fragmenstein/demo/mpro_mols/Mpro-x10248.mol
x10248
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
7.0830 -0.8120 20.7360 N 0 0 0 0 0 0 0 0 0 0 0 0
13.9240 -0.1790 23.3740 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8830 0.4820 21.2440 O 0 0 0 0 0 0 0 0 0 0 0 0
12.5010 -0.6480 23.2990 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5960 0.6010 17.3930 N 0 0 0 0 0 0 0 0 0 0 0 0
12.0830 -1.4940 22.2870 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7560 -1.8490 22.1580 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8010 -1.3430 23.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3460 -1.4130 22.6590 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1460 -0.4890 21.4740 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5650 -0.0210 19.7020 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0960 -0.0880 18.4220 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5270 1.3690 17.6250 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9430 1.5040 18.8660 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4760 0.8250 19.9490 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9440 1.0600 21.3400 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2250 -0.5470 24.0730 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5560 -0.2050 24.2080 C 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0
4 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
1 10 1 0
3 10 2 0
9 10 1 0
1 11 1 0
5 12 2 0
11 12 1 0
5 13 1 0
13 14 2 0
11 15 2 0
14 15 1 0
15 16 1 0
8 17 1 0
4 18 1 0
17 18 2 0
M END