fragmenstein/demo/mpro_mols/Mpro-x1348.mol
x1348
RDKit 3D
16 17 0 0 0 0 0 0 0 0999 V2000
7.1600 -3.8020 21.2690 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7360 -4.7000 27.6190 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5750 -4.7760 26.2030 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4690 -5.3920 25.7060 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1210 -4.5680 23.4670 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6390 -4.2280 19.6470 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5520 -6.1210 26.4610 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4520 -6.7160 25.8380 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2480 -6.6000 24.4800 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1720 -5.8720 23.7410 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5990 -4.5630 22.2740 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6620 -3.6640 20.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4670 -2.7730 19.0870 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2890 -5.2610 24.3320 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1810 -5.5550 22.0270 S 0 0 0 0 0 0 0 0 0 0 0 0
8.9660 -3.5560 18.4270 R 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0
3 4 1 0
4 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
1 11 1 0
5 11 2 0
1 12 1 0
6 12 2 0
12 13 1 0
4 14 1 0
5 14 1 0
10 14 2 0
10 15 1 0
11 15 1 0
13 16 1 0
M END