| KCF data |
 ALIGN 1
1 1:O0 6:O6a #R1
- * 4:C6a #D1
ENTRY1
COMPOUND C00001
ATOM 1
1 O0 O 22.1250 -16.2017
BOND 0
ENTRY2
COMPOUND C06102
ATOM 9
1 C1b C 0.0793 0.2276
2 C1b C 0.7931 -0.1793
3 C1b C -0.6345 -0.1828
4 C6a C 1.5035 0.2310
5 C1b C -1.3448 0.2241
6 O6a O 2.2172 -0.1759
7 O6a O 1.5035 1.0586
8 C4a C -2.0586 -0.1897
9 O4a O -2.0552 -1.0138
BOND 8
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 4 6 1
6 4 7 2
7 5 8 1
8 8 9 2
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