fragmenstein/demo/mpro_mols/Mpro-x1374.mol
x1374
RDKit 3D
19 20 0 0 0 0 0 0 0 0999 V2000
10.5320 -4.3800 25.8660 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4340 -4.4250 24.8680 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7580 -5.6050 24.6380 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7410 -5.6800 23.7110 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3830 -4.5430 22.9910 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3170 -4.6170 22.0400 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5490 -4.3180 20.7310 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7520 -4.6130 19.8520 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8350 -3.5850 20.4220 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 -5.0200 22.5150 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7910 -4.5170 23.9380 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1670 -5.3620 24.7500 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8250 -6.8840 23.9650 S 0 0 2 0 0 0 0 0 0 0 0 0
2.4410 -6.9590 23.5780 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3590 -7.9690 24.7430 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8460 -6.5470 22.5450 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0480 -3.3400 23.2190 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0740 -3.2990 24.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1160 -3.2930 18.6540 R 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 1 0
7 8 2 0
7 9 1 0
10 6 1 1
10 11 1 0
11 12 2 0
13 12 1 1
13 14 2 0
13 15 2 0
10 16 1 0
13 16 1 0
5 17 1 0
2 18 1 0
17 18 2 0
9 19 1 0
M END