fragmenstein/demo/mpro_mols/Mpro-x10377.mol
x10377
RDKit 3D
23 25 0 0 0 0 0 0 0 0999 V2000
7.4820 -0.6340 20.9410 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9250 -2.5760 22.7900 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3560 0.6640 20.9860 O 0 0 0 0 0 0 0 0 0 0 0 0
14.0410 -1.9600 20.9850 Cl 0 0 0 0 0 0 0 0 0 0 0 0
9.1850 -1.0640 22.6650 C 0 0 2 0 0 0 0 0 0 0 0 0
6.5960 0.4300 17.5120 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7060 -0.2780 21.4350 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2290 1.0710 21.4330 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7940 -0.0210 19.8620 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9080 1.3030 21.6800 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2080 -0.1630 18.5410 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5290 1.1900 17.7770 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0210 1.4000 19.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6760 0.7910 20.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9810 1.2080 22.5560 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1290 1.5420 23.5670 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8680 1.5850 22.9770 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6780 -0.7800 22.7980 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1470 0.2110 23.6510 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4900 0.5560 23.6640 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3870 -0.0940 22.8290 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9210 -1.1070 22.0170 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5870 -1.4630 21.9940 C 0 0 0 0 0 0 0 0 0 0 0 0
5 2 1 6
1 7 1 0
3 7 2 0
5 7 1 0
1 9 1 0
8 10 1 0
6 11 2 0
9 11 1 0
6 12 1 0
12 13 2 0
8 14 1 0
9 14 2 0
13 14 1 0
8 15 1 0
15 16 2 0
10 17 2 0
16 17 1 0
5 18 1 0
18 19 2 0
19 20 1 0
20 21 2 0
4 22 1 0
21 22 1 0
18 23 1 0
22 23 2 0
M END