ATOM 22
1 C8y C 19.1800 -24.5700
2 C8y C 19.1800 -25.9700
3 C8y C 20.3924 -26.6700
4 C8x C 21.6049 -25.9700
5 C8y C 21.6049 -24.5700
6 C8x C 20.3924 -23.8700
7 C7a C 22.8360 -23.8590
8 O1a O 17.9676 -26.6700
9 O2a O 17.9676 -23.8700
10 O2a O 20.3924 -28.0698
11 C1a C 19.1632 -28.7797
12 C1a C 16.7721 -24.5604
13 O7a O 24.0412 -24.5547
14 O6a O 22.8357 -22.4701
15 C1b C 25.2235 -23.8719
16 C1b C 26.4175 -24.5612
17 C1b C 27.6054 -23.8752
18 C1b C 28.7965 -24.5629
19 N1b N 29.9859 -23.8761
20 C2c C 31.1762 -24.5634
21 N1a N 32.3661 -23.8763
22 N2a N 31.1764 -25.9698
BOND 22
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 5 7 1
8 2 8 1
9 1 9 1
10 3 10 1
11 10 11 1
12 9 12 1
13 7 13 1
14 7 14 2
15 13 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 20 22 2
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