ATOM 13
1 C8y C 27.6054 -18.3416
2 C8x C 26.3205 -17.6503
3 C8x C 27.5501 -19.7422
4 C1b C 28.7325 -17.6273
5 C8x C 25.1072 -18.3606
6 C8y C 26.3500 -20.4515
7 C1b C 29.9545 -18.3075
8 C8y C 25.1200 -19.7692
9 C1b C 31.1597 -17.5951
10 O1a O 23.9148 -20.4815
11 O2a O 26.2991 -21.8470
12 C1a C 27.5871 -22.5281
13 O1a O 32.3611 -18.2722
BOND 13
1 1 3 2
2 1 4 1
3 2 5 2
4 3 6 1
5 4 7 1
6 5 8 1
7 7 9 1
8 8 10 1
9 6 8 2
10 6 11 1
11 1 2 1
12 11 12 1
13 9 13 1
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