fragmenstein/demo/mpro_mols/Mpro-x0499.mol
x0499
RDKit 3D
17 18 0 0 0 0 0 0 0 0999 V2000
25.9190 6.2200 13.8670 N 0 0 0 0 0 0 0 0 0 0 0 0
25.8950 4.8460 13.4050 C 0 0 0 0 0 0 0 0 0 0 0 0
26.2320 3.9900 14.1600 O 0 0 0 0 0 0 0 0 0 0 0 0
25.4720 4.4710 11.9800 C 0 0 0 0 0 0 0 0 0 0 0 0
25.2180 5.4380 11.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
24.8530 5.0720 9.7330 C 0 0 0 0 0 0 0 0 0 0 0 0
24.7360 3.7380 9.4070 C 0 0 0 0 0 0 0 0 0 0 0 0
24.3630 3.3690 8.0650 N 0 0 0 0 0 0 0 0 0 0 0 0
23.1170 2.6850 7.7840 C 0 0 0 0 0 0 0 0 0 0 0 0
22.3660 2.4110 8.6630 O 0 0 0 0 0 0 0 0 0 0 0 0
22.8090 2.3200 6.3180 C 0 0 2 0 0 0 0 0 0 0 0 0
23.2160 1.1370 6.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
23.8730 1.1900 4.7140 C 0 0 0 0 0 0 0 0 0 0 0 0
24.5500 2.5480 4.8010 C 0 0 0 0 0 0 0 0 0 0 0 0
23.6470 3.2820 5.3210 O 0 0 0 0 0 0 0 0 0 0 0 0
24.9970 2.7660 10.3550 C 0 0 0 0 0 0 0 0 0 0 0 0
25.3630 3.1300 11.6410 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 2 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 1 0
9 10 2 0
11 9 1 1
11 12 1 0
12 13 1 0
13 14 1 0
11 15 1 0
14 15 1 0
7 16 1 0
4 17 1 0
16 17 2 0
M END