fragmenstein/demo/mpro_mols/Mpro-x10296.mol
RDKit 3D
19 20 0 0 0 0 0 0 0 0999 V2000
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7.8270 -1.1010 18.7460 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7130 -0.0910 18.4770 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6880 0.1670 19.4550 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6250 -0.4270 20.7540 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7500 0.6570 21.8360 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9610 1.7950 21.5680 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9500 2.6760 22.4710 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2410 3.4880 22.6870 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2000 3.0900 23.6170 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3340 3.8610 23.8400 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3940 4.7090 22.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5240 5.4780 22.2800 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4670 5.0840 23.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5600 5.8750 23.4070 F 0 0 0 0 0 0 0 0 0 0 0 0
4.7810 2.2740 20.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6620 1.1360 19.2310 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6640 0.4990 17.4590 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7750 -3.5190 18.6220 S 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0
3 2 1 0
4 3 1 0
5 4 1 0
6 5 1 0
7 6 1 0
8 7 1 0
9 8 1 0
10 9 2 0
11 10 1 0
12 9 1 0
13 12 2 0
14 11 2 0
14 13 1 0
15 14 1 0
16 7 1 0
17 16 1 0
17 4 1 0
18 3 2 0
1 19 1 0
M END