fragmenstein/demo/mpro_mols/Mpro-x11186.mol
RDKit 3D
21 24 0 0 0 0 0 0 0 0999 V2000
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8.2770 0.1370 21.3180 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7130 -0.7110 22.5140 C 0 0 2 0 0 0 0 0 0 0 0 0
8.2250 -0.0540 23.8010 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3710 0.6690 24.3270 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2150 -0.6500 22.6940 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5150 0.2720 23.6750 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8170 0.6380 23.9690 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8450 0.0320 23.2680 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2480 -1.2750 22.0120 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5480 -0.9350 22.3230 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8420 -1.8170 21.5810 Cl 0 0 0 0 0 0 0 0 0 0 0 0
7.3960 -0.4700 20.4800 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8790 0.0620 19.3330 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6440 0.6620 19.2950 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5170 1.0800 17.9970 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5720 0.7730 17.2980 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4510 0.1170 18.1430 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7000 0.8640 20.4170 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0510 1.8610 21.4680 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9530 2.1520 20.4920 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 0
3 2 1 6
4 3 1 0
5 4 1 0
6 3 1 0
7 6 2 0
7 5 1 0
8 7 1 0
9 8 2 0
10 6 1 0
11 10 2 0
11 9 1 0
12 11 1 0
13 2 1 0
14 13 1 0
15 14 1 0
16 15 1 0
17 16 2 0
18 17 1 0
18 14 2 0
19 15 1 6
20 19 1 0
21 20 1 0
21 19 1 0
M END