fragmenstein/demo/mpro_mols/Mpro-x0107.mol
x0107
RDKit 3D
11 11 0 0 0 0 0 0 0 0999 V2000
10.0450 -0.6630 22.5460 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1480 -0.0440 21.4760 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4740 0.9690 20.9600 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9020 -0.6880 21.1000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0480 -0.1040 20.0780 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4210 -0.1700 18.7420 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6690 0.3470 17.7900 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5370 0.9500 18.0780 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0830 1.0730 19.3850 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8540 0.5290 20.4130 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4110 0.6350 21.8710 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
5 10 1 0
9 10 2 0
10 11 1 0
M END