fragmenstein/demo/mpro_mols/Mpro-x0336.mol
x0336
RDKit 3D
15 15 0 0 0 0 0 0 0 0999 V2000
5.5050 -30.1090 10.7980 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9730 -29.9150 9.3780 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6240 -30.8760 8.7810 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8480 -28.6050 8.7440 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2760 -27.3880 9.4210 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3290 -26.2030 9.3800 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8810 -25.6270 10.5600 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0430 -24.5260 10.5050 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6700 -24.0030 9.2770 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1300 -24.5740 8.1130 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9600 -25.6680 8.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5760 -22.5650 9.1500 S 0 0 2 0 0 0 0 0 0 0 0 0
1.7540 -21.6470 10.2710 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1690 -22.9540 9.2880 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8430 -21.7290 7.6910 N 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 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
6 11 1 0
10 11 2 0
9 12 1 0
12 13 2 0
12 14 2 0
12 15 1 6
M END