fragmenstein/demo/mpro_mols/Mpro-x10566.mol
RDKit 3D
20 22 0 0 0 0 0 0 0 0999 V2000
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8.1070 -0.4330 21.4810 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.8370 -0.1420 18.5430 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3340 0.5590 17.5230 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2910 1.3580 17.7790 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7180 1.4890 19.0300 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2510 0.7900 20.1070 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7270 1.0110 21.5030 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4480 -1.2600 22.7030 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6520 -0.6670 23.3900 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9290 -0.9860 22.9470 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0480 -0.3100 23.4150 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4200 -0.6950 22.9100 C 0 0 2 0 0 0 0 0 0 0 0 0
13.5900 -1.3650 21.5790 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8300 -2.1340 22.8150 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8770 0.6990 24.3510 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6160 1.0030 24.8350 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5110 0.3160 24.3600 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 0
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8 7 1 0
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13 12 2 0
14 13 1 0
15 14 1 1
16 15 1 0
17 16 1 0
17 15 1 0
18 14 2 0
19 18 1 0
20 19 2 0
20 12 1 0
M END