fragmenstein/demo/mpro_mols/Mpro-x0736.mol
x0736
RDKit 3D
17 18 0 0 0 0 0 0 0 0999 V2000
6.9330 -2.9520 21.0970 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4080 -2.5670 18.6860 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8580 -4.1560 19.5470 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6820 -3.2880 19.8130 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8850 -2.8140 23.7810 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1310 -2.1880 25.0550 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2760 -3.6830 22.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4210 -0.0190 25.2990 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2490 -4.0360 23.2880 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6510 -2.1660 22.7140 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7480 -1.8140 21.5470 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3330 -2.1160 24.8060 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1750 -1.3160 25.6630 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8050 -1.6000 26.8240 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4930 -0.4290 27.2210 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2310 0.5150 26.2540 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9870 -3.3600 18.2730 R 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0
2 4 1 0
3 4 2 0
1 7 1 0
5 9 1 0
7 9 1 0
5 10 1 0
1 11 1 0
10 11 1 0
5 12 1 0
6 12 2 0
8 13 1 0
12 13 1 0
13 14 2 0
14 15 1 0
8 16 1 0
15 16 2 0
2 17 1 0
M END