fragmenstein/demo/mpro_mols/Mpro-x2964.mol
x2964
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
3.5870 2.0920 19.4620 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7380 1.3990 19.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0690 1.1950 20.9180 O 0 0 0 0 0 0 0 0 0 0 0 0
14.2360 -1.4620 21.3150 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5.2510 1.2910 17.8740 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3690 0.6280 17.5690 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0380 0.0450 18.5680 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4600 -0.4310 20.9190 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6360 0.0950 19.9000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3110 -0.6520 22.2330 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6360 0.1260 21.3380 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6380 -0.4040 22.6450 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9310 0.6440 23.5090 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2420 1.0700 23.6570 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2660 0.4440 22.9620 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9580 -0.6320 22.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6620 -1.0760 21.9890 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4590 0.7740 20.1980 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 5 2 0
5 6 1 0
6 7 2 0
7 9 1 0
8 9 1 0
3 11 2 0
8 11 1 0
10 11 1 0
10 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
4 16 1 0
15 16 1 0
12 17 1 0
16 17 2 0
2 18 1 0
9 18 2 0
M END