ATOM 18
1 C1y C 25.9700 -21.7000
2 C2y C 26.8100 -22.8200
3 C1x C 28.2800 -22.8200
4 C8y C 29.1200 -21.7000
5 C1z C 26.2500 -20.4400
6 C8y C 28.8400 -20.4400
7 C5x C 27.5100 -19.7400
8 C8y C 29.8900 -19.5300
9 C8x C 31.0800 -20.5100
10 O2x O 30.5900 -21.7000
11 C1x C 24.3600 -21.7000
12 C1x C 24.0800 -20.4400
13 C1y C 25.2000 -19.6000
14 O5x O 27.5100 -18.3400
15 C2a C 26.2500 -24.0800
16 O1a O 26.2500 -18.9000
17 C1a C 25.2000 -18.2000
18 C1a C 29.8900 -18.2000
BOND 20
1 3 4 1
2 1 5 1
3 4 6 2
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 6 8 1
9 8 9 2
10 9 10 1
11 4 10 1
12 1 11 1
13 11 12 1
14 12 13 1
15 5 13 1
16 7 14 2
17 2 15 2
18 5 16 1 #Down
19 13 17 1 #Down
20 8 18 1
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