| KCF data |
 ALIGN 1
1 1:O0 10:O6a #R1
- * 6:C6a #D1
ENTRY1
COMPOUND C00001
ATOM 1
1 O0 O 22.1250 -16.2017
BOND 0
ENTRY2
COMPOUND C05994
ATOM 12
1 C1d C -0.1069 -0.2621
2 C1b C 0.5448 -0.6345
3 C1b C -0.4862 0.3862
4 C6a C -0.7517 -0.6379
5 O1a O 0.2655 0.3862
6 C6a C 1.1897 -0.2586
7 C1b C -0.4897 1.1379
8 O6a O -1.4034 -0.2621
9 O6a O -0.7552 -1.3862
10 O6a O 1.8345 -0.6345
11 O6a O 1.1862 0.4931
12 C1a C -1.0241 1.6724
BOND 11
1 1 2 1
2 1 3 1 #Down
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 3 7 1
7 4 8 1
8 4 9 2
9 6 10 1
10 6 11 2
11 7 12 1
|
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