ATOM 29
1 C8x C 7.8400 -17.5700
2 C8y C 7.8400 -18.9700
3 C8x C 9.0524 -19.6700
4 C8x C 10.2649 -18.9700
5 C8y C 10.2649 -17.5700
6 C8x C 9.0524 -16.8700
7 C8x C 12.6897 -18.9700
8 C8y C 12.6897 -17.5700
9 O2a O 11.4773 -16.8700
10 C8x C 13.9022 -19.6700
11 C8y C 15.1146 -18.9700
12 C8x C 15.1146 -17.5700
13 C8y C 13.9022 -16.8700
14 S2a S 6.6276 -19.6700
15 N4y N 16.3311 -19.6723
16 C1d C 5.4321 -18.9796
17 X F 4.2196 -18.2796
18 X F 6.1429 -17.7479
19 X F 4.7435 -20.1727
20 C1a C 13.9022 -15.4703
21 C8y C 16.3310 -21.0698
22 N4x N 17.5434 -21.7699
23 C8y C 18.7559 -21.0699
24 N4y N 18.7560 -19.6724
25 C8y C 17.5435 -18.9724
26 O5x O 17.5435 -17.5702
27 O5x O 15.1028 -21.7790
28 O5x O 19.9714 -21.7718
29 C1a C 19.9725 -18.9701
BOND 31
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 7 8 1
8 8 9 1
9 5 9 1
10 7 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 8 13 2
15 2 14 1
16 11 15 1
17 14 16 1
18 16 17 1
19 16 18 1
20 16 19 1
21 13 20 1
22 15 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 24 25 1
27 15 25 1
28 25 26 2
29 21 27 2
30 23 28 2
31 24 29 1
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