ALIGN 1
1 1:O0 7:O6a #R1
- * 4:C6a #D1
ENTRY1
COMPOUND
C00001
ATOM 1
1 O0 O 22.1250 -16.2017
BOND 0
ENTRY2
COMPOUND
C01424
ATOM 12
1 C8y C 22.1200 -15.1127
2 C8x C 20.9090 -15.8112
3 C8x C 23.3375 -15.8112
4 C6a C 22.1137 -13.9323
5 C8y C 20.9090 -17.2208
6 C8y C 23.3375 -17.2208
7 O6a O 23.3182 -13.2338
8 O6a O 20.9025 -13.2401
9 C8y C 22.1200 -17.9322
10 O1a O 19.6978 -17.9128
11 O1a O 24.5485 -17.9128
12 O1a O 22.1137 -19.3290
BOND 12
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 2
6 4 7 1
7 4 8 2
8 5 9 2
9 5 10 1
10 6 11 1
11 9 12 1
12 6 9 1