fragmenstein/demo/mpro_mols/Mpro-x0731.mol
x0731
RDKit 3D
20 21 0 0 0 0 0 0 0 0999 V2000
5.9950 -5.2600 24.2630 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9470 -1.0380 25.7830 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3930 -4.7580 26.6340 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0380 -2.0700 25.7830 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8250 -5.1400 21.5840 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7150 -6.4600 25.9960 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2820 -1.7880 26.3230 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5580 -5.1020 19.7150 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2970 -2.7270 26.3280 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0670 -3.9740 25.7690 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8290 -4.2820 25.2270 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8320 -3.3260 25.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2150 -5.9360 23.2160 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1550 -6.3300 22.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5720 -4.4180 22.6190 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6530 -4.0440 23.7540 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4310 -4.5990 20.4100 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0880 -3.3160 19.9760 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3450 -5.1970 25.7660 S 0 0 2 0 0 0 0 0 0 0 0 0
8.3400 -3.4390 18.6650 R 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0
4 7 2 0
7 9 1 0
9 10 2 0
10 11 1 0
4 12 1 0
11 12 2 0
1 13 1 0
5 14 1 0
13 14 1 0
5 15 1 0
1 16 1 0
15 16 1 0
5 17 1 0
8 17 2 0
17 18 1 0
1 19 1 0
3 19 2 0
6 19 2 0
19 10 1 6
18 20 1 0
M END