ATOM 13
1 C1x C 26.8100 -25.2000
2 C1y C 28.2100 -25.2000
3 C1y C 28.6300 -23.8700
4 C2y C 27.5100 -23.0300
5 C2y C 26.3900 -23.8700
6 C1b C 27.5100 -21.6300
7 O1a O 26.3200 -20.9300
8 C1b C 25.2000 -23.1700
9 O1a O 24.0100 -23.8700
10 O1a O 29.4000 -25.9000
11 C1b C 29.8200 -23.1700
12 C1b C 31.0100 -23.8700
13 O1a O 32.2000 -23.1700
BOND 13
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 1 5 1
6 4 6 1
7 6 7 1
8 8 5 1
9 8 9 1
10 2 10 1 #Down
11 11 12 1
12 3 11 1 #Up
13 12 13 1
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