fragmenstein/demo/mpro_mols/Mpro-x10478.mol
RDKit 3D
17 19 0 0 0 0 0 0 0 0999 V2000
9.7010 0.9020 21.2180 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2010 -0.1550 21.5950 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0310 -0.6410 21.1450 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2060 -0.0860 20.1410 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5920 -0.0650 18.8000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8300 0.4430 17.8250 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6380 0.9410 18.1730 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1660 0.9610 19.4700 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9530 0.4520 20.4950 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4930 0.5280 21.9290 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8810 -1.0540 22.6020 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3710 -0.7370 22.8790 C 0 0 1 0 0 0 0 0 0 0 0 0
11.7620 0.3840 23.8490 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5780 -0.3440 24.9070 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3570 -1.4000 24.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3970 -1.8240 23.0370 C 0 0 2 0 0 0 0 0 0 0 0 0
12.3620 -0.9830 21.7890 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 0
3 2 1 0
4 3 1 0
5 4 2 0
6 5 1 0
7 6 2 0
8 7 1 0
9 8 2 0
9 4 1 0
10 9 1 0
11 2 1 0
12 11 1 6
13 12 1 0
14 13 1 0
15 14 1 0
16 15 1 1
16 12 1 0
17 16 1 0
17 12 1 0
M END