ATOM 12
1 C8y C 28.0700 -19.5300
2 C8x C 28.0700 -20.9300
3 C8x C 26.8800 -21.6300
4 C8y C 25.6200 -20.9300
5 C8y C 25.6200 -19.5300
6 C8x C 26.8800 -18.8300
7 O1a O 24.4300 -18.8300
8 O1a O 24.4300 -21.6300
9 C2b C 29.2600 -18.8300
10 C2b C 30.4500 -19.5300
11 C1b C 31.6400 -18.8300
12 O1a O 32.8581 -19.5201
BOND 12
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 4 8 1
9 1 9 1
10 9 10 2
11 10 11 1
12 11 12 1
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