fragmenstein/demo/mpro_mols/Mpro-x1311.mol
x1311
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
5.7010 -3.9740 20.0470 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6340 -4.2270 20.7990 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0540 -3.9260 20.3830 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4330 -4.8000 22.0320 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4770 -4.8740 23.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4750 -5.8420 22.9400 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4480 -5.9180 23.9240 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4240 -5.0610 25.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4270 -4.1190 25.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4530 -4.0190 24.1220 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1210 -5.3420 22.3650 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0450 -6.8270 22.0640 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0240 -7.4040 22.6720 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7400 -6.6360 24.2140 S 0 0 2 0 0 0 0 0 0 0 0 0
4.3110 -7.4240 25.2750 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3580 -6.2580 24.3410 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7580 -5.2190 23.8580 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1840 -3.5200 18.6200 R 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
2 4 1 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
5 10 1 0
9 10 2 0
11 4 1 1
11 12 1 0
12 13 2 0
14 13 1 6
14 15 2 0
14 16 2 0
11 17 1 0
14 17 1 0
3 18 1 0
M END