| KCF data |
 ALIGN 1
1 1:O0 8:O6a #R1
- * 4:C6a #D1
ENTRY1
COMPOUND C00001
ATOM 1
1 O0 O 22.1250 -16.2017
BOND 0
ENTRY2
COMPOUND C07215
ATOM 10
1 C8y C -0.1414 0.1655
2 C8y C 0.5690 -0.2483
3 C8x C -0.8586 -0.2483
4 C6a C -0.1414 0.9897
5 C8x C 0.5690 -1.0724
6 C1a C 1.2862 0.1655
7 C8x C -0.8586 -1.0724
8 O6a O -0.8552 1.4034
9 O6a O 0.5724 1.4000
10 C8x C -0.1414 -1.4862
BOND 10
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 1
8 4 9 2
9 5 10 2
10 7 10 1
|
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