fragmenstein/demo/mpro_mols/Mpro-x10801.mol
RDKit 3D
17 19 0 0 0 0 0 0 0 0999 V2000
9.1360 0.8800 20.9730 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5270 -0.0640 21.4610 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9770 -0.7240 22.7410 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3260 -1.4250 22.6360 C 0 0 1 0 0 0 0 0 0 0 0 0
11.5900 -0.5710 22.3810 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3020 -1.2560 23.5620 C 0 0 2 0 0 0 0 0 0 0 0 0
13.3370 -0.7060 24.4860 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6580 -1.8840 23.6030 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9490 -1.8530 23.9860 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3840 -0.5590 20.9540 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6470 0.0050 19.8900 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4890 0.7520 20.1660 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9900 0.9580 21.5740 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0680 -0.1200 18.5650 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4230 0.4380 17.5360 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3180 1.1420 17.8100 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8270 1.3250 19.0880 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 0
3 2 1 0
4 3 1 1
5 4 1 0
6 5 1 6
7 6 1 0
8 7 1 0
8 6 1 0
9 4 1 0
9 6 1 0
10 2 1 0
11 10 1 0
12 11 2 0
13 12 1 0
14 11 1 0
15 14 2 0
16 15 1 0
17 16 2 0
17 12 1 0
M END