fragmenstein/demo/mpro_mols/Mpro-x0967.mol
x0967
RDKit 3D
20 20 0 0 0 0 0 0 0 0999 V2000
7.6700 4.8890 22.5810 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9230 2.5040 22.4280 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2460 3.3020 23.6580 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2240 3.5100 22.9470 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0250 -0.9340 22.6120 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6880 0.7520 16.8910 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7930 1.1340 22.9030 C 0 0 1 0 0 0 0 0 0 0 0 0
9.8320 0.9390 21.6650 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4620 0.4910 22.4800 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2250 0.5500 20.9920 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3420 1.4670 20.4400 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1440 1.5440 19.0720 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8390 0.6890 18.2350 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7270 -0.2260 18.7630 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9100 -0.2910 20.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9840 0.3670 22.3450 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9210 -1.8160 21.8930 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3010 -1.6090 22.3380 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4400 -1.6500 22.7420 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1350 -1.9620 23.6300 Br 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 9 1 6
9 10 1 0
10 11 2 0
11 12 1 0
6 13 1 0
12 13 2 0
13 14 1 0
10 15 1 0
14 15 2 0
5 16 1 0
7 16 1 0
8 16 2 0
5 17 1 0
17 18 1 0
18 19 3 0
19 20 1 0
M END