ATOM 22
1 C1y C 27.1249 -20.0428
2 C1y C 25.7952 -19.6229
3 N1y N 27.1249 -21.4366
4 C2y C 28.3905 -19.5295
5 C1x C 24.9787 -20.7601
6 O7x O 26.1860 -18.1941
7 C1x C 25.8069 -21.8799
8 C1x C 28.4489 -21.8682
9 C2x C 29.2652 -20.7427
10 C1x C 28.0289 -18.1882
11 C7x C 25.1362 -17.2784
12 O7x O 29.0146 -17.2084
13 C1y C 25.2936 -15.8613
14 O6a O 23.5325 -17.2667
15 C7x C 28.6647 -15.8613
16 C1z C 26.2793 -14.8756
17 C1a C 24.0749 -15.1614
18 C1y C 27.6790 -14.8756
19 O6a O 29.8660 -15.1555
20 C1a C 25.2878 -13.8783
21 O1a O 26.2735 -13.4759
22 C1a C 28.0347 -13.5226
BOND 24
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 1
8 4 9 2
9 4 10 1
10 6 11 1
11 10 12 1
12 11 13 1
13 11 14 2
14 12 15 1
15 13 16 1
16 13 17 1 #Down
17 15 18 1
18 15 19 2
19 16 20 1 #Down
20 16 21 1 #Up
21 18 22 1 #Down
22 5 7 1
23 8 9 1
24 16 18 1
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