ATOM 12
1 S4a S 27.0729 -17.6598
2 C8y C 28.2840 -16.9637
3 O1d O 25.7343 -18.5143
4 O1d O 25.8619 -16.9637
5 O1d O 27.0729 -19.0639
6 C8x C 29.5009 -17.6598
7 C8x C 28.2840 -15.5595
8 C8y C 30.7060 -16.9637
9 C8x C 29.5009 -14.8633
10 C8y C 30.7060 -15.5595
11 O1a O 31.9230 -17.6598
12 O1a O 31.9230 -14.8633
BOND 12
1 1 2 1
2 1 3 1
3 1 4 2
4 1 5 2
5 2 6 1
6 2 7 2
7 6 8 2
8 7 9 1
9 8 10 1
10 8 11 1
11 10 12 1
12 9 10 2
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