ATOM 22
1 C1z C 26.7941 -18.0131
2 C1y C 26.7881 -19.4264
3 C1z C 28.0206 -17.3057
4 C1x C 25.5791 -17.3000
5 C1a C 26.7824 -16.6055
6 C1y C 28.0089 -20.1266
7 C1z C 25.5791 -20.1207
8 C2y C 29.2413 -18.0247
9 C4a C 29.2354 -16.5938
10 O1a O 28.0089 -15.8924
11 C1x C 24.3652 -18.0131
12 C2x C 29.2354 -19.4321
13 O7a O 28.0030 -21.5470
14 C1x C 24.3652 -19.4264
15 C1a C 26.2747 -21.3414
16 C1a C 24.8672 -21.3414
17 C4a C 30.4680 -17.3174
18 O4a O 29.2296 -15.1864
19 C7a C 28.7162 -22.7549
20 O4a O 31.6828 -18.0307
21 C1a C 28.0089 -23.9698
22 O6a O 30.1236 -22.7490
BOND 23
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1 #Up
9 3 10 1 #Down
10 4 11 1
11 6 12 1
12 6 13 1 #Up
13 7 14 1
14 7 15 1
15 7 16 1
16 8 17 1
17 9 18 2
18 13 19 1
19 17 20 2
20 19 21 1
21 19 22 2
22 8 12 2
23 11 14 1
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