fragmenstein/demo/mpro_mols/Mpro-x11493.mol
RDKit 3D
20 22 0 0 0 0 0 0 0 0999 V2000
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8.1710 -0.3630 20.8120 C 0 0 0 0 0 0 0 0 0 0 0 0
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12.4100 -0.0010 23.5300 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3060 -1.3260 21.8500 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4520 -0.8490 22.4410 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.3400 0.7450 19.9310 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.3920 1.1600 17.7510 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3990 0.3290 17.9470 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8090 0.8450 21.2420 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6950 1.6010 21.4600 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0730 2.2960 20.3960 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5740 2.2230 19.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
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13 12 2 0
14 13 1 0
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18 17 2 0
19 18 1 0
20 19 2 0
20 14 1 0
M END