ATOM 12
1 C8y C 22.3300 -6.5800
2 C5a C 23.5200 -5.8800
3 C1b C 24.7100 -6.5800
4 X Cl 25.9700 -5.8800
5 O2x O 21.2100 -5.7400
6 C8y C 20.0900 -6.5800
7 C8x C 20.5800 -7.9100
8 C8x C 21.9100 -7.9100
9 N2b N 18.9000 -5.8800 #+
10 O3a O 17.5700 -6.7200 #-
11 O3a O 18.9000 -4.5500
12 O5a O 23.5200 -4.4800
BOND 12
1 1 2 1
2 2 3 1
3 3 4 1
4 1 5 1
5 5 6 1
6 6 7 2
7 7 8 1
8 1 8 2
9 6 9 1
10 9 10 1
11 9 11 2
12 2 12 2
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