ATOM 22
1 C8y C 28.7778 -19.3745
2 C8y C 28.7710 -20.7698
3 C8y C 29.9923 -18.6820
4 N5x N 27.5668 -18.6683
5 O2x O 27.5565 -21.4692
6 C8x C 29.9753 -21.4760
7 C8y C 31.1966 -19.3847
8 C6a C 29.9855 -17.2764
9 C8y C 26.3488 -19.3642
10 C8y C 26.3454 -20.7630
11 C8y C 31.1898 -20.7834
12 N1a N 32.4077 -18.6785
13 O6a O 31.2000 -16.5702
14 O6a O 28.7676 -16.5804
15 C8y C 25.1377 -18.6615
16 C8x C 25.1377 -21.4657
17 O5x O 32.4009 -21.4828
18 C8x C 23.9267 -19.3642
19 C6a C 25.1309 -17.2593
20 C8x C 23.9267 -20.7630
21 O6a O 26.3386 -16.5531
22 O6a O 23.9130 -16.5667
BOND 24
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 2
7 3 8 1
8 4 9 1
9 5 10 1
10 6 11 1
11 7 12 1
12 8 13 1
13 8 14 2
14 9 15 2
15 10 16 2
16 11 17 2
17 15 18 1
18 15 19 1
19 16 20 1
20 19 21 1
21 19 22 2
22 7 11 1
23 9 10 1
24 18 20 2
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