fragmenstein/demo/mpro_mols/Mpro-x10417.mol
x10417
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
6.7640 0.5240 17.5680 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3280 1.0370 21.6040 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5080 0.7150 20.9600 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7990 0.7920 20.1930 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6510 -0.5900 20.9640 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1430 1.3750 19.1170 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6510 1.2200 17.8410 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3890 -0.0640 18.5930 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9520 0.0400 19.9120 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8750 -0.2450 21.3960 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4070 -1.1210 22.5120 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8740 -0.8550 22.7530 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2850 0.0090 23.7610 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6280 0.3080 23.9350 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5810 -0.2390 23.0930 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1540 -1.1030 22.1170 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8340 -1.4300 21.9270 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0840 -1.6780 21.3000 F 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0
4 6 2 0
1 7 2 0
6 7 1 0
1 8 1 0
4 9 1 0
5 9 1 0
8 9 2 0
3 10 2 0
5 10 1 0
10 11 1 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
12 17 1 0
16 17 2 0
16 18 1 0
M END