fragmenstein/demo/mpro_mols/Mpro-x0354.mol
x0354
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
13.1960 -1.0660 22.5730 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4010 -1.3300 23.7710 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9330 -2.3330 25.6060 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6920 -0.1310 24.2070 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0420 -1.5170 25.3840 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4260 -0.4950 27.6180 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9860 -0.4030 25.5120 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6470 -2.7170 24.8020 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4190 -2.3920 23.5410 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7620 -1.4460 25.8130 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3490 -0.1990 26.5820 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9960 0.5550 28.3890 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7410 1.7190 28.5350 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2640 2.7440 29.3360 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0540 2.6440 29.9940 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5470 3.7590 30.8610 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3250 1.4810 29.8360 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7810 0.4360 29.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 4 1 0
4 7 1 0
5 7 1 0
5 8 1 0
2 9 1 0
8 9 1 0
3 10 2 0
5 10 1 0
6 11 1 0
10 11 1 0
6 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
15 17 1 0
12 18 1 0
17 18 2 0
M END