ATOM 9
1 C1a C 14.4200 -15.9600
2 S2a S 15.6100 -16.6600
3 C1b C 16.8700 -15.9600
4 C1b C 18.0600 -16.6600
5 C1b C 19.2500 -15.9600
6 C2c C 20.5100 -16.6600
7 N2b N 21.7000 -15.9600
8 S1a S 20.5100 -18.0600
9 O1b O 21.7000 -14.3500
BOND 8
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 2
7 6 8 1
8 7 9 1
BRACKET 1 16.7300 -17.3600 16.7300 -15.4700
1 17.2200 -15.4700 17.2200 -17.3600
1 n
ORIGINAL 1 3
REPEAT 1
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