fragmenstein/demo/mpro_mols/Mpro-x10995.mol
RDKit 3D
22 23 0 0 0 0 0 0 0 0999 V2000
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13.4650 -1.2520 22.8290 C 0 0 2 0 0 0 0 0 0 0 0 0
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12.1490 -0.7880 23.3930 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0820 0.0920 24.4630 C 0 0 0 0 0 0 0 0 0 0 0 0
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9.6980 -0.0440 24.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
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9.8560 -0.9190 23.2410 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6760 -1.4610 22.4720 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2600 -0.4960 21.3800 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9210 0.5050 21.1150 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1030 -0.8130 20.7670 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4950 -0.0750 19.7290 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3520 0.6920 19.9970 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7980 0.8450 21.3960 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4430 2.2700 21.7660 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0000 -0.0880 18.4320 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4400 0.5810 17.4200 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3340 1.2870 17.6840 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7630 1.3730 18.9360 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 6
3 2 1 0
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6 5 2 0
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9 5 1 0
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10 9 2 0
11 10 1 0
12 11 1 0
13 12 2 0
14 12 1 0
15 14 1 0
16 15 2 0
17 16 1 0
18 17 1 0
19 15 1 0
20 19 2 0
21 20 1 0
22 21 2 0
22 16 1 0
M END