fragmenstein/demo/mpro_mols/Mpro-x1392.mol
x1392
RDKit 3D
20 22 0 0 0 0 0 0 0 0999 V2000
6.0770 -4.2190 19.9930 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8090 -3.2410 20.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3130 -2.6150 18.7930 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1780 -2.6920 21.2520 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4880 -3.0650 22.4870 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4700 -3.6020 23.4920 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0090 -4.4330 24.5140 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8840 -4.9440 25.4550 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2280 -4.6360 25.3860 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6990 -3.8130 24.3750 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8280 -3.2760 23.4180 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3740 -2.3850 22.3090 C 0 0 2 0 0 0 0 0 0 0 0 0
10.3420 -1.3270 22.7990 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6250 -1.2350 22.2750 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5090 -0.2700 22.7260 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1220 0.6240 23.6990 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8540 0.5520 24.2270 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9690 -0.4170 23.7810 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2640 -1.7370 21.4850 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8960 -3.3930 18.3960 R 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
2 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
6 11 2 0
10 11 1 0
11 12 1 0
12 13 1 1
13 14 2 0
14 15 1 0
15 16 2 0
16 17 1 0
13 18 1 0
17 18 2 0
4 19 1 0
12 19 1 0
3 20 1 0
M END