fragmenstein/demo/mpro_mols/Mpro-x10403.mol
x10403
RDKit 3D
23 25 0 0 0 0 0 0 0 0999 V2000
7.4230 -1.4100 21.4880 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2750 -1.5390 20.8230 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5860 -2.5570 20.8980 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9250 -2.4570 22.3690 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9240 -1.3600 23.2560 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5590 1.1150 16.8240 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4390 -2.4500 22.4270 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9460 1.6370 18.3170 N 0 0 0 0 0 0 0 0 0 0 0 0
11.2100 -0.8520 23.1900 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5820 0.1870 24.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8510 0.7410 23.9430 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7550 0.2620 23.0110 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3980 -0.7850 22.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1320 -1.3450 22.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8450 -0.3700 20.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3970 -0.1870 18.7750 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9840 0.8530 17.8840 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3360 1.5140 19.5620 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2900 2.3620 19.9260 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7060 2.2300 21.1750 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1610 1.2780 22.0690 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2000 0.4290 21.7230 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7860 0.5230 20.4580 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
1 4 1 0
4 7 1 0
5 7 1 0
5 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
9 14 1 0
13 14 2 0
2 15 1 0
15 16 2 0
6 17 2 0
8 17 1 0
16 17 1 0
8 18 1 0
18 19 2 0
19 20 1 0
20 21 2 0
21 22 1 0
15 23 1 0
18 23 1 0
22 23 2 0
M END