ATOM 16
1 C1x C 25.4620 -19.9202
2 C1y C 24.4860 -18.3359
3 C1y C 24.2762 -19.2217
4 N1y N 23.6915 -17.5455
5 C1x C 23.5354 -18.8522
6 C1x C 23.0677 -19.8001
7 C1a C 23.6886 -16.3048
8 C8y C 25.6666 -18.3359
9 C8y C 26.5142 -19.5620
10 O2x O 28.0729 -19.5512
11 C8y C 28.7694 -18.1661
12 C8y C 27.9217 -16.8623
13 C8y C 26.3701 -16.8802
14 O5x O 25.5936 -15.5994
15 C1a C 28.6908 -15.5217
16 C1a C 30.3191 -18.2210
BOND 18
1 4 7 1
2 9 1 1
3 8 2 1
4 1 3 1
5 2 4 1
6 2 5 1
7 3 6 1
8 8 9 2
9 9 10 1
10 10 11 1
11 11 12 2
12 12 13 1
13 13 8 1
14 3 4 1
15 13 14 2
16 5 6 1
17 12 15 1
18 11 16 1
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