fragmenstein/demo/mpro_mols/Mpro-x1380.mol
x1380
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
6.8830 -4.2940 21.3890 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9650 -3.0530 19.2640 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5940 -4.9370 19.6470 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4250 -4.1710 20.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4270 -3.4900 26.6980 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8010 -2.7800 25.3070 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8060 -3.3890 22.0890 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1240 -2.7890 23.3020 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5900 -3.8930 24.2230 C 0 0 2 0 0 0 0 0 0 0 0 0
5.6790 -4.8190 23.4340 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4160 -5.3890 22.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8840 -3.3440 25.4430 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8230 -3.8440 26.9840 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9040 -5.0630 27.8750 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1850 -4.7920 29.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7440 -4.4020 28.8990 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6480 -3.2440 27.9200 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5600 -3.4960 18.5160 R 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0
2 4 1 0
3 4 2 0
1 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
1 11 1 0
10 11 1 0
5 12 1 0
6 12 2 0
9 12 1 1
5 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
5 17 1 0
16 17 1 0
2 18 1 0
M END