fragmenstein/demo/mpro_mols/Mpro-x10789.mol
RDKit 3D
24 26 0 0 0 0 0 0 0 0999 V2000
6.4450 0.6200 17.2780 N 0 0 0 0 0 0 0 0 0 0 0 0
11.8150 4.7520 22.2420 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4130 0.7960 19.8850 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1310 0.5890 22.7130 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4580 2.7430 23.5140 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4400 -0.1620 22.6350 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7930 1.4330 18.8130 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8040 1.0940 23.1100 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3810 0.1880 21.2540 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5880 0.0630 19.6100 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0470 -0.0020 18.2970 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7240 3.5710 22.3730 C 0 0 2 0 0 0 0 0 0 0 0 0
12.7520 -0.6640 22.2750 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4290 -1.0500 22.2290 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1380 1.4630 23.1280 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8040 4.5710 22.7960 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8710 0.9490 21.2830 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.7910 1.2770 20.8660 O 0 0 0 0 0 0 0 0 0 0 0 0
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8.9820 -0.5130 22.4560 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3390 1.3270 17.5500 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8430 5.6200 22.2640 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9810 -1.8050 21.8110 Cl 0 0 0 0 0 0 0 0 0 0 0 0
7 3 1 0
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22 1 1 0
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23 2 1 0
23 20 2 0
24 13 1 0
M END