ATOM 22
1 C1x C 23.7177 -19.3260
2 C1x C 22.8758 -18.2166
3 C1x C 23.2109 -16.8601
4 N1y N 24.4717 -16.2821
5 N1y N 25.1232 -19.3512
6 C1x C 25.7250 -16.9042
7 C1x C 26.0114 -18.2727
8 C1a C 25.8012 -20.5757
9 C8y C 24.4934 -14.9075
10 N4y N 25.6391 -14.1023
11 C8y C 25.2275 -12.7639
12 C8y C 23.8273 -12.7418
13 N5x N 23.3737 -14.0665
14 C8x C 25.9464 -11.5628
15 C8x C 25.2658 -10.2698
16 C8x C 23.8656 -10.3177
17 C8x C 23.1467 -11.5186
18 C1b C 27.0388 -14.1023
19 C1b C 27.7476 -12.8758
20 O2a O 29.1132 -12.8764
21 C1b C 29.8130 -11.6656
22 C1a C 31.2126 -11.6662
BOND 24
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 1
8 5 8 1
9 4 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 9 13 2
15 11 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 12 17 2
20 10 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
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