fragmenstein/demo/mpro_mols/Mpro-x0830.mol
x0830
RDKit 3D
21 23 0 0 0 0 0 0 0 0999 V2000
6.8300 -2.1930 20.8050 N 0 0 0 0 0 0 0 0 0 0 0 0
8.2960 -3.0490 19.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9350 -3.4080 19.1080 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9030 -2.9000 19.6650 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7450 -2.1190 22.9570 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7820 -1.0850 20.9370 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0470 -1.4750 21.6760 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9780 -2.4580 23.6780 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0610 -1.4250 23.4790 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0820 -1.6350 22.5880 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0840 -0.6740 22.3700 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0440 0.5100 23.0290 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0010 0.7930 23.9400 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9390 2.0260 24.6270 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9260 2.2910 25.4900 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9350 1.3330 25.7420 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9620 0.1330 25.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9910 -0.1830 24.1720 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9280 -3.3070 22.7200 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6220 -2.9380 22.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9960 -3.2760 17.5100 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 6 1 0
5 7 1 0
6 7 1 0
5 8 1 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
9 18 1 0
13 18 2 0
17 18 1 0
5 19 1 0
1 20 1 0
19 20 1 0
2 21 1 0
M END