fragmenstein/demo/mpro_mols/Mpro-x2910.mol
x2910
RDKit 3D
25 27 0 0 0 0 0 0 0 0999 V2000
7.2790 -1.4370 21.3290 N 0 0 0 0 0 0 0 0 0 0 0 0
10.4070 2.6210 23.9840 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1920 1.2900 23.5070 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2850 0.5620 23.1220 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8130 1.6220 18.2410 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6710 -1.0730 22.6030 O 0 0 0 0 0 0 0 0 0 0 0 0
12.5960 1.0210 23.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3650 -2.5290 20.8780 O 0 0 0 0 0 0 0 0 0 0 0 0
13.6130 0.2160 22.6530 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4370 1.0890 16.7600 O 0 0 0 0 0 0 0 0 0 0 0 0
13.3350 -1.0490 22.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0370 -1.5350 22.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0020 -0.7290 22.6280 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3010 -2.4200 22.2700 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8040 -2.4710 22.2060 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0910 -1.5460 20.7370 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6670 -0.3940 19.9190 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2370 -0.2130 18.7010 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8490 0.8300 17.8160 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1760 1.4920 19.4730 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1070 2.3150 19.8100 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4850 2.1680 21.0390 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9370 1.2320 21.9460 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9970 0.4000 21.6270 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6090 0.5000 20.3740 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0
3 4 1 0
4 7 2 0
7 9 1 0
9 11 2 0
11 12 1 0
4 13 1 0
6 13 1 0
12 13 2 0
6 14 1 0
1 15 1 0
14 15 1 0
1 16 1 0
8 16 2 0
16 17 1 0
17 18 2 0
5 19 1 0
10 19 2 0
18 19 1 0
5 20 1 0
20 21 2 0
21 22 1 0
22 23 2 0
23 24 1 0
17 25 1 0
20 25 1 0
24 25 2 0
M END