ATOM 22
1 C8y C 30.6600 -20.0900
2 C8x C 30.6600 -18.6900
3 C8x C 29.4700 -17.9900
4 C8y C 28.2800 -18.6900
5 C8y C 28.2800 -20.0900
6 O7x O 29.4700 -20.7900
7 C8y C 27.0200 -17.9900
8 C8y C 25.8300 -18.6900
9 C8y C 25.8300 -20.0900
10 C8y C 27.0200 -20.7900
11 C8x C 24.5000 -18.2700
12 C8x C 23.6600 -19.3900
13 O2x O 24.5000 -20.5100
14 O6a O 31.8500 -20.7900
15 O2a O 27.0200 -16.5900
16 C1a C 25.8300 -15.8900
17 O2a O 27.0200 -22.1900
18 C1b C 28.2353 -22.8851
19 C2b C 29.4237 -22.1922
20 C2c C 30.6202 -22.8764
21 C1a C 31.8013 -22.1880
22 C1a C 30.6263 -24.2895
BOND 24
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 2
12 8 11 1
13 11 12 2
14 12 13 1
15 9 13 1
16 1 14 2
17 7 15 1
18 15 16 1
19 10 17 1
20 17 18 1
21 18 19 1
22 19 20 2
23 20 21 1
24 20 22 1
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