fragmenstein/demo/mpro_mols/Mpro-x0387.mol
x0387
RDKit 3D
13 14 0 0 0 0 0 0 0 0999 V2000
9.2580 -4.2490 27.8140 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1370 -4.8480 26.5470 C 0 0 2 0 0 0 0 0 0 0 0 0
10.3770 -4.6970 25.8280 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6150 -3.2890 25.2720 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5060 -2.7160 24.5490 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6630 -1.5280 24.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0400 -1.1700 23.6690 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9450 -0.0600 24.1970 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1560 -0.0090 23.4300 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1250 -1.1410 22.2750 S 0 0 0 0 0 0 0 0 0 0 0 0
11.6820 -1.8130 22.5620 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2910 -2.8630 25.3310 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0360 -4.2980 25.7990 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 1
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 2 0
9 10 1 0
7 11 2 0
10 11 1 0
5 12 1 0
2 13 1 0
12 13 1 0
M END