fragmenstein/demo/mpro_mols/Mpro-x11233.mol
RDKit 3D
22 25 0 0 0 0 0 0 0 0999 V2000
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8.6750 0.1160 21.4540 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.1450 -0.0340 19.5630 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8900 0.5000 19.4590 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9080 0.7150 20.5400 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0450 1.9300 21.3860 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9350 1.8300 20.3910 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7730 0.8500 18.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8590 0.5730 17.4910 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7450 0.0010 18.3870 N 0 0 0 0 0 0 0 0 0 0 0 0
9.1270 -0.5590 22.7680 C 0 0 1 0 0 0 0 0 0 0 0 0
8.8600 -2.0730 22.8830 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6440 -0.3740 22.7940 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4490 -0.9820 21.8420 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8090 -0.7270 21.7970 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3860 0.1370 22.7020 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6110 0.7440 23.6800 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2530 0.4680 23.7260 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5590 1.0360 24.7640 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2070 1.3820 24.4150 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4270 0.1710 23.9430 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 1 0
6 5 1 6
7 6 1 0
8 7 1 0
8 6 1 0
9 5 1 0
10 9 2 0
11 10 1 0
11 4 2 0
12 2 1 0
12 13 1 6
14 12 1 0
15 14 2 0
16 15 1 0
17 16 2 0
18 17 1 0
19 14 1 0
19 18 2 0
20 19 1 0
21 20 1 0
22 21 1 0
22 12 1 0
M END