ALIGN 1
1 1:O0 4:O6a #R1
- * 1:C6a #D1
ENTRY1
COMPOUND
C00001
ATOM 1
1 O0 O 22.1250 -16.2017
BOND 0
ENTRY2
COMPOUND
C00060
ATOM 4
1 C6a C 0.0000 0.0000
2 O6a O 0.7103 0.4138
3 R R -0.7138 0.4138
4 O6a O 0.0000 -0.8276 #-
BOND 3
1 1 2 2
2 1 3 1
3 1 4 1