fragmenstein/demo/mpro_mols/Mpro-x10559.mol
RDKit 3D
17 19 0 0 0 0 0 0 0 0999 V2000
9.1390 1.1260 21.0330 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5830 0.1560 21.5280 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0860 -0.4980 22.7900 C 0 0 2 0 0 0 0 0 0 0 0 0
10.3220 0.1540 23.4620 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1830 -0.8390 22.6580 C 0 0 1 0 0 0 0 0 0 0 0 0
12.3120 -1.3480 23.4020 C 0 0 2 0 0 0 0 0 0 0 0 0
13.5070 -0.4730 23.6100 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6030 -1.6610 22.7120 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9540 -1.7710 22.6120 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4670 -0.4000 21.0210 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7370 0.1290 19.9410 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5410 0.8280 20.1890 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0360 1.0750 21.5880 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1940 0.0190 18.6280 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5590 0.5610 17.5840 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4140 1.2060 17.8270 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8710 1.3520 19.0910 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 0
3 2 1 6
4 3 1 0
5 4 1 1
6 5 1 0
6 7 1 1
8 7 1 0
8 6 1 0
9 3 1 0
9 5 1 0
10 2 1 0
11 10 1 0
12 11 2 0
13 12 1 0
14 11 1 0
15 14 2 0
16 15 1 0
17 16 2 0
17 12 1 0
M END