ATOM 15
1 C8y C 27.4400 -18.9000
2 C8y C 27.4400 -20.3000
3 N4x N 28.6300 -18.1300
4 C8x C 26.1800 -18.2000
5 C8y C 28.6300 -21.0000
6 C8x C 26.2500 -21.0000
7 C8y C 29.8200 -18.8300
8 C8x C 24.9900 -18.9000
9 C8x C 29.8200 -20.3000
10 O5x O 28.6300 -22.4000
11 C8y C 24.9900 -20.3000
12 C6a C 31.0800 -18.1300
13 O1a O 23.8000 -21.0000
14 O6a O 32.2700 -18.8300
15 O6a O 31.0800 -16.7300
BOND 16
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 2
8 5 9 1
9 5 10 2
10 6 11 2
11 7 12 1
12 11 13 1
13 12 14 1
14 12 15 2
15 7 9 2
16 8 11 1
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