| KCF data |
 ALIGN 1
1 1:O0 8:O1a #R1
- * 3:C1y #D1
ENTRY1
COMPOUND C00001
ATOM 1
1 O0 O 22.1250 -16.2017
BOND 0
ENTRY2
COMPOUND C05906
ATOM 22
1 C8y C -1.5621 0.5177
2 C8y C -1.5586 1.2659
3 C1y C -0.9138 0.1384
4 C8y C -2.2069 0.1418
5 O2x O -0.9069 1.6384
6 C8x C -2.2069 1.6418
7 C1y C -0.2621 0.5108
8 O1a O -0.9172 -0.6099
9 C8x C -2.8552 0.5177
10 O1a O -2.2138 -0.6099
11 C1y C -0.2586 1.2625
12 C8y C -2.8552 1.2659
13 O1a O 0.3828 0.1384
14 C8y C 0.3862 1.6418
15 O1a O -3.5069 1.6418
16 C8x C 1.0310 1.2659
17 C8x C 0.3862 2.3901
18 C8y C 1.6793 1.6384
19 C8x C 1.0345 2.7591
20 C8y C 1.6793 2.3866
21 O1a O 2.3241 1.2659
22 O1a O 2.3241 2.7660
BOND 24
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1 #Up
8 4 9 2
9 4 10 1
10 5 11 1
11 6 12 2
12 7 13 1 #Up
13 11 14 1 #Down
14 12 15 1
15 14 16 2
16 14 17 1
17 16 18 1
18 17 19 2
19 18 20 2
20 18 21 1
21 20 22 1
22 7 11 1
23 9 12 1
24 19 20 1
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