fragmenstein/demo/mpro_mols/Mpro-x10513.mol
RDKit 3D
21 23 0 0 0 0 0 0 0 0999 V2000
7.1690 -2.8440 21.2720 N 0 0 0 0 0 0 0 0 0 0 0 0
12.4080 -0.8000 22.4070 C 0 0 2 0 0 0 0 0 0 0 0 0
7.2290 -4.9880 24.2750 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3100 -1.9500 21.5400 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5410 0.2350 23.3260 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1880 -1.4600 22.3290 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6780 -3.1870 20.0600 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1250 -1.1200 23.1580 C 0 0 1 0 0 0 0 0 0 0 0 0
10.2970 -0.1040 24.0880 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4500 -3.8290 23.5310 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2780 -4.6490 25.4570 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4730 -2.7710 18.8490 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4830 -3.3140 22.4970 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1380 -5.3870 25.2400 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5110 -3.5000 24.7200 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5830 -1.2520 21.5760 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6160 -3.7570 19.9410 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7620 -1.7800 22.9980 C 0 0 2 0 0 0 0 0 0 0 0 0
11.4970 0.5770 24.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5940 -3.0720 23.7610 C 0 0 2 0 0 0 0 0 0 0 0 0
8.9420 -3.4040 18.5120 S 0 0 0 0 0 0 0 0 0 0 0 0
4 1 1 0
5 2 1 0
6 2 1 0
7 1 1 0
8 6 1 6
9 8 1 0
10 3 1 0
12 7 1 0
13 1 1 0
13 10 1 0
14 11 1 0
14 3 1 0
15 11 1 0
2 16 1 1
17 7 1 0
18 4 1 6
18 8 1 0
19 9 1 0
19 5 1 0
20 18 1 0
20 15 1 1
20 10 1 0
12 21 1 0
M END