fragmenstein/demo/mpro_mols/Mpro-x10598.mol
RDKit 3D
19 20 0 0 0 0 0 0 0 0999 V2000
13.1230 -1.6730 22.0220 F 0 0 0 0 0 0 0 0 0 0 0 0
12.9470 -1.6440 23.3630 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7600 -2.4250 24.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6080 -2.3560 25.5270 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6720 -1.5030 26.0770 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8620 -0.7310 25.2550 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9720 -0.8040 23.8660 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0240 -0.0080 22.9940 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8780 -0.8460 22.3800 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0290 -0.0370 21.4230 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3730 1.0780 21.0420 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8960 -0.6360 21.0110 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0520 -0.0640 20.0190 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8590 0.5930 20.3990 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4700 0.7680 21.8460 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3810 -0.0980 18.6630 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6280 0.4440 17.7000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4900 1.0400 18.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0750 1.1360 19.3860 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0
3 2 2 0
4 3 1 0
5 4 2 0
6 5 1 0
7 6 2 0
7 2 1 0
8 7 1 0
9 8 1 0
10 9 1 0
11 10 2 0
12 10 1 0
13 12 1 0
14 13 2 0
15 14 1 0
16 13 1 0
17 16 2 0
18 17 1 0
19 18 2 0
19 14 1 0
M END