fragmenstein/demo/mpro_mols/Mpro-x10800.mol
RDKit 3D
23 25 0 0 0 0 0 0 0 0999 V2000
6.4300 0.0840 21.0400 N 0 0 0 0 0 0 0 0 0 0 0 0
7.8500 -0.7620 22.5820 N 0 0 0 0 0 0 0 0 0 0 0 0
13.8720 -2.0390 24.8760 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9640 0.3500 19.7400 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9830 0.5600 25.8040 O 0 0 0 0 0 0 0 0 0 0 0 0
11.4290 -1.7930 23.5490 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8000 1.0960 19.6110 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0010 -0.8770 23.4880 C 0 0 1 0 0 0 0 0 0 0 0 0
8.4110 1.2820 24.6370 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7520 0.1740 18.6060 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3590 1.4630 17.3360 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8570 -2.9340 25.1290 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4690 -0.9070 23.2940 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4860 0.5320 23.8670 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6400 -2.8110 24.4720 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6780 -1.0260 23.9590 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5120 -1.5910 24.7580 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7290 -0.0360 21.4520 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4640 0.7130 17.4190 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6770 0.5190 20.8880 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1230 -1.6860 22.7980 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5010 1.6760 18.3930 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4720 -0.7450 25.4690 C 0 0 0 0 0 0 0 0 0 0 0 0
4 1 1 0
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9 5 1 0
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12 3 2 0
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19 10 2 0
20 18 2 0
8 21 1 6
21 6 1 0
22 11 2 0
22 7 1 0
23 17 1 0
23 5 1 0
M END