fragmenstein/demo/mpro_mols/Mpro-x11372.mol
RDKit 3D
22 23 0 0 0 0 0 0 0 0999 V2000
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12.8400 -0.6570 22.0730 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3860 0.2720 22.9340 C 0 0 0 0 0 0 0 0 0 0 0 0
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11.1750 0.7360 23.7520 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4790 -0.8850 22.0160 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6290 -0.1760 22.8600 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1220 -0.3960 22.7890 C 0 0 2 0 0 0 0 0 0 0 0 0
8.7510 -1.7860 23.3460 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5920 0.1550 21.4540 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0460 1.1820 20.9640 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5390 -0.5130 20.9050 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7750 -0.0460 19.8130 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5670 0.6260 20.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0980 0.7410 21.3780 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9000 1.1840 21.8330 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7420 1.1520 23.3240 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9980 1.5710 21.0900 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8850 1.1870 18.9720 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4430 1.0540 17.7160 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5930 0.4140 17.4670 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2350 -0.1310 18.5030 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0
3 2 2 0
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5 4 2 0
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7 5 1 0
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8 9 1 6
10 8 1 0
11 10 2 0
12 10 1 0
13 12 1 0
14 13 2 0
15 14 1 0
16 15 1 0
17 16 1 0
18 16 2 0
19 14 1 0
20 19 2 0
21 20 1 0
22 21 2 0
22 13 1 0
M END