ALIGN 1
1 1:O0 11:O6a #R1
- * 9:C6a #D1
ENTRY1
COMPOUND
C00001
ATOM 1
1 O0 O 22.1250 -16.2017
BOND 0
ENTRY2
COMPOUND
C01744
ATOM 12
1 C8y C 21.5063 -16.1844
2 C8x C 20.3012 -16.8831
3 C8x C 22.7305 -16.8831
4 C1b C 21.5063 -14.7934
5 C8x C 20.3012 -18.2931
6 C8x C 22.7305 -18.2931
7 C1b C 22.7111 -14.0884
8 C8y C 21.5063 -19.0045
9 C6a C 22.7048 -12.6975
10 O1a O 21.5063 -20.5354
11 O6a O 23.9162 -11.9990
12 O6a O 21.4935 -12.0053
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 5 8 2
8 7 9 1
9 8 10 1
10 9 11 1
11 9 12 2
12 6 8 1