fragmenstein/demo/mpro_mols/Mpro-x0978.mol
x0978
RDKit 3D
15 14 0 0 0 0 0 0 0 0999 V2000
2.0000 -5.5520 23.0270 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0540 -7.9300 24.7740 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4340 -7.7930 24.6370 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2400 -7.0280 24.5040 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3630 -5.9120 22.0080 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8050 -6.9980 21.7740 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2000 -6.3780 23.1070 C 0 0 2 0 0 0 0 0 0 0 0 0
4.4970 -4.3910 23.4360 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8730 -5.9430 22.4060 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 -5.0110 22.5230 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4280 -5.4830 22.8770 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5270 -5.1030 21.6200 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6690 -4.6030 20.0980 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6320 -4.8450 19.4810 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0150 -3.8440 19.0520 R 0 0 0 0 0 0 0 0 0 0 0 0
4 2 1 6
3 4 1 0
7 1 1 1
4 7 1 0
1 9 1 0
6 9 2 0
9 10 1 0
5 11 1 0
7 11 1 0
8 11 2 0
5 12 1 0
12 13 1 0
13 14 2 0
13 15 1 0
M END