| KCF data |
 ALIGN 1
1 1:O0 7:O6a #R1
- * 4:C6a #D1
ENTRY1
COMPOUND C00001
ATOM 1
1 O0 O 22.1250 -16.2017
BOND 0
ENTRY2
COMPOUND C07211
ATOM 10
1 C8y C -0.1414 0.3310
2 C8x C 0.5690 -0.0828
3 C8x C -0.8586 -0.0828
4 C6a C -0.1414 1.1552
5 C8y C 0.5690 -0.9069
6 C8x C -0.8586 -0.9069
7 O6a O -0.8552 1.5690
8 O6a O 0.5724 1.5655
9 C8x C -0.1414 -1.3207
10 C1a C 1.2828 -1.3207
BOND 10
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 2
6 4 7 1
7 4 8 2
8 5 9 2
9 5 10 1
10 6 9 1
|
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