fragmenstein/demo/mpro_mols/Mpro-x10976.mol
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
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12.5780 -1.0370 22.2290 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9600 -0.1340 23.1970 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9840 0.4050 24.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6500 0.0720 23.8360 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2570 -1.3860 22.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2730 -0.8140 22.8360 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8160 -1.0990 22.5540 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3650 -0.2930 21.3540 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9460 0.7310 21.0110 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2690 -0.7650 20.7330 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5460 -0.1030 19.7190 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9350 -0.1340 18.3850 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3060 0.5460 17.4230 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2540 1.2960 17.7800 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4520 0.6860 20.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7880 1.4150 19.0830 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6170 2.3040 19.4310 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 6 2 0
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10 9 2 0
11 9 1 0
12 11 1 0
13 12 2 0
14 13 1 0
15 14 2 0
16 12 1 0
17 15 1 0
17 16 2 0
18 17 1 0
M END