ATOM 13
1 C8x C 18.5500 -21.2800
2 C8y C 18.5500 -22.6800
3 C8y C 19.7624 -23.3800
4 C8x C 20.9749 -22.6800
5 C8y C 20.9749 -21.2800
6 C8x C 19.7624 -20.5800
7 C1c C 22.2124 -20.5800
8 C1b C 23.4249 -21.2800
9 O1a O 24.6373 -20.5800
10 O1a O 22.2186 -19.1803
11 O2a O 19.7624 -24.7798
12 C1a C 18.5332 -25.4897
13 O1a O 17.3376 -23.3800
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 5 7 1
8 7 8 1
9 8 9 1
10 7 10 1
11 3 11 1
12 11 12 1
13 2 13 1
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