ATOM 22
1 C1y C 26.0098 -16.1624
2 C1y C 24.6253 -16.1453
3 C1z C 26.5727 -17.3281
4 C1y C 26.8603 -15.0712
5 C1z C 23.7253 -15.1069
6 O2x O 24.1795 -17.4650
7 C1z C 25.2903 -18.2893
8 C7x C 28.0612 -17.0769
9 C1a C 27.4799 -18.3813
10 O7x O 28.1751 -15.6812
11 C1x C 26.4650 -13.5760
12 C1y C 24.0127 -13.7459
13 C5x C 22.3332 -15.2413
14 C1a C 22.7228 -16.4309
15 C1a C 24.5830 -19.4783
16 O1a O 26.1896 -19.5542
17 O6a O 29.2294 -17.7944
18 C1y C 25.2673 -13.1243
19 C2x C 22.8098 -13.0435
20 C2x C 21.7798 -13.9755
21 O5x O 21.6310 -16.4442
22 C1a C 25.2480 -11.7321
BOND 25
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 3 9 1 #Down
9 4 10 1
10 4 11 1
11 5 12 1
12 5 13 1
13 5 14 1 #Up
14 7 15 1
15 7 16 1
16 8 17 2
17 11 18 1
18 12 19 1
19 13 20 1
20 13 21 2
21 18 22 1 #Down
22 6 7 1
23 8 10 1
24 12 18 1
25 19 20 2
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