fragmenstein/demo/mpro_mols/Mpro-x1458.mol
x1458
RDKit 3D
17 17 0 0 0 0 0 0 0 0999 V2000
6.9800 -3.3020 26.5040 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9580 -4.7000 27.0650 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9750 -3.1800 25.4580 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5130 -4.3710 27.3860 C 0 0 2 0 0 0 0 0 0 0 0 0
6.9250 -4.4060 21.3450 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5780 -4.9840 19.6280 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6260 -5.5990 27.4150 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4960 -1.9560 26.7720 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1590 -3.5330 25.4590 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8110 -4.1040 24.2110 C 0 0 1 0 0 0 0 0 0 0 0 0
5.8700 -5.0410 23.4510 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5320 -5.5390 22.1900 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8600 -3.4910 22.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2560 -2.9630 23.2870 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4350 -4.2450 20.0940 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9840 -3.1120 19.2690 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5630 -3.5370 18.4810 R 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0
4 2 1 6
4 7 1 0
1 8 1 0
1 9 1 0
3 9 2 0
10 9 1 1
10 11 1 0
5 12 1 0
11 12 1 0
5 13 1 0
10 14 1 0
13 14 1 0
5 15 1 0
6 15 2 0
15 16 1 0
16 17 1 0
M END