fragmenstein/demo/mpro_mols/Mpro-x0398.mol
x0398
RDKit 3D
15 16 0 0 0 0 0 0 0 0999 V2000
25.9860 -10.3580 4.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
26.3390 -10.2790 5.6440 C 0 0 0 0 0 0 0 0 0 0 0 0
27.2530 -11.0930 6.0290 N 0 0 0 0 0 0 0 0 0 0 0 0
27.8490 -10.7740 7.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
27.6440 -11.7620 8.3890 C 0 0 0 0 0 0 0 0 0 0 0 0
27.8360 -13.0470 7.9520 O 0 0 0 0 0 0 0 0 0 0 0 0
26.9620 -13.3770 6.9270 C 0 0 0 0 0 0 0 0 0 0 0 0
27.0590 -12.4440 5.7260 C 0 0 0 0 0 0 0 0 0 0 0 0
24.2340 -10.8150 3.9840 S 0 0 0 0 0 0 0 0 0 0 0 0
23.3230 -9.4530 4.7470 C 0 0 0 0 0 0 0 0 0 0 0 0
23.5990 -8.1590 4.3470 C 0 0 0 0 0 0 0 0 0 0 0 0
22.9250 -7.1070 4.9240 C 0 0 0 0 0 0 0 0 0 0 0 0
21.9730 -7.3300 5.9060 C 0 0 0 0 0 0 0 0 0 0 0 0
21.7030 -8.6250 6.3070 C 0 0 0 0 0 0 0 0 0 0 0 0
22.3830 -9.6910 5.7300 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
3 8 1 0
7 8 1 0
1 9 1 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
10 15 1 0
14 15 2 0
M END