ATOM 9
1 C1y C 29.1088 -15.9444
2 O2x O 30.5076 -15.9444
3 C1y C 30.9398 -14.6140
4 O2x O 29.8082 -13.7918
5 C1x C 28.6766 -14.6140
6 C1b C 32.2582 -14.1856
7 C1b C 28.2866 -17.0760
8 X I 33.3016 -15.1250
9 O1a O 26.8773 -17.0680
BOND 9
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 3 6 1
7 1 7 1
8 6 8 1
9 7 9 1
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