fragmenstein/demo/mpro_mols/Mpro-x2754.mol
x2754
RDKit 3D
20 21 0 0 0 0 0 0 0 0999 V2000
6.6450 -4.0560 21.4610 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9860 -3.1070 25.2990 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7920 -2.9670 25.0900 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9080 -3.6050 24.2060 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5220 -2.8710 26.5290 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6930 -4.8960 19.6130 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2250 -4.6910 23.3630 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2020 -5.1790 22.2990 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3630 -4.0290 20.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9230 -2.8760 19.3410 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3020 -2.9780 22.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3780 -2.4460 23.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7400 -2.1580 27.5340 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8400 -3.2760 26.9200 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0880 -4.6070 27.2550 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3920 -5.0360 27.4420 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4430 -4.1500 27.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1940 -2.8180 27.0280 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8960 -2.3720 26.8370 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4850 -3.3810 18.5710 R 0 0 0 0 0 0 0 0 0 0 0 0
2 3 2 0
4 2 1 1
2 5 1 0
4 7 1 0
1 8 1 0
7 8 1 0
1 9 1 0
6 9 2 0
9 10 1 0
1 11 1 0
4 12 1 0
11 12 1 0
5 13 1 0
5 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
14 19 1 0
18 19 2 0
10 20 1 0
M END