fragmenstein/demo/mpro_mols/Mpro-x0395.mol
x0395
RDKit 3D
14 15 0 0 0 0 0 0 0 0999 V2000
9.3090 -5.4020 26.2700 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0680 -4.0250 25.6350 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4980 -2.9500 26.2850 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4110 -1.7730 25.3930 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9310 -2.0530 24.1410 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9990 -1.0500 22.9730 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1210 -0.4790 22.8550 N 0 0 0 0 0 0 0 0 0 0 0 0
10.4610 0.3230 23.7910 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7810 1.2260 23.3690 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8090 0.4740 22.9000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4890 -0.7970 22.1180 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2620 -1.4540 22.4090 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4550 -3.6100 24.0920 S 0 0 0 0 0 0 0 0 0 0 0 0
13.4780 -1.5170 21.5690 F 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 2 0
7 12 1 0
11 12 1 0
2 13 1 0
5 13 1 0
11 14 1 0
M END