fragmenstein/demo/mpro_mols/Mpro-x2929.mol
x2929
RDKit 3D
21 23 0 0 0 0 0 0 0 0999 V2000
22.7730 5.2700 23.7280 N 0 0 0 0 0 0 0 0 0 0 0 0
22.7730 4.7110 24.9290 C 0 0 0 0 0 0 0 0 0 0 0 0
21.9100 4.9460 25.7760 O 0 0 0 0 0 0 0 0 0 0 0 0
23.8830 3.7200 25.2040 C 0 0 2 0 0 0 0 0 0 0 0 0
23.8530 1.3780 25.8640 N 0 0 0 0 0 0 0 0 0 0 0 0
23.4780 2.3070 24.7900 C 0 0 0 0 0 0 0 0 0 0 0 0
21.0930 -1.7820 25.5350 N 0 0 0 0 0 0 0 0 0 0 0 0
24.3500 0.0950 25.3630 C 0 0 0 0 0 0 0 0 0 0 0 0
23.1850 -0.7590 24.9350 C 0 0 0 0 0 0 0 0 0 0 0 0
22.9100 -0.9900 23.6020 C 0 0 0 0 0 0 0 0 0 0 0 0
21.7250 -1.5970 23.2430 C 0 0 0 0 0 0 0 0 0 0 0 0
20.8480 -1.9660 24.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
22.2470 -1.1910 25.8550 C 0 0 0 0 0 0 0 0 0 0 0 0
24.8040 2.1250 26.6930 C 0 0 0 0 0 0 0 0 0 0 0 0
24.1660 3.5110 26.7170 C 0 0 1 0 0 0 0 0 0 0 0 0
25.0170 4.5650 27.3880 C 0 0 0 0 0 0 0 0 0 0 0 0
24.9980 4.7040 28.7680 C 0 0 0 0 0 0 0 0 0 0 0 0
25.7080 5.7190 29.3830 C 0 0 0 0 0 0 0 0 0 0 0 0
26.4590 6.5940 28.6310 C 0 0 0 0 0 0 0 0 0 0 0 0
26.5090 6.4520 27.2630 C 0 0 0 0 0 0 0 0 0 0 0 0
25.7960 5.4400 26.6440 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
4 2 1 1
4 6 1 0
5 6 1 0
5 8 1 0
8 9 1 0
9 10 1 0
10 11 2 0
7 12 2 0
11 12 1 0
7 13 1 0
9 13 2 0
5 14 1 0
4 15 1 0
14 15 1 0
15 16 1 6
16 17 2 0
17 18 1 0
18 19 2 0
19 20 1 0
16 21 1 0
20 21 2 0
M END