ATOM 15
1 C8x C 25.3400 -17.9900
2 C8y C 25.3400 -19.3900
3 C8x C 26.5300 -20.0900
4 C8x C 27.7200 -19.3900
5 C8y C 27.7200 -17.9900
6 C8y C 26.5300 -17.2900
7 X Cl 24.0800 -20.0900
8 C1a C 26.5300 -15.8900
9 O2a O 28.9800 -17.2900
10 C1b C 30.1700 -17.9900
11 C1b C 31.4300 -17.2900
12 C1b C 32.6307 -18.0099
13 C6a C 33.8546 -17.3299
14 O6a O 35.0874 -18.0687
15 O6a O 33.8776 -15.9600
BOND 15
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 2 7 1
8 6 8 1
9 5 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 13 15 2
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