fragmenstein/demo/mpro_mols/Mpro-x10334.mol
x10334
RDKit 3D
19 20 0 0 0 0 0 0 0 0999 V2000
6.3080 0.5590 17.5910 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0200 1.3170 21.6290 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0400 0.7870 21.0290 O 0 0 0 0 0 0 0 0 0 0 0 0
13.7970 -2.0050 21.2330 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5.4730 1.0370 20.2190 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1740 -0.5240 21.0120 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8790 1.6840 19.1440 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3210 1.4220 17.8680 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9040 -0.0910 18.5980 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9950 -1.0490 18.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5050 0.1340 19.9330 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3860 -0.1470 21.4900 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8930 -0.9790 22.6520 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3730 -0.7830 22.8900 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8290 0.1160 23.8450 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1800 0.4040 23.9620 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0990 -0.2110 23.1270 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6450 -1.1380 22.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3020 -1.4320 22.0830 C 0 0 0 0 0 0 0 0 0 0 0 0
2 5 1 0
5 7 2 0
1 8 2 0
7 8 1 0
1 9 1 0
9 10 1 0
5 11 1 0
6 11 1 0
9 11 2 0
3 12 2 0
6 12 1 0
12 13 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
4 18 1 0
17 18 1 0
14 19 1 0
18 19 2 0
M END