fragmenstein/demo/mpro_mols/Mpro-x1249.mol
x1249
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
8.4410 0.6920 24.9290 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6960 1.4480 24.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1680 2.4460 23.4520 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8240 1.0280 25.2560 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9740 -1.7640 20.5880 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4670 1.0570 23.6600 O 0 0 0 0 0 0 0 0 0 0 0 0
10.7470 0.4040 24.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3280 0.9470 23.8110 N 0 0 0 0 0 0 0 0 0 0 0 0
11.9100 1.0660 23.8620 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7610 0.4850 22.9250 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4290 -0.7530 22.3660 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2690 -1.3270 21.3860 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2700 -1.4230 22.7520 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4310 -0.8440 23.6940 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4710 0.8350 25.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0410 0.3340 24.7350 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2140 1.0220 22.4610 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6080 1.6330 22.7060 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
1 4 1 0
4 7 1 0
2 8 1 0
7 9 2 0
9 10 1 0
10 11 2 0
5 12 3 0
11 12 1 0
11 13 1 0
7 14 1 0
13 14 2 0
8 15 1 0
6 16 1 0
15 16 1 0
6 17 1 0
8 18 1 0
17 18 1 0
M END