fragmenstein/demo/mpro_mols/Mpro-x2563.mol
x2563
RDKit 3D
20 22 0 0 0 0 0 0 0 0999 V2000
6.1270 0.7300 17.2470 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6280 -0.1320 21.0750 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8160 1.0610 20.8410 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6180 -0.9550 20.3020 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2490 -0.8070 22.0620 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6900 -0.1310 19.4400 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8870 0.0080 18.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0930 1.3750 17.7660 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7510 1.3420 19.1350 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6520 2.0510 19.6800 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3740 1.9820 21.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1700 1.2260 21.8620 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2400 0.5270 21.3780 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5700 0.5600 19.9970 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0490 -0.2310 23.0670 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3880 0.0580 22.8240 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1050 0.8140 23.7360 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5010 1.2710 24.8880 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1800 0.9650 25.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4510 0.2090 24.2430 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 2 0
2 4 1 0
2 5 1 0
4 6 1 0
1 7 2 0
6 7 1 0
1 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
6 14 2 0
9 14 1 0
13 14 1 0
5 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 19 1 0
15 20 1 0
19 20 2 0
M END