ALIGN 3
1 1:C0 10:C6a #R1
2 2:O0 11:O6a #M1
3 3:O0 12:O6a #M1
- * 9:C8y #D1
ENTRY1
COMPOUND
C00011
ATOM 3
1 C0 C 21.8400 -11.9918
2 O0 O 20.6288 -12.6940
3 O0 O 23.0512 -12.6940
BOND 2
1 1 2 2
2 1 3 2
ENTRY2
COMPOUND
C19837
ATOM 12
1 C8x C 22.0844 -22.0228
2 C8x C 22.0844 -23.4205
3 C8x C 23.2948 -24.1194
4 C8y C 24.5053 -23.4205
5 C8y C 24.5053 -22.0228
6 C8x C 23.2948 -21.3240
7 N4x N 25.8346 -23.8524
8 C8x C 26.6561 -22.7217
9 C8y C 25.8346 -21.5910
10 C6a C 26.2650 -20.2663
11 O6a O 27.6421 -19.9736
12 O6a O 25.3382 -19.2376
BOND 13
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 5 9 1
11 9 10 1
12 10 11 1
13 10 12 2