ATOM 17
1 C8y C 30.6581 -25.4268
2 C8y C 30.6663 -26.8293
3 C1x C 32.0077 -27.2516
4 C1x C 32.8274 -26.1122
5 C1x C 31.9886 -24.9849
6 C8y C 29.4667 -24.7089
7 N4x N 29.4508 -27.5204
8 C8y C 28.2518 -26.7939
9 N4y N 28.2845 -25.3920
10 O5x O 29.4992 -23.3070
11 O5x O 27.0271 -27.4836
12 C1y C 27.0782 -24.6870
13 C1x C 27.0926 -23.2848
14 C1x C 25.8844 -22.5678
15 C1x C 24.6621 -23.2601
16 C1x C 24.6477 -24.6623
17 C1x C 25.8558 -25.3722
BOND 19
1 1 6 1
2 6 9 1
3 2 7 1
4 7 8 1
5 8 9 1
6 6 10 2
7 8 11 2
8 1 2 2
9 2 3 1
10 3 4 1
11 4 5 1
12 5 1 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 12 1
19 9 12 1
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