ATOM 20
1 C1y C 26.7235 -16.6350
2 C1y C 27.5824 -15.5141
3 C2y C 27.5147 -17.7999
4 C1x C 25.3092 -16.6316
5 O7x O 28.9156 -15.9889
6 C1x C 27.2647 -14.1441
7 C7x C 28.8730 -17.4001
8 C2a C 27.0422 -19.1073
9 C2x C 24.4253 -15.6802
10 C2y C 25.9929 -13.5566
11 O6a O 29.9759 -18.2545
12 C2y C 23.0394 -15.6700
13 C2x C 24.7318 -14.1797
14 C1a C 25.9795 -12.1591
15 C1x C 22.4857 -14.3963
16 C7a C 22.3366 -16.8721
17 C1x C 23.5248 -13.4740
18 O7a O 23.0163 -18.0855
19 O6a O 20.9415 -16.8595
20 C1a C 22.3152 -19.2638
BOND 21
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 6 10 1
10 7 11 2
11 9 12 2
12 10 13 2
13 10 14 1
14 12 15 1
15 12 16 1
16 13 17 1
17 16 18 1
18 16 19 2
19 5 7 1
20 15 17 1
21 18 20 1
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