| KCF data |
 ALIGN 1
1 1:O0 4:O5a #R1
- * 1:C5a #D1
ENTRY1
COMPOUND C00001
ATOM 1
1 O0 O 22.1250 -16.2017
BOND 0
ENTRY2
COMPOUND C00036
ATOM 9
1 C5a C 21.5736 -15.6638
2 C1b C 22.9771 -15.6638
3 C6a C 20.6530 -16.7130
4 O5a O 21.0529 -14.4776
5 C6a C 23.6787 -16.8742
6 O6a O 19.2817 -16.4364
7 O6a O 21.0402 -18.0393
8 O6a O 22.9706 -18.0843
9 O6a O 25.0057 -16.7976
BOND 8
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 3 6 1
6 3 7 2
7 5 8 1
8 5 9 2
|