fragmenstein/demo/mpro_mols/Mpro-x11424.mol
RDKit 3D
20 22 0 0 0 0 0 0 0 0999 V2000
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8.1440 -0.2500 21.5450 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8870 -1.2190 22.4420 C 0 0 0 0 0 0 0 0 0 0 0 0
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11.8790 0.7480 23.7390 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9270 0.1160 23.0880 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3610 -1.4380 22.1180 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6430 -0.9660 22.2780 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9250 -1.7150 21.3630 Cl 0 0 0 0 0 0 0 0 0 0 0 0
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5.8230 0.3910 20.9290 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8870 0.5350 19.5320 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7150 0.0930 18.4710 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3100 0.5680 17.3100 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2080 1.3320 17.5780 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9120 1.3350 18.9040 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8990 1.9620 19.6200 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8480 1.7910 20.9950 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7990 1.0200 21.6460 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 0
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13 12 2 0
14 13 1 0
15 14 2 0
16 15 1 0
17 16 1 0
17 13 1 0
18 17 2 0
19 18 1 0
20 19 2 0
20 12 1 0
M END