ATOM 15
1 C1y C 31.4885 -15.7732
2 C8y C 32.6877 -15.0595
3 C5x C 31.0965 -17.1186
4 N1x N 30.3362 -14.9835
5 C8x C 32.6934 -13.6616
6 C8x C 33.9043 -15.7615
7 N1y N 29.6928 -17.1596
8 O5x O 31.9506 -18.2300
9 C5x C 29.2247 -15.8317
10 C8x C 33.9043 -12.9654
11 C8x C 35.1094 -15.0595
12 C1b C 28.8912 -18.3060
13 O5x O 27.8794 -15.4339
14 C8x C 35.1151 -13.6616
15 C1a C 27.4875 -18.3585
BOND 16
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 2
8 4 9 1
9 5 10 2
10 6 11 1
11 7 12 1
12 9 13 2
13 10 14 1
14 12 15 1
15 7 9 1
16 11 14 2
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