fragmenstein/demo/mpro_mols/Mpro-x1384.mol
x1384
RDKit 3D
17 18 0 0 0 0 0 0 0 0999 V2000
6.6880 -3.6740 21.8100 N 0 0 0 0 0 0 0 0 0 0 0 0
8.2790 -3.3010 20.1010 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0560 -4.0650 19.6520 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8840 -3.7250 20.4820 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6350 -3.4620 25.5050 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3610 -2.0120 25.9460 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7360 -4.3500 22.6040 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3910 -5.6870 22.4100 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4600 -6.2720 23.2490 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8730 -5.5530 24.2750 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2290 -4.2240 24.4620 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1600 -3.6160 23.6300 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2480 -3.6740 25.9360 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9520 -2.4770 26.8140 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3180 -2.0080 27.2810 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2570 -2.4580 26.1950 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6220 -3.4090 18.3260 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 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
5 11 1 0
10 11 1 0
7 12 1 0
11 12 2 0
5 13 1 0
13 14 1 0
14 15 1 0
5 16 1 0
6 16 2 0
15 16 1 0
2 17 1 0
M END