fragmenstein/demo/mpro_mols/Mpro-x11001.mol
RDKit 3D
16 17 0 0 0 0 0 0 0 0999 V2000
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6.6700 -4.5060 20.3180 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.8580 -2.5680 20.8970 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4910 -1.3390 21.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9720 -4.5170 21.6380 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6690 -3.3820 22.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1050 -2.9980 23.2770 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7300 -1.7750 23.4330 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9050 -0.9520 22.3300 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6250 0.6440 22.5460 S 0 0 0 0 0 0 0 0 0 0 0 0
10.8790 0.4550 23.2180 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6080 1.2960 21.2700 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6920 1.5030 23.5270 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6760 -3.5410 18.6780 S 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 0
3 2 1 0
3 4 1 6
5 3 1 0
6 5 2 0
7 2 1 0
8 7 1 0
8 5 1 0
9 8 2 0
10 9 1 0
11 6 1 0
11 10 2 0
12 11 1 0
13 12 2 0
14 12 2 0
12 15 1 0
3 16 1 0
M END