fragmenstein/demo/mpro_mols/Mpro-x11498.mol
RDKit 3D
24 27 0 0 0 0 0 0 0 0999 V2000
9.0750 0.9330 21.0680 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5980 -0.1580 21.3640 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0830 -0.9600 22.5730 C 0 0 2 0 0 0 0 0 0 0 0 0
8.2800 -0.5370 23.8130 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7940 0.7810 24.3340 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1940 0.7090 24.6880 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5680 -0.7060 22.7430 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0250 0.1500 23.7490 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3720 0.4550 23.8820 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2900 -0.1090 23.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5100 -1.2860 21.8960 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8480 -0.9830 22.0470 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0100 -1.7520 21.0040 Cl 0 0 0 0 0 0 0 0 0 0 0 0
7.6260 -0.7540 20.6530 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7050 -0.2150 19.7470 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5850 0.5400 20.2190 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1680 0.5750 21.5770 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0580 1.2770 21.9550 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3100 1.9760 21.0190 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6720 1.9820 19.7040 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8180 1.2690 19.2670 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2390 1.2340 17.9160 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3020 0.5650 17.4850 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9920 -0.1470 18.3840 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 5 1 0
7 3 1 0
8 7 2 0
8 6 1 0
9 8 1 0
10 9 2 0
11 7 1 0
12 11 2 0
12 10 1 0
13 12 1 0
14 2 1 0
15 14 1 0
16 15 1 0
17 16 2 0
18 17 1 0
19 18 2 0
20 19 1 0
21 20 2 0
21 16 1 0
22 21 1 0
23 22 2 0
24 23 1 0
24 15 2 0
M END