fragmenstein/demo/mpro_mols/Mpro-x1478.mol
x1478
RDKit 3D
12 12 0 0 0 0 0 0 0 0999 V2000
7.4020 -3.1330 21.3610 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4490 -2.5790 19.3210 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2640 -3.5570 19.4330 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3540 -5.8850 21.7620 Cl 0 0 0 0 0 0 0 0 0 0 0 0
7.2490 -3.1510 20.0270 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9200 -4.6570 23.5460 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4060 -3.2370 22.3540 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9740 -2.1350 23.0890 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0040 -2.3220 24.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5110 -3.5930 24.2430 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8470 -4.4770 22.6300 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1090 -3.3990 17.8470 R 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0
2 5 1 0
3 5 2 0
1 7 1 0
7 8 1 0
8 9 2 0
6 10 2 0
9 10 1 0
4 11 1 0
6 11 1 0
7 11 2 0
2 12 1 0
M END