ATOM 12
1 C1y C 27.6320 -16.3250
2 O2x O 29.0331 -16.3250
3 C1y C 30.0258 -17.3105
4 O2x O 30.0258 -18.7116
5 C1y C 29.0331 -19.7043
6 O2x O 27.6320 -19.7043
7 C1y C 26.6463 -18.7116
8 O2x O 26.6463 -17.3105
9 C1a C 27.0936 -15.0253
10 C1a C 31.3291 -16.7681
11 C1a C 25.3797 -19.2334
12 C1a C 29.5596 -20.9740
BOND 12
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 1 1
9 1 9 1
10 3 10 1
11 7 11 1
12 5 12 1
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