ATOM 20
1 C2y C 24.3635 -20.3088
2 N1y N 25.6186 -19.6933
3 C8y C 26.8903 -20.2847
4 C8y C 27.2167 -21.6381
5 C2y C 24.0679 -21.6885
6 C2x C 26.3624 -22.7527
7 C2x C 24.9591 -22.7712
8 C2x C 23.3233 -19.3691
9 C5x C 21.9893 -19.8000
10 C5x C 21.6937 -21.1797
11 C2x C 22.7339 -22.1194
12 C8x C 28.5710 -22.0009
13 C8x C 29.5622 -21.0096
14 C8x C 29.1994 -19.6553
15 C8x C 27.8452 -19.2926
16 C5a C 25.6743 -18.2925
17 O5a O 24.4354 -17.5941
18 N1a N 26.8645 -17.5888
19 O5x O 20.3884 -21.6011
20 O5x O 20.9471 -18.8582
BOND 22
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 2
8 1 8 2
9 8 9 1
10 9 10 1
11 10 11 1
12 5 11 2
13 4 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 3 2
18 2 16 1
19 16 17 2
20 16 18 1
21 10 19 2
22 9 20 2
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