fragmenstein/demo/mpro_mols/Mpro-x2600.mol
x2600
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
14.3200 -1.8390 20.5250 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4480 0.1410 21.5520 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0540 1.0900 21.0550 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9330 -0.5600 22.8060 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2980 -0.3550 21.0510 N 0 0 0 0 0 0 0 0 0 0 0 0
10.4240 -0.4130 22.9990 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4650 0.5840 17.5900 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9360 0.3300 24.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3030 0.4900 24.2180 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1800 -0.0920 23.3190 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6820 -0.8350 22.2510 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5810 -1.3980 21.2770 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3070 -1.0010 22.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5700 0.1510 19.9550 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4030 0.8810 20.1460 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7820 1.4630 19.0550 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3480 1.2890 17.8040 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0530 0.0230 18.6530 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 2 0
2 4 1 0
2 5 1 0
4 6 1 0
6 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
1 12 3 0
11 12 1 0
6 13 1 0
11 13 2 0
5 14 1 0
14 15 1 0
15 16 2 0
7 17 2 0
16 17 1 0
7 18 1 0
14 18 2 0
M END