fragmenstein/demo/mpro_mols/Mpro-x1358.mol
x1358
RDKit 3D
20 21 0 0 0 0 0 0 0 0999 V2000
6.9200 -2.4430 25.9080 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9510 -0.2750 26.5210 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3400 -0.2440 25.3110 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8200 0.7440 27.4670 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8190 -4.0980 21.0790 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8350 -3.2650 25.4890 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4720 0.6430 28.6840 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5820 -4.6180 19.2680 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2540 -0.4560 28.9710 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3950 -1.4740 28.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7330 -1.3930 26.8310 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0130 -3.1320 25.1770 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5980 -3.7400 23.9160 C 0 0 1 0 0 0 0 0 0 0 0 0
5.6100 -4.6150 23.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2760 -5.1800 21.9100 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7670 -3.2270 21.7780 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1170 -2.6340 22.9960 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4450 -3.9260 19.7950 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1450 -2.8550 19.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7290 -3.4410 18.3300 R 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0
2 4 2 0
4 7 1 0
7 9 2 0
9 10 1 0
1 11 1 0
2 11 1 0
10 11 2 0
1 12 1 0
6 12 2 0
13 12 1 1
13 14 1 0
5 15 1 0
14 15 1 0
5 16 1 0
13 17 1 0
16 17 1 0
5 18 1 0
8 18 2 0
18 19 1 0
19 20 1 0
M END