ATOM 13
1 S2a S 22.0876 -18.5935
2 C1b C 23.2982 -17.8945
3 C1b C 24.5090 -18.5935
4 C1d C 25.7197 -17.8945
5 C1b C 26.9304 -18.5935
6 C6a C 28.1412 -17.8945
7 C1a C 20.8768 -17.8945
8 O6a O 29.3699 -18.6042
9 O6a O 28.1413 -16.4950
10 C6a C 25.7197 -16.4967
11 O1a O 24.5091 -17.1956
12 O6a O 26.9317 -15.7969
13 O6a O 24.5088 -15.7976
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 4 11 1
11 10 12 2
12 10 13 1
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