ATOM 12
1 C8y C 27.8962 -20.4346
2 C8x C 26.7078 -19.7547
3 C8x C 29.0788 -19.7547
4 S4a S 27.8962 -21.8058
5 C8x C 26.7078 -18.3836
6 C8x C 29.0788 -18.3836
7 O1d O 27.9141 -23.4674
8 O1d O 26.7136 -22.4856
9 O1d O 29.2896 -22.3488
10 C8y C 27.8962 -17.7038
11 C4a C 27.8962 -16.3384
12 O4a O 29.1464 -15.6169
BOND 12
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 3 6 1
6 4 7 1
7 4 8 2
8 4 9 2
9 5 10 1
10 10 11 1
11 6 10 2
12 11 12 2
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