fragmenstein/demo/mpro_mols/Mpro-x11346.mol
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
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8.2350 -0.2700 21.1730 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8690 -1.4380 21.9040 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8630 -0.9400 22.9260 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1810 -0.6990 22.5620 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0550 -0.0310 23.4050 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4470 0.3220 22.9490 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5950 0.3510 24.6590 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4440 -0.5620 24.1960 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2970 0.0880 25.0770 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8170 0.5220 26.4410 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4030 -0.6210 20.1470 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5480 0.0260 19.2880 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7650 1.1420 19.5790 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4510 1.7080 20.8890 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2640 1.5710 18.4130 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6650 0.8090 17.4390 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4720 -0.1800 17.9840 N 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 1 0
8 6 2 0
9 4 1 0
10 9 2 0
10 8 1 0
11 10 1 0
12 2 1 0
13 12 1 0
14 13 1 0
15 14 1 0
16 14 1 0
17 16 2 0
18 17 1 0
18 13 2 0
M END