ATOM 15
1 C8x C 28.6300 -21.0000
2 C8x C 27.3700 -18.9000
3 C8x C 27.4400 -21.7000
4 C8x C 26.1800 -19.6000
5 C8y C 28.6300 -19.6000
6 C8y C 26.1800 -21.0000
7 N1b N 29.8200 -18.8300
8 O2a O 24.9900 -21.7000
9 C1b C 23.7300 -21.0700
10 C1a C 22.6100 -21.7000
11 C5a C 31.0800 -19.5300
12 C1c C 32.2700 -18.8300
13 O5a O 31.0800 -20.9300
14 O1a O 33.4600 -19.5300
15 C1a C 32.2700 -17.4300
BOND 15
1 1 3 2
2 1 5 1
3 2 4 1
4 2 5 2
5 3 6 1
6 4 6 2
7 5 7 1
8 6 8 1
9 8 9 1
10 9 10 1
11 7 11 1
12 11 12 1
13 11 13 2
14 12 14 1
15 12 15 1
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