| KCF data |
 ALIGN 1
1 1:O0 5:O6a #R1
- * 2:C6a #D1
ENTRY1
COMPOUND C00001
ATOM 1
1 O0 O 22.1250 -16.2017
BOND 0
ENTRY2
COMPOUND C00156
ATOM 10
1 C8y C 0.0000 0.3793
2 C6a C -0.0034 1.1310
3 C8x C -0.6517 0.0034
4 C8x C 0.6586 0.0034
5 O6a O -0.6517 1.5035
6 O6a O 0.6448 1.5069
7 C8x C -0.6517 -0.7517
8 C8x C 0.6586 -0.7517
9 C8y C 0.0000 -1.1379
10 O1a O -0.0034 -1.8862
BOND 10
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 2
7 4 8 1
8 7 9 1
9 9 10 1
10 8 9 2
|
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