fragmenstein/demo/mpro_mols/Mpro-x11579.mol
RDKit 3D
22 23 0 0 0 0 0 0 0 0999 V2000
5.5120 -5.1660 20.2160 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7780 -5.0660 21.3260 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1800 -4.9140 22.6800 C 0 0 2 0 0 0 0 0 0 0 0 0
7.4340 -4.4600 22.8970 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2120 -3.8080 21.9530 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7850 -3.0040 20.9390 C 0 0 2 0 0 0 0 0 0 0 0 0
8.8680 -2.5050 20.0100 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6400 -2.5560 20.8820 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0050 -4.5960 24.1230 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3850 -5.1810 25.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2750 -5.2380 26.7010 S 0 0 0 0 0 0 0 0 0 0 0 0
9.9740 -5.4180 26.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3000 -5.4560 23.8010 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1220 -5.6630 25.0730 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5610 -6.4440 26.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0780 -7.0900 26.9300 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6110 -6.7080 23.1970 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1980 -6.9800 23.6990 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3240 -5.7510 23.5690 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9160 -4.6020 24.3530 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3140 -4.2620 23.8510 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1340 -3.0660 18.4540 S 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0
3 2 1 6
4 3 1 0
5 4 1 0
6 5 1 0
6 7 1 0
6 8 1 1
9 4 1 0
10 9 1 0
11 10 1 0
12 11 1 0
13 3 1 0
14 13 1 0
14 10 1 0
14 15 1 6
16 15 1 0
13 17 1 0
18 17 1 0
19 18 1 0
20 19 1 0
21 13 1 0
21 20 1 0
7 22 1 0
M END