fragmenstein/demo/mpro_mols/Mpro-x10338.mol
RDKit 3D
21 23 0 0 0 0 0 0 0 0999 V2000
13.8540 -1.8330 21.2640 Cl 0 0 0 0 0 0 0 0 0 0 0 0
12.7040 -0.9920 22.2500 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1490 0.0020 23.1040 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2360 0.6930 23.8800 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3730 -1.3260 22.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4540 -0.6120 22.9020 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8970 0.3860 23.7470 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8320 1.0540 24.3150 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6470 0.2250 24.1410 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9490 -0.6360 22.9160 C 0 0 1 0 0 0 0 0 0 0 0 0
8.5030 0.0570 21.6310 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0390 1.0860 21.2190 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4600 -0.5250 21.0350 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7560 0.0610 19.9710 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5680 0.7530 20.2400 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0620 0.9380 21.6510 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9250 1.7920 21.7320 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2170 -0.0080 18.6620 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5650 0.5400 17.6360 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4230 1.1850 17.8980 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8890 1.3080 19.1640 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0
3 2 2 0
4 3 1 0
5 2 1 0
6 5 2 0
7 6 1 0
7 4 2 0
8 7 1 0
9 8 1 0
10 9 1 0
10 6 1 0
10 11 1 6
12 11 2 0
13 11 1 0
14 13 1 0
15 14 2 0
16 15 1 0
17 16 1 0
18 14 1 0
19 18 2 0
20 19 1 0
21 20 2 0
21 15 1 0
M END