ATOM 12
1 C1a C 21.9841 -20.6151
2 C1b C 23.1968 -19.9100
3 O7a O 24.4024 -20.6080
4 C7a C 25.6149 -19.9031
5 C1b C 26.8276 -20.6010
6 C1b C 28.0403 -19.8959
7 C1b C 29.2528 -20.5939
8 O6a O 25.6080 -18.5000
9 C1b C 30.4655 -19.8888
10 C1b C 31.6782 -20.5868
11 C1b C 32.8838 -19.8819
12 C1a C 34.0963 -20.5799
BOND 11
1 1 2 1
2 6 7 1
3 3 4 1
4 4 8 2
5 7 9 1
6 4 5 1
7 9 10 1
8 2 3 1
9 10 11 1
10 5 6 1
11 11 12 1
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