ATOM 28
1 N1y N 26.8878 -23.8219
2 C1y C 26.8878 -22.4537
3 C2y C 28.0697 -24.5379
4 C5x C 25.5139 -23.8219
5 C1y C 25.5139 -22.4537
6 S2x S 28.0697 -21.7667
7 C2y C 29.2690 -23.8336
8 C6a C 28.0580 -25.9119
9 O5x O 24.5418 -24.7883
10 N1b N 23.3773 -21.8775
11 C1x C 29.2690 -22.4537
12 C1b C 30.4566 -24.5205
13 O6a O 26.8645 -26.5756
14 O6a O 29.2398 -26.5931
15 C5a C 22.1955 -21.1963
16 O7a O 31.6501 -23.8277
17 C1b C 21.0079 -21.8775
18 O5a O 22.1955 -19.8223
19 C7a C 32.8378 -24.5205
20 C1b C 19.8202 -21.1963
21 C1a C 34.0137 -23.8277
22 O6a O 32.8435 -25.8886
23 C1b C 18.6384 -21.8775
24 C5a C 17.4508 -21.1963
25 C6a C 16.2574 -21.8775
26 O5a O 17.4508 -19.8223
27 O6a O 15.0756 -21.1905
28 O6a O 16.2631 -23.2514
BOND 29
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 2
9 5 10 1 #Up
10 6 11 1
11 7 12 1
12 8 13 1
13 8 14 2
14 10 15 1
15 12 16 1
16 15 17 1
17 15 18 2
18 16 19 1
19 17 20 1
20 19 21 1
21 19 22 2
22 20 23 1
23 23 24 1
24 24 25 1
25 24 26 2
26 25 27 1
27 25 28 2
28 4 5 1
29 7 11 1
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