fragmenstein/demo/mpro_mols/Mpro-x11797.mol
RDKit 3D
28 31 0 0 0 0 0 0 0 0999 V2000
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8.8170 0.4600 21.7010 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1540 -0.7340 21.0100 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.1010 0.4430 20.0720 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2810 0.8180 21.1280 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1580 1.5800 20.8320 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8740 1.9600 19.5180 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7130 1.5940 18.4720 C 0 0 0 0 0 0 0 0 0 0 0 0
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11.2850 1.6060 23.3640 C 0 0 0 0 0 0 0 0 0 0 0 0
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13.4490 1.5020 22.9860 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3510 0.7420 23.3800 C 0 0 0 0 0 0 0 0 0 0 0 0
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9.0550 -3.4660 24.9660 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.9060 -4.9740 26.5570 C 0 0 0 0 0 0 0 0 0 0 0 0
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22 21 1 0
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25 24 1 0
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26 25 1 0
27 26 1 0
28 26 1 0
M END