fragmenstein/demo/mpro_mols/Mpro-x0831.mol
x0831
RDKit 3D
19 20 0 0 0 0 0 0 0 0999 V2000
8.6130 -1.9040 23.1220 N 0 0 0 0 0 0 0 0 0 0 0 0
12.5450 -1.9410 22.2310 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7990 -4.3830 19.6260 O 0 0 0 0 0 0 0 0 0 0 0 0
11.9860 -0.8500 23.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5430 -2.8390 21.0750 N 0 0 0 0 0 0 0 0 0 0 0 0
12.7060 0.3260 23.2440 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2520 1.3610 24.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0610 1.2350 24.7100 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3290 0.0700 24.5950 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7790 -0.9940 23.8150 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9220 -2.2320 23.6990 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7310 -1.4290 21.7340 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5540 -0.6010 21.2980 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2880 -1.4170 21.3380 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0230 -3.6790 22.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5870 -2.9300 23.3860 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4150 -3.3420 19.8340 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1070 -2.6670 18.6590 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7800 -3.3360 18.4030 R 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0
4 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
4 10 1 0
9 10 2 0
1 11 1 0
10 11 1 0
1 12 1 0
12 13 1 0
5 14 1 0
13 14 1 0
5 15 1 0
1 16 1 0
15 16 1 0
3 17 2 0
5 17 1 0
17 18 1 0
18 19 1 0
M END