fragmenstein/demo/mpro_mols/Mpro-x10371.mol
x10371
RDKit 3D
22 24 0 0 0 0 0 0 0 0999 V2000
6.4870 0.6930 17.4280 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7010 0.1220 21.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9330 1.3020 20.9190 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3530 -0.5110 20.8990 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5970 -0.7160 21.7570 N 0 0 0 0 0 0 0 0 0 0 0 0
12.9890 2.4010 23.3790 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6200 0.1770 19.7740 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8380 4.1520 21.6740 N 0 0 0 0 0 0 0 0 0 0 0 0
13.6600 6.3510 21.8360 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5120 0.9830 20.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8970 1.6410 18.9560 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4160 1.4640 17.6860 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0590 0.0650 18.4640 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9150 -0.4170 22.1770 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9110 -1.3750 22.0330 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2190 -1.0640 22.3660 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5430 0.1920 22.8550 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5480 1.1520 22.9800 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2730 3.5570 22.8880 C 0 0 2 0 0 0 0 0 0 0 0 0
12.7940 4.7820 23.6520 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1970 5.3000 22.2780 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2310 0.8500 22.6640 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 7 1 0
7 10 1 0
10 11 2 0
1 12 2 0
11 12 1 0
1 13 1 0
7 13 2 0
5 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
6 18 1 0
17 18 1 0
19 6 1 1
8 19 1 0
19 20 1 0
8 21 1 0
9 21 2 0
20 21 1 0
14 22 1 0
18 22 2 0
M END