ATOM 22
1 C8x C 34.6500 -17.0800
2 C8x C 34.6500 -18.5500
3 C8x C 33.4600 -19.2500
4 C8y C 32.2000 -18.5500
5 C8x C 32.2000 -17.0800
6 C8x C 33.4600 -16.3800
7 C1b C 31.0100 -19.1800
8 C1b C 29.8200 -18.4800
9 C1b C 28.6300 -19.1800
10 N1b N 27.3700 -18.4800
11 C8y C 26.1800 -19.1800
12 C8x C 26.1800 -20.5800
13 C8x C 24.9900 -21.2800
14 C8y C 23.7300 -20.5800
15 C8x C 23.7300 -19.1800
16 C8y C 24.9900 -18.4800
17 C6a C 24.9900 -17.0800
18 O6a O 23.8000 -16.3800
19 O6a O 26.1800 -16.3800
20 N2b N 22.5400 -21.2800
21 O3a O 22.5400 -22.6800
22 O3a O 21.3500 -20.5800
BOND 23
1 10 11 1
2 5 6 2
3 6 1 1
4 4 7 1
5 1 2 2
6 11 12 2
7 12 13 1
8 13 14 2
9 14 15 1
10 15 16 2
11 16 11 1
12 7 8 1
13 16 17 1
14 2 3 1
15 17 18 2
16 8 9 1
17 17 19 1
18 3 4 2
19 14 20 1
20 9 10 1
21 20 21 2
22 4 5 1
23 20 22 2
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