ALIGN 1
1 4:N1a 7:N1a #R1
- 1:C1c * #D1
- * 6:C1b #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
C00334
ATOM 7
1 C1b C 21.8376 -18.3787
2 C6a C 23.0478 -17.6770
3 C1b C 20.6274 -17.6770
4 O6a O 24.2580 -18.3850
5 O6a O 23.0478 -16.2803
6 C1b C 19.4108 -18.3787
7 N1a N 18.2006 -17.6770
BOND 6
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 2
5 3 6 1
6 6 7 1
