4 2
7 16 17 1
8 4 5 1
9 17 18 1
10 5 6 2
11 18 19 1
12 7 8 2
13 19 20 1
14 8 9 1
15 15 21 2
16 9 10 2
17 8 22 1
18 22 1 1
19 10 11 1
20 4 23 1
21 11 12 2
22 14 24 1
23 12 7 1
24 23 25 1
25 6 1 1
26 23 26 1
27 11 13 1
28 23 27 1
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