fragmenstein/demo/mpro_mols/Mpro-x10756.mol
RDKit 3D
23 25 0 0 0 0 0 0 0 0999 V2000
6.5180 0.4830 17.5430 N 0 0 0 0 0 0 0 0 0 0 0 0
12.0000 4.6810 22.9300 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6360 0.5760 20.2100 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5740 0.3590 22.5390 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7980 2.4360 23.5330 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9110 -0.4980 22.5650 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9120 1.1740 19.1830 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2660 0.7130 23.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7250 -0.0560 21.4000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8270 -0.0880 19.8600 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2140 -0.1090 18.5190 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5550 3.3910 22.4830 C 0 0 2 0 0 0 0 0 0 0 0 0
13.2270 -0.8640 21.9900 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9060 -1.2860 22.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5830 1.1460 23.1040 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8830 4.1220 22.2640 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1820 0.7030 21.6410 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6380 -0.6520 20.8700 N 0 0 0 0 0 0 0 0 0 0 0 0
9.1030 1.0660 21.0750 O 0 0 0 0 0 0 0 0 0 0 0 0
13.2840 6.5890 22.4460 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4530 -0.8830 22.4430 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3850 1.1080 17.8870 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0780 5.3820 22.5360 C 0 0 0 0 0 0 0 0 0 0 0 0
7 3 1 0
8 6 1 0
10 3 2 0
11 10 1 0
11 1 2 0
12 5 1 1
12 2 1 0
13 4 2 0
14 13 1 0
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15 8 2 0
15 5 1 0
15 4 1 0
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17 3 1 0
18 10 1 0
18 9 1 0
19 9 2 0
21 9 1 0
21 6 1 0
22 7 2 0
22 1 1 0
23 16 1 0
23 2 1 0
23 20 2 0
M END