ATOM 9
1 O1a O 17.1250 -14.8048
2 C1b C 18.3365 -14.1034
3 C1d C 19.5479 -14.7976
4 N2b N 20.7594 -14.0962 #+
5 O3a O 21.9709 -14.7905 #-
6 C1b C 18.3295 -15.4919
7 X Br 20.7594 -15.4990
8 O1a O 18.3224 -16.8946
9 O3a O 20.7563 -12.6935
BOND 8
1 4 5 1
2 2 3 1
3 3 6 1
4 1 2 1
5 3 7 1
6 3 4 1
7 6 8 1
8 4 9 2
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