fragmenstein/demo/mpro_mols/Mpro-x11428.mol
RDKit 3D
17 18 0 0 0 0 0 0 0 0999 V2000
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8.5470 -0.1660 21.5290 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2660 -0.4350 21.1960 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5960 0.1020 20.0680 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1480 -0.0060 18.7870 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5730 0.5090 17.6940 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4040 1.1460 17.8600 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7800 1.3030 19.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3750 0.7860 20.2290 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7430 0.9940 21.5840 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0160 -0.8040 22.8240 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4420 -0.5650 23.0260 N 0 0 0 0 0 0 0 0 0 0 0 0
10.8140 -0.7050 24.4470 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2850 -0.4060 24.6690 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1600 -1.2780 23.7930 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7140 -1.2110 22.3370 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2370 -1.4990 22.2110 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 0
3 2 1 0
4 3 1 0
5 4 2 0
6 5 1 0
7 6 2 0
8 7 1 0
9 8 2 0
9 4 1 0
10 9 1 0
11 2 1 0
12 11 1 0
13 12 1 0
14 13 1 0
15 14 1 0
16 15 1 0
17 12 1 0
17 16 1 0
M END