fragmenstein/demo/mpro_mols/Mpro-x0540.mol
x0540
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
2.8570 1.4420 24.1930 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8950 2.2840 23.3450 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0400 2.4190 22.4600 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1740 1.5250 22.5450 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8490 0.2900 21.7100 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2790 0.4030 20.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3500 -0.3670 19.7920 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7350 -0.2560 18.4630 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0990 0.5510 17.6440 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0630 1.2880 18.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6090 1.2540 19.3650 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8160 3.2270 23.1300 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6160 3.2690 23.9400 C 0 0 1 0 0 0 0 0 0 0 0 0
0.5050 4.7100 24.4450 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8180 4.9620 25.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9840 4.6450 24.2240 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9280 3.2120 23.7100 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5740 2.8570 23.0860 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
6 11 1 0
10 11 2 0
2 12 1 0
13 12 1 6
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
13 18 1 0
17 18 1 0
M END