fragmenstein/demo/mpro_mols/Mpro-x0194.mol
x0194
RDKit 3D
17 18 0 0 0 0 0 0 0 0999 V2000
24.7800 -14.6450 24.8860 C 0 0 0 0 0 0 0 0 0 0 0 0
23.9040 -14.9780 26.0980 C 0 0 0 0 0 0 0 0 0 0 0 0
23.7290 -14.1750 26.9510 O 0 0 0 0 0 0 0 0 0 0 0 0
23.2410 -16.2580 26.2140 N 0 0 0 0 0 0 0 0 0 0 0 0
23.4310 -17.3080 25.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
24.6850 -17.8910 25.2270 C 0 0 0 0 0 0 0 0 0 0 0 0
24.9620 -18.9260 24.3630 C 0 0 0 0 0 0 0 0 0 0 0 0
23.9960 -19.3760 23.4800 C 0 0 0 0 0 0 0 0 0 0 0 0
24.3820 -20.4580 22.6870 O 0 0 0 0 0 0 0 0 0 0 0 0
24.1970 -20.5890 21.3040 C 0 0 0 0 0 0 0 0 0 0 0 0
24.8440 -19.8180 20.4420 N 0 0 0 0 0 0 0 0 0 0 0 0
24.6900 -20.0210 19.1460 C 0 0 0 0 0 0 0 0 0 0 0 0
23.8590 -21.0430 18.6840 C 0 0 0 0 0 0 0 0 0 0 0 0
23.2170 -21.8440 19.6280 C 0 0 0 0 0 0 0 0 0 0 0 0
23.4280 -21.5920 20.9020 N 0 0 0 0 0 0 0 0 0 0 0 0
22.7220 -18.8190 23.5070 C 0 0 0 0 0 0 0 0 0 0 0 0
22.4340 -17.7740 24.3830 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 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
8 16 1 0
5 17 1 0
16 17 2 0
M END