ATOM 12
1 C8x C 17.3992 -16.4908
2 C8y C 17.3992 -17.8884
3 C8x C 18.5871 -18.5871
4 C8y C 19.8449 -17.8884
5 C8x C 19.8449 -16.4908
6 C8y C 18.5871 -15.7921
7 C5a C 18.5871 -14.3945
8 S2a S 19.8449 -13.6958
9 O5a O 17.3992 -13.6958
10 O1a O 16.2113 -18.5871
11 N1a N 21.0328 -18.5871
12 R R 21.2449 -13.6958
BOND 12
1 5 6 2
2 6 1 1
3 6 7 1
4 1 2 2
5 7 8 1
6 2 3 1
7 7 9 2
8 3 4 2
9 2 10 1
10 4 5 1
11 4 11 1
12 8 12 1
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