fragmenstein/demo/mpro_mols/Mpro-x2052.mol
x2052
RDKit 3D
21 22 0 0 0 0 0 0 0 0999 V2000
7.0230 -3.2980 21.4810 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9110 -1.4410 25.1880 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6870 -1.3630 25.1510 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6930 -2.1830 24.1400 C 0 0 1 0 0 0 0 0 0 0 0 0
6.6690 -0.8760 26.1470 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9260 -4.6260 20.0270 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9580 -3.4560 23.6990 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4540 2.0070 28.4210 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5070 2.1590 30.5430 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7730 -4.1780 22.6300 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6070 -3.6320 20.2410 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9940 -2.6980 19.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7400 -2.0690 21.8530 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9720 -1.2870 22.9250 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2320 -0.0760 27.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4340 -0.5800 28.2430 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1690 0.1910 29.3590 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7250 1.4780 29.3980 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0470 3.4790 30.6590 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6940 1.2300 27.3570 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4360 -3.5330 18.6930 R 0 0 0 0 0 0 0 0 0 0 0 0
2 3 2 0
4 2 1 1
2 5 1 0
4 7 1 0
1 10 1 0
7 10 1 0
1 11 1 0
6 11 2 0
11 12 1 0
1 13 1 0
4 14 1 0
13 14 1 0
5 15 1 0
15 16 1 0
16 17 2 0
8 18 2 0
9 18 1 0
17 18 1 0
9 19 1 0
8 20 1 0
15 20 2 0
12 21 1 0
M END