ATOM 22
1 C1z C 26.5560 -13.5821
2 C1y C 25.6882 -12.6407
3 O2x O 26.9751 -12.2059
4 C1x C 26.1838 -15.1380
5 C1a C 27.8410 -13.5608
6 C1x C 24.2654 -12.6364
7 C1y C 27.0287 -16.2608
8 C1x C 23.4787 -13.4913
9 C1y C 26.2186 -17.3945
10 O7x O 28.3617 -16.6703
11 C2y C 23.9066 -15.0619
12 C1y C 24.9078 -17.0681
13 C2y C 27.0577 -18.5121
14 C7x C 28.3740 -18.0641
15 C2x C 24.9068 -15.6390
16 C1a C 22.3235 -15.6578
17 O7a O 23.4570 -17.5091
18 C2a C 26.6394 -19.8522
19 O6a O 29.5203 -18.8736
20 C7a C 22.6447 -18.6490
21 C1a C 21.2520 -18.6097
22 O6a O 23.2477 -19.9250
BOND 24
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 4 7 1
7 6 8 1
8 7 9 1
9 7 10 1
10 8 11 1
11 9 12 1
12 9 13 1
13 10 14 1
14 11 15 2
15 11 16 1
16 12 17 1 #Down
17 13 18 2
18 14 19 2
19 17 20 1
20 20 21 1
21 20 22 2
22 2 3 1
23 12 15 1
24 13 14 1
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