fragmenstein/demo/mpro_mols/Mpro-x10862.mol
RDKit 3D
26 28 0 0 0 0 0 0 0 0999 V2000
8.3370 -0.2310 21.9250 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7370 -0.1050 21.5500 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5900 -0.2400 24.3810 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1870 -0.4840 22.4640 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1840 1.6000 20.6280 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4680 2.1670 20.5260 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9230 0.4570 23.0710 C 0 0 1 0 0 0 0 0 0 0 0 0
6.0360 1.0180 18.2290 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2010 0.8330 22.6760 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0700 -0.1080 19.2560 C 0 0 1 0 0 0 0 0 0 0 0 0
7.4960 -0.4870 19.6760 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7290 0.5400 22.2290 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4290 0.5770 22.9510 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5560 -0.3360 22.3250 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0810 1.6530 21.7520 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3380 0.0290 23.4280 F 0 0 0 0 0 0 0 0 0 0 0 0
5.1120 0.3920 20.3050 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0690 1.7600 23.2960 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5620 -1.4330 24.5370 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0720 1.8940 18.6010 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2030 -0.1710 24.6400 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7850 1.1360 17.2660 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4890 1.5390 19.8170 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0260 0.3930 20.7860 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5690 -1.7540 21.5680 Br 0 0 0 0 0 0 0 0 0 0 0 0
12.4420 1.8900 23.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
7 3 1 1
7 1 1 0
10 8 1 0
10 11 1 1
12 2 2 0
13 7 1 0
13 4 2 0
14 9 2 0
14 4 1 0
15 6 2 0
15 12 1 0
16 12 1 0
17 2 1 0
17 10 1 0
18 13 1 0
20 8 1 0
21 19 1 0
21 3 1 0
22 8 2 0
23 20 1 0
23 17 2 0
23 6 1 0
24 11 1 0
24 5 2 0
24 1 1 0
25 14 1 0
26 18 2 0
26 9 1 0
M END