fragmenstein/demo/mpro_mols/Mpro-x11427.mol
RDKit 3D
19 20 0 0 0 0 0 0 0 0999 V2000
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12.0450 -3.1780 25.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3830 -2.9110 25.3830 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8950 -1.8830 24.6070 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0650 -1.1430 23.7730 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1890 -2.4600 24.4610 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7030 -1.4080 23.7030 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7880 -0.5070 22.9080 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5590 -1.1610 22.2340 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7960 -0.1860 21.3610 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2670 0.9080 21.0470 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5800 -0.6230 20.9430 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7990 -0.0030 19.9230 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6070 0.6900 20.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1200 0.8270 21.6660 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2060 -0.0250 18.5860 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5360 0.5700 17.5930 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4020 1.2050 17.9160 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9130 1.2920 19.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0
3 2 2 0
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7 5 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