ATOM 20
1 C8y C 31.1814 -19.7449
2 C8y C 31.1814 -18.3473
3 C8y C 29.9760 -20.4437
4 C1y C 32.5149 -20.1758
5 C8x C 29.9760 -17.6427
6 C7x C 32.5149 -17.9106
7 C8y C 28.7589 -19.7449
8 O2a O 29.9818 -21.8413
9 O7x O 33.3418 -19.0402
10 O1a O 32.9575 -21.5093
11 C8y C 28.7589 -18.3473
12 O6a O 32.9517 -16.5770
13 C1a C 27.5478 -20.4437
14 C1a C 31.1872 -22.5458
15 O2a O 27.5535 -17.6427
16 C1b C 26.3424 -18.3356
17 C2b C 25.1310 -17.6311
18 C2c C 23.9199 -18.3299
19 C1a C 22.7086 -17.6252
20 C1a C 23.9199 -19.7332
BOND 21
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 4 10 1
10 5 11 2
11 6 12 2
12 7 13 1
13 8 14 1
14 11 15 1
15 15 16 1
16 16 17 1
17 17 18 2
18 18 19 1
19 18 20 1
20 6 9 1
21 7 11 1
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