ALIGN 9
1 1:C1c 1:C5a #R1
2 2:C1b 2:C1b #M1
3 3:C6a 3:C6a #M1
4 5:C1b 5:C1b
5 6:O6a 6:O6a
6 7:O6a 7:O6a
7 8:C6a 8:C6a
8 9:O6a 9:O6a
9 10:O6a 10:O6a
- 4:N1a * #D1
- * 4:O5a #D1
ENTRY1
COMPOUND
C00025
ATOM 10
1 C1c C 20.3373 -15.3609
2 C1b C 21.5254 -14.6234
3 C6a C 19.1024 -14.6995
4 N1a N 20.3782 -16.7596
5 C1b C 22.7603 -15.2789
6 O6a O 17.9435 -15.4955
7 O6a O 19.1199 -13.3008
8 C6a C 23.9484 -14.5415
9 O6a O 25.1832 -15.2029
10 O6a O 23.9016 -13.1427
BOND 9
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 3 6 1
6 3 7 2
7 5 8 1
8 8 9 1
9 8 10 2
ENTRY2
COMPOUND
C00026
ATOM 10
1 C5a C 23.3536 -16.5190
2 C1b C 22.1378 -15.8177
3 C6a C 24.5630 -15.8177
4 O5a O 23.3536 -17.9913
5 C1b C 20.9284 -16.5190
6 O6a O 25.7725 -16.5253
7 O6a O 24.5565 -14.4217
8 C6a C 19.7126 -15.8177
9 O6a O 19.7189 -14.4217
10 O6a O 18.5031 -16.5253
BOND 9
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 3 6 1
6 3 7 2
7 5 8 1
8 8 9 1
9 8 10 2