ATOM 20
1 C8y C 26.7588 -22.9719
2 C8y C 26.7588 -24.3849
3 C8y C 28.1135 -22.5514
4 C8x C 25.5674 -22.2769
5 N4x N 28.1135 -24.8170
6 C8x C 25.5674 -25.0739
7 C8x C 28.8960 -23.6784
8 C1b C 28.5865 -21.2551
9 C8y C 24.3529 -22.9719
10 C8x C 24.3529 -24.4259
11 C1b C 29.9471 -20.9864
12 C1b C 23.1267 -22.2185
13 N1b N 30.4084 -19.6493
14 C1y C 21.9063 -22.9252
15 N1x N 21.8829 -24.2799
16 C1x C 20.5632 -22.4405
17 C7x C 20.5339 -24.7002
18 O7x O 19.7516 -23.5675
19 O6a O 20.0318 -26.0434
20 C1a C 31.7516 -19.3894
BOND 22
1 1 2 2
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 6 10 2
10 8 11 1
11 9 12 1
12 11 13 1
13 14 12 1 #Up
14 14 15 1
15 14 16 1
16 15 17 1
17 16 18 1
18 17 19 2
19 5 7 1
20 9 10 1
21 17 18 1
22 13 20 1
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