ATOM 20
1 C8y C 27.5800 -17.0800
2 C8y C 28.7700 -17.7800
3 C8y C 26.3900 -17.7800
4 O2a O 27.5800 -15.6800
5 C8y C 28.7700 -19.1100
6 O7x O 29.9600 -17.0100
7 C8y C 26.3900 -19.1800
8 O2x O 24.9900 -17.3600
9 C1b C 28.7700 -14.9800
10 C8x C 27.5800 -19.8800
11 C8x C 30.0300 -19.8100
12 C8y C 31.2200 -17.7100
13 C8x C 25.0600 -19.6000
14 C8x C 24.2200 -18.4800
15 C2b C 29.9600 -15.6100
16 C8x C 31.2200 -19.1100
17 O6a O 32.4100 -17.0100
18 C2c C 31.1500 -14.9100
19 C1a C 32.4100 -15.6100
20 C1a C 31.1500 -13.5100
BOND 22
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 6 12 1
12 7 13 1
13 8 14 1
14 9 15 1
15 11 16 2
16 12 17 2
17 15 18 2
18 18 19 1
19 18 20 1
20 7 10 2
21 12 16 1
22 13 14 2
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