fragmenstein/demo/mpro_mols/Mpro-x10019.mol
x10019
RDKit 3D
22 24 0 0 0 0 0 0 0 0999 V2000
6.9580 0.6060 17.6630 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1840 0.4320 21.5930 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8410 0.8100 20.8600 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8050 0.4450 20.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9090 -0.3530 21.1090 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1180 0.9930 19.1410 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1340 -1.6440 23.2790 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7230 1.0500 17.9010 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8280 -5.1710 25.4410 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6280 0.0840 18.6980 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1090 -0.0250 19.9900 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2320 -0.1670 21.2850 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9280 -1.2040 22.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3610 -2.7980 23.9780 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4590 -3.5980 23.7430 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6400 -4.7530 24.4870 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7290 -4.3980 25.7100 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8330 -4.8310 26.7140 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7020 -4.1130 26.9860 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4190 -2.9460 26.2900 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2640 -2.4920 25.3210 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4470 -3.2040 25.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0
4 6 2 0
1 8 2 0
6 8 1 0
1 10 1 0
4 11 1 0
5 11 1 0
10 11 2 0
3 12 2 0
5 12 1 0
7 13 1 0
12 13 1 0
7 14 1 0
14 15 2 0
9 16 2 0
15 16 1 0
9 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
20 21 1 0
14 22 1 0
17 22 1 0
21 22 2 0
M END