fragmenstein/demo/mpro_mols/Mpro-x10856.mol
RDKit 3D
21 22 0 0 0 0 0 0 0 0999 V2000
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6.5220 0.6710 17.4690 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3500 1.1980 17.8420 C 0 0 0 0 0 0 0 0 0 0 0 0
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9.4170 -1.3790 22.8350 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7320 -1.5050 22.3850 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7290 -0.7260 22.9410 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7000 0.6840 20.1590 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2870 0.1340 18.4260 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9260 0.0870 19.7740 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9050 1.2220 19.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3580 0.9570 21.6030 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4240 0.7730 24.9930 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6390 -0.8240 20.6000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.8260 -0.3430 24.1990 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3450 -2.3580 22.3650 C 0 0 1 0 0 0 0 0 0 0 0 0
13.5460 -1.0850 22.4900 Br 0 0 0 0 0 0 0 0 0 0 0 0
11.4500 0.2260 23.8970 C 0 0 0 0 0 0 0 0 0 0 0 0
3 2 2 0
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17 13 1 0
17 6 1 0
18 16 1 0
18 4 1 0
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19 1 1 1
20 10 1 0
21 7 1 0
21 10 2 0
M END