ATOM 17
1 C1a C 20.8055 -18.1460
2 C8x C 31.6666 -20.2482
3 C8x C 32.9278 -18.2161
4 C8x C 30.4753 -19.5474
5 C8x C 31.7366 -17.4453
6 C1b C 21.9967 -17.4453
7 C1b C 23.1879 -18.1460
8 C1b C 24.4492 -17.4453
9 C1b C 25.6404 -18.1460
10 C1b C 26.8316 -17.4453
11 C1b C 28.0929 -18.1460
12 C8y C 32.9278 -19.6175
13 C8y C 30.4753 -18.1460
14 C6a C 34.1190 -20.3182
15 O6a O 35.3103 -19.6175
16 O6a O 34.1190 -21.7196
17 O2a O 29.2841 -17.4453
BOND 17
1 1 6 1
2 2 4 2
3 2 12 1
4 3 5 1
5 3 12 2
6 4 13 1
7 5 13 2
8 6 7 1
9 7 8 1
10 8 9 1
11 9 10 1
12 10 11 1
13 11 17 1
14 12 14 1
15 13 17 1
16 14 15 1
17 14 16 2
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