ATOM 21
1 C1z C 25.7351 -18.1049
2 C8y C 26.1377 -16.5996
3 C1y C 24.4748 -18.1399
4 C2x C 26.6220 -19.0325
5 C1x C 27.3629 -18.7818
6 C8y C 24.9300 -15.9169
7 C8y C 27.4039 -16.0219
8 O2x O 23.8914 -16.8622
9 C1x C 23.9614 -19.3769
10 C2x C 26.0328 -20.4096
11 C1x C 28.6173 -18.7933
12 C8y C 24.9183 -14.5166
13 C8x C 27.3396 -14.5050
14 C1x C 28.7516 -16.3779
15 C5x C 24.7725 -20.4388
16 N1y N 29.4460 -17.5857
17 C8x C 26.1261 -13.8106
18 O2a O 23.7048 -13.8340
19 O5x O 24.0663 -21.6406
20 C1a C 30.8462 -17.5857
21 C1a C 22.4911 -14.5166
BOND 24
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 2
7 3 8 1
8 3 9 1
9 4 10 2
10 5 11 1
11 6 12 2
12 7 13 1
13 7 14 1
14 9 15 1
15 11 16 1
16 12 17 1
17 12 18 1
18 15 19 2
19 16 20 1
20 18 21 1
21 6 8 1
22 10 15 1
23 13 17 2
24 14 16 1
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