ATOM 24
1 N1y N 11.0083 -6.2845
2 C5a C 10.7426 -5.4995
3 N1b N 9.9336 -5.3423
4 O5a O 11.2893 -4.8792
5 C1x C 10.5301 -6.9610
6 C1x C 11.0243 -7.6269
7 C8y C 11.7993 -6.5352
8 C8y C 11.8087 -7.3588
9 C8x C 12.5262 -7.7616
10 C8x C 12.5075 -6.1142
11 C8y C 13.2281 -6.5196
12 C8y C 13.2391 -7.3453
13 C8y C 9.2224 -5.7603
14 C8x C 8.5073 -5.3539
15 C8x C 7.7961 -5.7720
16 C8x C 7.8025 -6.5969
17 N5x N 8.5202 -7.0038
18 C8x C 9.2314 -6.5857
19 C1d C 13.9375 -6.0984
20 X F 14.6458 -5.6792
21 X F 14.3417 -6.8083
22 X F 13.5167 -5.3792
23 S2a S 13.9573 -7.7512
24 C1a C 13.9649 -8.5762
BOND 26
1 10 7 1
2 11 12 1
3 3 13 1
4 1 2 1
5 1 5 1
6 5 6 1
7 6 8 1
8 7 1 1
9 13 14 2
10 14 15 1
11 15 16 2
12 16 17 1
13 17 18 2
14 18 13 1
15 2 3 1
16 11 19 1
17 2 4 2
18 19 20 1
19 7 8 2
20 19 21 1
21 8 9 1
22 19 22 1
23 9 12 2
24 12 23 1
25 11 10 2
26 23 24 1
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