ATOM 12
1 C8y C 28.0396 -19.5461
2 C8x C 26.8156 -18.8531
3 C2b C 29.2412 -18.8309
4 C8x C 28.0558 -20.9488
5 C8x C 25.6084 -19.5744
6 C2b C 30.4592 -19.5240
7 C8x C 26.8483 -21.6641
8 C8y C 25.6247 -20.9769
9 C4a C 31.6666 -18.8086
10 O2a O 24.4230 -21.6924
11 C1a C 23.1994 -21.0051
12 O4a O 32.8753 -19.4887
BOND 12
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 3 6 2
6 4 7 1
7 5 8 1
8 6 9 1
9 8 10 1
10 10 11 1
11 7 8 2
12 9 12 2
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