ALIGN 1
1 4:N1a 4:N1a #R1
- 1:C1c * #D1
- * 1: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
C00097
ATOM 7
1 C1c C 0.0862 -0.1862
2 C6a C -0.5931 0.2552
3 C1b C 0.8103 0.2172
4 N1a N 0.1103 -1.0138
5 O6a O -1.3138 -0.1483
6 O6a O -0.6207 1.0862
7 S1a S 1.5241 -0.2069
BOND 6
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 2
6 3 7 1