fragmenstein/demo/mpro_mols/Mpro-x11562.mol
RDKit 3D
23 24 0 0 0 0 0 0 0 0999 V2000
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8.2700 -0.3610 21.2130 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.4090 0.0370 19.6840 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2950 0.8410 19.9630 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7800 1.0300 21.3680 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7250 1.5300 18.8990 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2760 1.4170 17.6390 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3470 0.6610 17.3630 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8950 -0.0150 18.3780 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8030 -1.3740 22.2060 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1200 -0.8970 22.7690 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3160 -1.3800 22.2530 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5110 -0.8700 22.7070 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9970 -1.5480 22.1030 Cl 0 0 0 0 0 0 0 0 0 0 0 0
12.5590 0.1080 23.6780 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3760 0.5710 24.2320 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1640 0.0870 23.7590 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.4930 0.5100 25.4700 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0050 0.7880 25.5140 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1190 -0.3050 24.9180 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6440 0.0200 25.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 0
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16 14 2 0
17 16 1 0
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19 18 1 0
20 19 1 0
21 20 1 0
22 21 1 0
23 22 1 0
M END