fragmenstein/demo/mpro_mols/Mpro-x0464.mol
x0464
RDKit 3D
15 16 0 0 0 0 0 0 0 0999 V2000
22.3370 15.0020 8.4520 C 0 0 0 0 0 0 0 0 0 0 0 0
21.2230 14.9100 7.4100 C 0 0 2 0 0 0 0 0 0 0 0 0
20.5140 13.5680 7.6580 C 0 0 1 0 0 0 0 0 0 0 0 0
19.1470 13.7530 7.4130 O 0 0 0 0 0 0 0 0 0 0 0 0
20.9970 12.4680 6.8600 C 0 0 0 0 0 0 0 0 0 0 0 0
22.3070 12.6320 6.2870 C 0 0 0 0 0 0 0 0 0 0 0 0
22.5310 13.9620 5.5830 C 0 0 0 0 0 0 0 0 0 0 0 0
21.7530 15.0900 6.0650 N 0 0 0 0 0 0 0 0 0 0 0 0
22.3980 16.1320 5.8830 C 0 0 0 0 0 0 0 0 0 0 0 0
21.5890 17.3910 5.5690 C 0 0 0 0 0 0 0 0 0 0 0 0
21.2210 17.6390 4.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
20.5070 18.7870 3.9340 C 0 0 0 0 0 0 0 0 0 0 0 0
20.1740 19.6930 4.9310 C 0 0 0 0 0 0 0 0 0 0 0 0
20.5490 19.4560 6.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
21.2670 18.3090 6.5660 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 1
2 3 1 0
3 4 1 6
3 5 1 0
5 6 1 0
6 7 1 0
2 8 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
10 15 1 0
14 15 2 0
M END