ATOM 13
1 C8x C 19.6700 -25.4800
2 C8y C 19.6700 -26.8800
3 C8y C 20.8824 -27.5800
4 C8x C 22.0949 -26.8800
5 C8y C 22.0949 -25.4800
6 C8y C 20.8824 -24.7800
7 C1a C 20.8824 -23.3802
8 O2a O 23.3260 -24.7690
9 C1a C 24.5312 -25.4647
10 O2a O 20.8824 -28.9798
11 C1a C 19.6532 -29.6897
12 O2a O 18.4576 -27.5800
13 C1a C 17.2621 -26.8896
BOND 13
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 6 7 1
8 5 8 1
9 8 9 1
10 3 10 1
11 10 11 1
12 2 12 1
13 12 13 1
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