| KCF data |
 ALIGN 1
1 1:O0 8:O6a #R1
- * 6:C6a #D1
ENTRY1
COMPOUND C00001
ATOM 1
1 O0 O 22.1250 -16.2017
BOND 0
ENTRY2
COMPOUND C02222
ATOM 11
1 C5a C -0.4138 -0.5103
2 C2b C -1.0621 -0.1345
3 C1b C 0.2379 -0.1345
4 O5a O -0.4138 -1.2621
5 C2b C -1.0621 0.6138
6 C6a C 0.8862 -0.5103
7 C6a C -0.4138 0.9897
8 O6a O 1.5345 -0.1345
9 O6a O 0.8862 -1.2621
10 O6a O -0.4138 1.7379
11 O6a O 0.2345 0.6103
BOND 10
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 3 6 1
6 5 7 1
7 6 8 1
8 6 9 2
9 7 10 1
10 7 11 2
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