fragmenstein/demo/mpro_mols/Mpro-6m2n.mol
RDKit 3D
20 22 0 0 0 0 0 0 0 0999 V2000
11.3190 -3.4180 24.9280 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3000 -3.7820 25.8300 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3260 -1.7880 23.3300 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2010 -0.5520 22.8120 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1620 -0.2130 21.8810 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1830 -1.1600 20.6310 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6460 -3.6500 21.8320 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0450 0.9350 21.4040 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2630 -1.3050 21.5350 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4510 -2.5640 22.1070 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5980 -3.4800 20.9430 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7830 -4.5180 20.6400 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3710 -2.2330 20.3430 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3400 -2.0640 19.4640 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9530 0.0350 20.0450 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4760 -2.7960 22.9960 O 0 0 0 0 0 0 0 0 0 0 0 0
11.3710 -2.1810 24.2860 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4300 -1.3220 24.5810 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4060 -1.6980 25.4830 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3410 -2.9240 26.1050 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 0
4 3 2 0
5 4 1 0
8 5 2 0
9 6 2 0
9 5 1 0
10 9 1 0
10 7 2 0
11 7 1 0
12 11 1 0
13 11 2 0
13 6 1 0
14 13 1 0
15 6 1 0
16 10 1 0
16 3 1 0
17 3 1 0
17 1 1 0
18 17 2 0
19 18 1 0
20 19 2 0
20 2 1 0
M END