fragmenstein/demo/mpro_mols/Mpro-x2608.mol
x2608
RDKit 3D
16 17 0 0 0 0 0 0 0 0999 V2000
8.9990 -0.8670 22.0730 N 0 0 0 0 0 0 0 0 0 0 0 0
13.3740 1.8990 23.0960 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7370 0.9250 20.6860 O 0 0 0 0 0 0 0 0 0 0 0 0
12.2890 0.8730 23.0670 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1230 -0.6790 20.7130 N 0 0 0 0 0 0 0 0 0 0 0 0
12.3000 -0.3980 23.5530 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8580 0.7490 17.5710 N 0 0 0 0 0 0 0 0 0 0 0 0
11.1240 -1.1280 23.2710 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2140 -0.3980 22.5660 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3070 -0.1410 21.1170 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2450 -0.0540 19.8050 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1110 0.6150 20.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3750 1.3680 19.3510 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7890 1.4090 18.0330 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5690 0.0360 18.4520 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7960 1.2030 22.2710 S 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0
4 6 2 0
6 8 1 0
1 9 1 0
8 9 2 0
1 10 1 0
3 10 2 0
5 10 1 0
5 11 1 0
11 12 1 0
12 13 2 0
7 14 2 0
13 14 1 0
7 15 1 0
11 15 2 0
4 16 1 0
9 16 1 0
M END