ATOM 26
1 C1x C 22.5772 -17.0064
2 C1x C 22.5772 -18.4066
3 C1x C 23.7939 -19.1104
4 C1x C 23.7939 -16.3098
5 C2y C 25.0034 -17.0064
6 C2y C 24.9975 -18.4100
7 C5x C 26.3312 -18.8544
8 N1y N 27.1565 -17.7208
9 C5x C 26.3405 -16.5803
10 O5x O 26.7765 -15.2501
11 O5x O 26.7562 -20.1813
12 C8y C 28.5569 -17.7266
13 C8x C 29.2491 -18.9437
14 C8x C 30.6595 -16.5223
15 C8y C 29.2591 -16.5163
16 C8y C 31.3510 -17.7387
17 C8y C 30.6490 -18.9481
18 N1y N 31.3392 -20.1571
19 C5x C 32.7386 -20.1640
20 C1x C 33.4475 -18.9618
21 O2x O 32.7504 -17.6755
22 O5x O 33.4362 -21.3810
23 C1b C 30.6367 -21.3673
24 C3b C 31.3274 -22.5845
25 C3a C 32.0252 -23.8014
26 X F 28.5582 -15.3012
BOND 29
1 2 3 1
2 3 6 1
3 5 4 1
4 12 13 2
5 13 17 1
6 16 14 1
7 14 15 2
8 15 12 1
9 5 6 2
10 6 7 1
11 7 8 1
12 8 9 1
13 9 5 1
14 4 1 1
15 16 17 2
16 17 18 1
17 18 19 1
18 19 20 1
19 20 21 1
20 21 16 1
21 9 10 2
22 19 22 2
23 18 23 1
24 7 11 2
25 23 24 1
26 1 2 1
27 24 25 3
28 8 12 1
29 15 26 1
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