fragmenstein/demo/mpro_mols/Mpro-x10324.mol
x10324
RDKit 3D
22 25 0 0 0 0 0 0 0 0999 V2000
7.5340 -0.6510 20.5720 N 0 0 0 0 0 0 0 0 0 0 0 0
12.6850 -0.9890 22.3870 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8120 0.9130 24.6520 O 0 0 0 0 0 0 0 0 0 0 0 0
13.9210 -1.7800 21.4430 Cl 0 0 0 0 0 0 0 0 0 0 0 0
13.0530 -0.0720 23.3460 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6910 -0.1220 18.2100 N 0 0 0 0 0 0 0 0 0 0 0 0
9.1470 0.8930 20.9810 O 0 0 0 0 0 0 0 0 0 0 0 0
12.0670 0.5510 24.0980 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9060 0.6120 17.3330 N 0 0 0 0 0 0 0 0 0 0 0 0
10.7270 0.2610 23.8560 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9390 0.6330 19.3090 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4270 0.9260 24.2090 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9640 -0.4240 23.7220 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8880 -0.9120 22.5780 C 0 0 1 0 0 0 0 0 0 0 0 0
8.5590 -0.1390 21.3000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0920 -0.0930 19.3870 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8740 1.0360 18.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0310 0.9730 20.4150 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5050 1.9810 21.4020 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4200 2.3280 20.4350 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3540 -0.6570 22.8700 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3600 -1.2920 22.1440 C 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0
2 5 2 0
5 8 1 0
6 9 1 0
3 10 1 0
8 10 2 0
3 12 1 0
12 13 1 0
13 14 1 0
1 15 1 0
7 15 2 0
14 15 1 6
1 16 1 0
6 16 2 0
11 16 1 0
9 17 2 0
11 17 1 0
18 11 1 1
18 19 1 0
18 20 1 0
19 20 1 0
10 21 1 0
14 21 1 0
2 22 1 0
21 22 2 0
M END