fragmenstein/demo/mpro_mols/Mpro-x10314.mol
x10314
RDKit 3D
19 20 0 0 0 0 0 0 0 0999 V2000
6.9200 0.4510 17.7140 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8340 1.0670 21.4390 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6090 0.5420 20.8670 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5490 0.7870 20.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4940 0.0080 21.3450 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9710 1.1330 18.9260 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5340 0.3490 24.1100 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6870 0.9650 17.7560 C 0 0 0 0 0 0 0 0 0 0 0 0
14.6600 -1.8000 20.3550 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4880 0.1310 18.8800 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8640 0.3190 20.1180 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8100 -0.1140 21.5200 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2480 -0.9180 22.7280 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7370 -0.7490 22.9310 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2410 0.0190 23.9700 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3840 -0.0930 23.1740 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9920 -0.8970 22.1040 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9370 -1.3880 21.1360 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6470 -1.2370 21.9990 C 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0
4 6 2 0
1 8 2 0
6 8 1 0
1 10 1 0
4 11 1 0
5 11 1 0
10 11 2 0
3 12 2 0
5 12 1 0
12 13 1 0
13 14 1 0
7 15 2 0
14 15 1 0
7 16 1 0
16 17 2 0
9 18 3 0
17 18 1 0
14 19 2 0
17 19 1 0
M END