fragmenstein/demo/mpro_mols/Mpro-6wtt.mol
RDKit 3D
29 30 0 0 0 0 0 0 0 0999 V2000
11.0940 3.7500 23.7860 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9230 3.4840 22.8570 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8790 2.1890 22.1940 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4500 2.1460 21.0270 O 0 0 0 0 0 0 0 0 0 0 0 0
12.1420 4.7760 23.3440 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6560 5.7560 24.2330 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5980 6.7160 23.8110 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0600 6.7050 22.4830 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5690 5.7440 21.6000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6280 4.7950 22.0310 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3810 0.9970 22.8860 N 0 0 0 0 0 0 0 0 0 0 0 0
10.4530 -0.2930 22.1700 C 0 0 2 0 0 0 0 0 0 0 0 0
9.0730 -0.6900 21.9370 C 0 0 1 0 0 0 0 0 0 0 0 0
8.2500 -0.2340 22.7250 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1780 -1.3950 22.9780 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6200 -0.9640 23.3860 C 0 0 2 0 0 0 0 0 0 0 0 0
13.4770 -0.5200 22.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3480 -2.0570 24.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7570 -1.4790 20.7850 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3680 -1.9690 20.3790 C 0 0 2 0 0 0 0 0 0 0 0 0
7.3980 -3.4270 19.7690 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1220 -3.8210 19.2800 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6930 -1.0160 19.3140 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4470 0.4610 19.7650 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0710 0.7020 20.4340 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5310 2.0450 19.8680 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2880 2.2380 18.6310 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3940 1.3680 18.5080 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1640 1.3380 17.5760 O 0 0 0 0 0 0 0 0 0 0 0 0
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3 2 1 0
4 3 1 0
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7 6 1 0
8 7 1 0
9 8 1 0
10 5 1 0
10 9 1 0
11 3 1 0
12 11 1 0
13 12 1 0
13 14 1 6
12 15 1 1
16 15 1 0
16 17 1 6
18 16 1 0
19 13 1 0
20 19 1 0
20 21 1 6
22 21 1 0
23 20 1 0
24 23 1 6
25 24 1 0
26 25 1 0
27 26 1 0
28 27 1 0
28 24 1 0
29 28 1 0
M END