fragmenstein/demo/mpro_mols/Mpro-x10473.mol
RDKit 3D
16 17 0 0 0 0 0 0 0 0999 V2000
9.4990 1.0660 21.0970 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0660 0.0080 21.5430 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7900 -0.7390 22.6360 C 0 0 1 0 0 0 0 0 0 0 0 0
11.2350 -1.0020 22.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1920 -1.5680 23.2250 C 0 0 1 0 0 0 0 0 0 0 0 0
13.6140 -1.8030 22.8500 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2680 -0.6910 23.7810 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7430 0.1170 23.9040 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9340 -0.5880 21.1130 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0890 -0.0730 20.1020 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8670 0.5270 20.4520 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4240 0.6660 21.8870 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0920 1.0470 19.4230 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5420 0.9640 18.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7060 0.4020 17.7750 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4560 -0.1070 18.7560 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 1 6
6 5 1 0
7 6 1 0
7 5 1 0
3 8 1 1
9 2 1 0
10 9 1 0
11 10 2 0
12 11 1 0
13 11 1 0
14 13 2 0
15 14 1 0
16 15 2 0
16 10 1 0
M END