| KCF data |
 ALIGN 1
1 1:O0 4:O6a #R1
- * 2:C6a #D1
ENTRY1
COMPOUND C00001
ATOM 1
1 O0 O 22.1250 -16.2017
BOND 0
ENTRY2
COMPOUND C00334
ATOM 7
1 C1b C 21.8376 -18.3787
2 C6a C 23.0478 -17.6770
3 C1b C 20.6274 -17.6770
4 O6a O 24.2580 -18.3850
5 O6a O 23.0478 -16.2803
6 C1b C 19.4108 -18.3787
7 N1a N 18.2006 -17.6770
BOND 6
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 2
5 3 6 1
6 6 7 1
|