fragmenstein/demo/mpro_mols/Mpro-x3298.mol
x3298
RDKit 3D
28 30 0 0 0 0 0 0 0 0999 V2000
7.6030 1.9220 22.5390 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5740 -0.1160 21.1490 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6780 -0.5950 22.1520 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1530 1.2600 21.4890 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2050 1.4060 24.6700 N 0 0 0 0 0 0 0 0 0 0 0 0
9.1400 1.6640 20.8820 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1730 3.0330 23.2080 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7350 0.4710 17.4950 N 0 0 0 0 0 0 0 0 0 0 0 0
11.2230 1.4940 26.1010 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0400 4.3400 22.7350 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8700 -0.5760 25.9890 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8190 5.3510 23.2760 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7300 5.0740 24.2770 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8540 3.7860 24.7760 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0530 2.7620 24.2660 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3950 0.0180 23.9810 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5740 0.6750 23.6630 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3170 0.2530 22.5750 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8540 -0.8110 21.8420 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6830 -1.4630 22.1240 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9400 -1.0400 23.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7820 0.1970 19.8890 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5010 0.7310 19.9610 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8510 1.1430 18.8110 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5100 1.0000 17.6050 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3370 0.0750 18.6220 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6000 -1.2460 20.7950 F 0 0 0 0 0 0 0 0 0 0 0 0
10.4320 0.5730 25.3440 S 0 0 1 0 0 0 0 0 0 0 0 0
2 3 1 6
1 4 1 0
2 4 1 0
4 6 2 0
1 7 1 0
7 10 2 0
10 12 1 0
12 13 2 0
13 14 1 0
5 15 1 0
7 15 1 0
14 15 2 0
16 17 2 0
17 18 1 0
18 19 2 0
19 20 1 0
16 21 1 0
20 21 2 0
2 22 1 0
22 23 1 0
23 24 2 0
8 25 2 0
24 25 1 0
8 26 1 0
22 26 2 0
19 27 1 0
28 5 1 6
9 28 2 0
11 28 2 0
16 28 1 0
M END