fragmenstein/demo/mpro_mols/Mpro-x0397.mol
x0397
RDKit 3D
15 16 0 0 0 0 0 0 0 0999 V2000
8.3100 -1.3830 20.7980 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3510 -2.0600 19.9160 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2770 -1.6710 18.4960 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4360 -0.3800 18.3970 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4580 0.0210 19.3050 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9570 1.2150 18.8640 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8580 2.0340 19.5420 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5990 1.5230 17.7480 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5180 0.5660 17.4500 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4640 -3.0930 20.4560 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6920 -3.6350 19.7280 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5370 -3.4570 21.8800 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6580 -4.4950 22.4340 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3470 -5.5030 23.3580 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9270 -5.9190 21.9420 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 2 0
6 7 1 0
6 8 1 0
4 9 2 0
8 9 1 0
2 10 1 0
10 11 2 0
10 12 1 0
13 12 1 6
13 14 1 0
13 15 1 0
14 15 1 0
M END