fragmenstein/demo/mpro_mols/Mpro-7com.mol
RDKit 3D
37 39 0 0 0 0 0 0 0 0999 V2000
11.2530 4.3940 23.3750 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8140 5.3580 22.7630 N 0 0 0 0 0 0 0 0 0 0 0 0
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7.9300 4.1580 24.7030 C 0 0 0 0 0 0 0 0 0 0 0 0
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10.9730 0.4620 24.4830 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.6720 -3.8550 20.4980 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5690 -4.5330 19.7120 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3660 -4.6110 20.6360 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1190 -5.2980 21.6870 N 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0
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4 5 1 1
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7 4 1 0
8 1 1 0
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10 11 1 6
12 10 1 0
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23 21 1 0
18 24 1 1
25 24 2 0
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29 28 1 6
30 29 1 0
31 29 1 0
32 30 1 0
32 31 1 0
34 33 1 1
34 27 1 0
36 35 2 0
36 34 1 0
37 36 1 0
M END