fragmenstein/demo/mpro_mols/Mpro-x0691.mol
x0691
RDKit 3D
20 21 0 0 0 0 0 0 0 0999 V2000
5.3760 -5.5120 24.3380 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8170 -1.9390 25.7980 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9520 -6.7520 25.9160 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4770 -2.2290 25.7100 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3930 -5.0920 21.7440 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6260 -5.1380 26.7600 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1080 -3.5580 25.6540 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6800 -4.4710 19.6880 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0690 -4.5580 25.6790 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4120 -4.2240 25.7640 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8040 -2.8980 25.8250 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4130 -4.4920 24.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2460 -4.8840 22.9160 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3710 -6.1070 21.9910 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5140 -5.6970 23.1590 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5290 -4.4330 20.5690 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7960 -3.6450 20.3600 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1930 -0.6430 25.8540 F 0 0 0 0 0 0 0 0 0 0 0 0
4.6330 -5.5000 25.7980 S 0 0 1 0 0 0 0 0 0 0 0 0
8.2260 -3.3960 18.6150 R 0 0 0 0 0 0 0 0 0 0 0 0
2 4 2 0
4 7 1 0
7 9 2 0
9 10 1 0
2 11 1 0
10 11 2 0
1 12 1 0
5 13 1 0
12 13 1 0
5 14 1 0
1 15 1 0
14 15 1 0
5 16 1 0
8 16 2 0
16 17 1 0
2 18 1 0
1 19 1 0
3 19 2 0
6 19 2 0
19 10 1 6
17 20 1 0
M END