ATOM 13
1 S2a S 22.0876 -18.5946
2 C1b C 23.2982 -17.8956
3 C1b C 24.5091 -18.5946
4 C1c C 25.7197 -17.8956
5 C1c C 26.9305 -18.5946
6 C6a C 28.1413 -17.8956
7 C1a C 20.8768 -17.8956
8 O6a O 29.3703 -18.6054
9 O6a O 28.1414 -16.4962
10 C6a C 25.7197 -16.4977
11 O6a O 26.9318 -15.7979
12 O6a O 24.5092 -15.7987
13 O1a O 26.9301 -20.0199
BOND 12
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 7 1
7 6 8 1
8 6 9 2
9 4 10 1
10 10 11 2
11 10 12 1
12 5 13 1
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