fragmenstein/demo/mpro_mols/Mpro-x0981.mol
x0981
RDKit 3D
16 15 0 0 0 0 0 0 0 0999 V2000
1.3040 -8.6590 21.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7390 -7.2190 22.5110 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6910 -6.4860 21.9460 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5470 -7.3690 21.9210 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3620 -8.2380 26.2530 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8140 -8.4450 24.5640 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0460 -6.0560 23.3430 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3280 -6.0750 22.3540 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7650 -4.4840 23.8330 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7430 -6.3250 24.8200 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0120 -7.7670 25.2000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4610 -5.4840 23.1880 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5070 -5.3830 21.8300 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5350 -5.2480 20.3150 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7100 -6.0050 19.6200 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6590 -4.1760 19.4220 R 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0
2 4 1 0
3 4 2 0
2 7 1 0
7 10 1 1
5 11 1 0
6 11 2 0
10 11 1 0
7 12 1 0
8 12 1 0
9 12 2 0
8 13 1 0
13 14 1 0
14 15 2 0
14 16 1 0
M END