fragmenstein/demo/mpro_mols/Mpro-x10959.mol
RDKit 3D
21 23 0 0 0 0 0 0 0 0999 V2000
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8.3040 -0.3070 21.2970 C 0 0 0 0 0 0 0 0 0 0 0 0
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12.8990 -0.0960 23.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2520 -1.4840 22.0580 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5560 -1.0780 22.2330 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.4650 -0.1290 19.6710 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3490 0.6880 20.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8640 0.8390 21.3530 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7610 1.6070 21.6180 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1040 2.2770 20.5950 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5510 2.1870 19.3050 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6820 1.3900 18.9870 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1920 1.2550 17.6750 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2400 0.5020 17.3540 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8450 -0.1720 18.3360 C 0 0 0 0 0 0 0 0 0 0 0 0
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14 13 2 0
15 14 1 0
16 15 2 0
17 16 1 0
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18 13 1 0
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20 19 2 0
21 20 1 0
21 12 2 0
M END