fragmenstein/demo/mpro_mols/Mpro-x10484.mol
RDKit 3D
20 21 0 0 0 0 0 0 0 0999 V2000
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8.3280 0.1310 21.7690 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0350 0.1400 21.3830 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4710 0.2660 20.0900 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1990 0.0150 18.9250 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8060 0.3960 17.7050 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6450 1.0500 17.6130 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8420 1.3290 18.6980 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2360 0.9270 19.9710 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3790 1.2380 21.1710 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5530 -0.3840 23.1760 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6520 -1.4680 23.3170 C 0 0 2 0 0 0 0 0 0 0 0 0
9.3860 -2.5550 22.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5180 -2.1240 24.6960 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0380 -0.8250 23.1730 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3810 0.2840 23.9440 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6080 0.9090 23.7790 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5140 0.4280 22.8560 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1990 -0.6800 22.1010 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9690 -1.3010 22.2520 C 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 2 0
8 7 1 0
9 8 2 0
9 4 1 0
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11 2 1 0
12 11 1 0
12 13 1 6
14 12 1 0
15 12 1 0
16 15 2 0
17 16 1 0
18 17 2 0
19 18 1 0
20 19 2 0
20 15 1 0
M END