fragmenstein/demo/mpro_mols/Mpro-x0771.mol
x0771
RDKit 3D
21 22 0 0 0 0 0 0 0 0999 V2000
5.7270 -5.3910 24.2790 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6160 -1.4270 26.0920 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5110 -6.8640 25.8340 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6940 -2.4560 26.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6480 -4.8050 21.6900 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0300 -5.1190 26.7030 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0020 -2.1400 26.3020 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8490 -4.1710 19.6650 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -3.0850 26.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7020 -4.3860 25.8390 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3780 -4.7460 25.5250 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9150 -6.1100 25.0910 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4090 -3.7520 25.6210 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5440 -4.1920 24.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4450 -4.4580 22.8670 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7790 -5.9590 21.9230 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8860 -5.7170 23.1140 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7340 -4.1460 20.5120 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0260 -3.4210 20.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0410 -5.5390 25.7600 S 0 0 1 0 0 0 0 0 0 0 0 0
8.4070 -3.3620 18.4690 R 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0
4 7 2 0
7 9 1 0
9 10 2 0
10 11 1 0
11 12 1 0
4 13 1 0
11 13 2 0
1 14 1 0
5 15 1 0
14 15 1 0
5 16 1 0
1 17 1 0
16 17 1 0
5 18 1 0
8 18 2 0
18 19 1 0
1 20 1 0
3 20 2 0
6 20 2 0
20 10 1 6
19 21 1 0
M END