ATOM 17
1 C8x C 22.6064 -16.6932
2 C8x C 22.6064 -18.0912
3 C8y C 23.8200 -18.7902
4 C8x C 23.8200 -15.9942
5 C8y C 25.0265 -16.6932
6 N4y N 25.0904 -18.0912
7 C1x C 26.2280 -18.7953
8 C1y C 27.4418 -18.1015
9 C1x C 27.4477 -16.7036
10 C1y C 26.2401 -15.9995
11 C1x C 27.4426 -15.2881
12 O5x O 23.8066 -20.1881
13 N1y N 28.6520 -15.9829
14 C1y C 28.6430 -17.3922
15 C1x C 29.9807 -17.8363
16 C1x C 30.8162 -16.7014
17 C1x C 29.9952 -15.5559
BOND 20
1 7 8 1
2 8 9 1 #Up
3 10 9 1 #Up
4 10 5 1
5 10 11 1
6 8 14 1
7 11 13 1
8 1 2 2
9 3 12 2
10 2 3 1
11 3 6 1
12 5 4 2
13 4 1 1
14 5 6 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 13 1
20 6 7 1
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