ALIGN 1
1 4:N1a 8:N1a #R1
- 1:C1c * #D1
- * 6:C1c #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
C05672
ATOM 10
1 P1b P 2.0621 2.0035
2 C1b C -0.5379 2.0414
3 O1c O 3.7621 2.0035
4 O1c O 2.0586 0.3034
5 O1c O 2.0586 3.7034
6 C1c C -2.3793 0.2034
7 C6a C -2.3828 -2.3966
8 N1a N 0.1345 -0.4690
9 O6a O -4.6379 -3.6931
10 O6a O -0.1345 -3.7000
BOND 9
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 2
5 2 6 1
6 6 7 1
7 6 8 1
8 7 9 1
9 7 10 2