fragmenstein/demo/mpro_mols/Mpro-x0692.mol
x0692
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
8.2960 -2.1390 23.1330 N 0 0 0 0 0 0 0 0 0 0 0 0
11.0930 2.2310 24.6290 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6520 -4.1530 19.6610 O 0 0 0 0 0 0 0 0 0 0 0 0
11.3290 0.8440 24.1040 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6510 -2.5000 20.8350 N 0 0 0 0 0 0 0 0 0 0 0 0
12.5090 0.5110 23.4560 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7190 -0.7630 22.9590 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7450 -1.7320 23.1140 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5660 -1.4370 23.7780 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4800 -2.4690 23.9300 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4380 -3.3150 22.9800 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2240 -2.9930 22.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4630 -1.2950 20.9810 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6780 -1.6060 21.8210 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3530 -3.1470 19.6850 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9710 -2.6350 18.4140 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3660 -0.1430 24.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6770 -3.2470 18.3180 R 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0
4 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
1 10 1 0
9 10 1 0
1 11 1 0
5 12 1 0
11 12 1 0
5 13 1 0
1 14 1 0
13 14 1 0
3 15 2 0
5 15 1 0
15 16 1 0
4 17 1 0
9 17 2 0
16 18 1 0
M END