ATOM 17
1 C8x C 25.9700 -20.4400
2 C8y C 25.9700 -21.8400
3 C8x C 27.1600 -22.5400
4 C8y C 28.4200 -21.8400
5 C8y C 28.4200 -20.4400
6 C8x C 27.1600 -19.7400
7 O2a O 24.7800 -22.5400
8 C1a C 23.5900 -21.8400
9 C2y C 29.7500 -22.2600
10 C2x C 30.5200 -21.1400
11 C1z C 29.7500 -20.0200
12 O2a O 30.2400 -23.5900
13 C1a C 31.6400 -23.5900
14 C5a C 29.7401 -18.6200
15 O1a O 31.0855 -19.6000
16 C1a C 28.5302 -17.9329
17 O5a O 30.9549 -17.9071
BOND 18
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 7 8 1
9 4 9 1
10 9 10 2
11 10 11 1
12 5 11 1
13 9 12 1
14 12 13 1
15 11 14 1
16 11 15 1
17 14 16 1
18 14 17 2
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