ALIGN 1
1 1:O0 13:O6a #R1
- * 11:C6a #D1
ENTRY1
COMPOUND
C00001
ATOM 1
1 O0 O 22.1250 -16.2017
BOND 0
ENTRY2
COMPOUND
C14097
ATOM 13
1 C8x C 25.7542 -47.4417
2 C8x C 25.7542 -48.2708
3 C8x C 26.4745 -48.6833
4 C8y C 26.4745 -47.0250
5 C8y C 27.1907 -47.4417
6 C8y C 27.1872 -48.2708
7 O1a O 27.9111 -47.0281
8 C6a C 26.4756 -46.1958
9 O6a O 27.1947 -45.7842
10 O6a O 25.7574 -45.7824
11 C6a C 27.9057 -48.6835
12 O6a O 28.6245 -48.2713
13 O6a O 27.9054 -49.5127
BOND 13
1 5 6 1
2 7 5 1
3 3 6 2
4 4 8 1
5 5 4 2
6 8 9 2
7 4 1 1
8 8 10 1
9 6 11 1
10 1 2 2
11 11 12 2
12 2 3 1
13 11 13 1