fragmenstein/demo/mpro_mols/Mpro-x1375.mol
x1375
RDKit 3D
19 20 0 0 0 0 0 0 0 0999 V2000
5.8830 -4.7330 20.0990 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6650 -4.3420 20.9570 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9650 -3.6760 20.5630 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4060 -4.5010 22.3010 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4790 -4.5310 23.2540 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9460 -3.3500 23.8250 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9740 -3.3910 24.7550 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5070 -4.6060 25.0880 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0720 -5.7830 24.5490 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0420 -5.7470 23.6250 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0360 -4.6990 22.7770 C 0 0 2 0 0 0 0 0 0 0 0 0
4.8790 -4.3370 24.2540 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1210 -5.1700 24.9610 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9670 -6.7240 24.1800 S 0 0 2 0 0 0 0 0 0 0 0 0
2.5820 -7.0890 24.0520 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8470 -7.6840 24.7920 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6220 -6.1720 22.6180 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5210 -4.6470 25.9920 F 0 0 0 0 0 0 0 0 0 0 0 0
8.2410 -3.4420 18.7730 R 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
2 4 1 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
5 10 1 0
9 10 2 0
11 4 1 1
11 12 1 0
12 13 2 0
14 13 1 1
14 15 2 0
14 16 2 0
11 17 1 0
14 17 1 0
8 18 1 0
3 19 1 0
M END