fragmenstein/demo/mpro_mols/Mpro-x0426.mol
x0426
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
1.4500 3.8040 25.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4510 4.5120 25.8600 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8560 4.0450 25.8940 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1740 2.8540 25.2610 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1830 2.1440 24.5950 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1320 2.6090 24.5670 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1890 1.7940 23.8220 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0590 0.6140 23.7660 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3270 2.4480 23.1840 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3350 1.6910 22.4420 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8400 1.6190 20.9960 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8410 1.1430 19.9400 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8530 0.2210 20.2060 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6990 -0.1470 19.1580 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5610 0.3540 17.9390 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6080 1.2200 17.6850 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7270 1.6440 18.6650 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7330 4.2910 25.1960 F 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
1 6 1 0
5 6 2 0
6 7 1 0
7 8 2 0
7 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
12 17 1 0
16 17 2 0
1 18 1 0
M END