ATOM 17
1 C8x C 21.8631 -17.5987
2 C8x C 21.8631 -18.9999
3 C8x C 23.0804 -19.7040
4 C8y C 23.0804 -16.9017
5 C8y C 24.2836 -17.5987
6 C8y C 24.2776 -18.9999
7 C2b C 25.4889 -19.7091
8 C2b C 26.7062 -19.0102
9 O1a O 25.5009 -16.9069
10 C6a C 23.0821 -15.5007
11 O6a O 24.2903 -14.7981
12 O6a O 21.8687 -14.7950
13 C5a C 27.9553 -19.7351
14 C6a C 29.1480 -19.0498
15 O6a O 30.3337 -19.7378
16 O5a O 27.9523 -21.1398
17 O6a O 29.1513 -17.6403
BOND 17
1 6 7 1
2 7 8 2
3 9 5 1
4 4 10 1
5 1 2 2
6 10 11 2
7 2 3 1
8 10 12 1
9 3 6 2
10 5 4 2
11 4 1 1
12 5 6 1
13 8 13 1
14 13 14 1
15 14 15 1
16 13 16 2
17 14 17 2
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