fragmenstein/demo/mpro_mols/Mpro-x0705.mol
x0705
RDKit 3D
19 20 0 0 0 0 0 0 0 0999 V2000
6.6430 -2.1210 24.1410 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1960 -2.4740 27.7420 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4890 -1.8190 26.2090 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5800 -2.3640 27.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2480 -3.3680 21.6840 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3270 -3.7360 19.6550 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 -3.1560 27.6250 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8920 -3.0540 27.0930 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1550 -2.1420 26.0840 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1240 -1.3500 25.6140 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8530 -1.4620 26.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5240 -2.0200 25.4780 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8470 -1.7290 23.4070 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3360 -2.8590 22.5240 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1080 -3.8200 22.4730 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5840 -2.6570 23.2830 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2800 -3.3830 20.3370 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5610 -2.9140 19.7020 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6250 -3.1150 17.9080 R 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0
4 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
4 11 1 0
10 11 2 0
1 12 1 0
3 12 2 0
9 12 1 0
1 13 1 0
5 14 1 0
13 14 1 0
5 15 1 0
1 16 1 0
15 16 1 0
5 17 1 0
6 17 2 0
17 18 1 0
18 19 1 0
M END