ATOM 24
1 C1z C 26.0043 -15.6038
2 C1y C 24.7102 -14.8867
3 C1y C 27.1643 -14.9043
4 C1x C 25.5614 -14.5895
5 C5x C 25.9402 -17.0202
6 C1z C 23.4162 -15.5921
7 C1y C 24.7162 -13.4703
8 C1z C 27.1759 -13.4819
9 C7x C 28.1728 -13.8724
10 O2x O 26.1383 -13.7269
11 C2x C 24.7102 -17.7371
12 O5x O 27.1702 -17.7314
13 C2y C 23.4745 -17.0202
14 C5x C 22.1279 -15.1433
15 C1a C 23.4629 -14.4498
16 C1y C 25.9519 -12.7650
17 O1a O 23.4920 -12.4674
18 C1a C 28.9601 -12.7591
19 O7x O 27.3216 -12.1760
20 O6a O 29.5951 -13.8724
21 C2y C 22.1105 -17.4516
22 C2x C 21.2827 -16.2916
23 O5x O 21.6965 -13.7793
24 C1a C 21.6558 -18.8097
BOND 28
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 1 5 1
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1 #Down
9 4 10 1
10 5 11 1
11 5 12 2
12 6 13 1
13 6 14 1
14 6 15 1 #Up
15 7 16 1
16 7 17 1 #Up
17 8 18 1
18 9 19 1
19 9 20 2
20 13 21 1
21 14 22 1
22 14 23 2
23 21 24 1
24 8 10 1 #Up
25 8 16 1
26 11 13 2
27 16 19 1 #Down
28 21 22 2
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