fragmenstein/demo/mpro_mols/Mpro-x10604.mol
RDKit 3D
17 18 0 0 0 0 0 0 0 0999 V2000
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6.0980 0.5150 18.5460 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.5910 1.9270 19.4790 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2080 1.2920 20.4220 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1240 0.4220 19.9170 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9240 -0.4460 20.6400 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0870 -0.0080 21.1660 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6650 1.0100 20.7900 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6230 -0.8430 22.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0510 -0.4840 22.6590 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1040 -1.2110 22.1130 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4040 -0.7930 22.3220 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7070 -1.6970 21.5940 Cl 0 0 0 0 0 0 0 0 0 0 0 0
10.3400 0.6210 23.4520 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6520 1.0250 23.6560 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6970 0.3230 23.0760 C 0 0 0 0 0 0 0 0 0 0 0 0
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6 2 1 0
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9 8 2 0
10 8 1 0
11 10 1 0
12 11 2 0
13 12 1 0
14 13 1 0
15 11 1 0
16 15 2 0
17 16 1 0
17 13 2 0
M END