ALIGN 1
1 1:O0 13:O5a #R1
- * 10:C5a #D1
ENTRY1
COMPOUND
C00001
ATOM 1
1 O0 O 22.1250 -16.2017
BOND 0
ENTRY2
COMPOUND
C00331
ATOM 15
1 C8y C 19.9066 -16.5928
2 C8y C 22.2376 -16.5928
3 C8y C 19.9066 -17.9387
4 C8x C 18.7380 -15.9258
5 C1b C 23.1737 -15.6504
6 C8x C 22.2376 -17.9387
7 N4x N 21.0691 -18.6117
8 C8x C 18.7380 -18.6179
9 C8x C 17.5878 -16.5928
10 C5a C 24.4647 -15.9931
11 C8x C 17.5878 -17.9387
12 C6a C 25.4008 -15.0571
13 O5a O 24.8073 -17.2780
14 O6a O 26.6855 -15.3997
15 O6a O 25.0582 -13.7722
BOND 16
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 8 11 2
11 10 12 1
12 10 13 2
13 12 14 1
14 12 15 2
15 6 7 1
16 9 11 1
