fragmenstein/demo/mpro_mols/Mpro-7c8r.mol
RDKit 3D
45 46 0 0 0 0 0 0 0 0999 V2000
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6.7670 0.6760 19.4430 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5770 0.7910 20.3970 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0370 2.0170 20.1360 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.3210 1.5200 18.1760 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7910 1.4960 17.0810 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6880 -1.2210 20.7210 N 0 0 0 0 0 0 0 0 0 0 0 0
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12.6040 -1.4040 23.1690 C 0 0 2 0 0 0 0 0 0 0 0 0
13.1600 -2.0860 24.4120 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3150 -0.0720 22.9500 C 0 0 0 0 0 0 0 0 0 0 0 0
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9.9620 2.1820 22.3580 C 0 0 0 0 0 0 0 0 0 0 0 0
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13.5290 7.2380 24.3250 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3240 8.5910 24.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9380 9.4710 25.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7760 9.0130 26.3500 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9920 7.6700 26.6450 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3800 6.7870 25.6390 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5490 4.2130 23.0140 C 0 0 1 0 0 0 0 0 0 0 0 0
7.4280 3.2510 23.4480 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.1040 6.5820 23.3290 C 0 0 1 0 0 0 0 0 0 0 0 0
7.9430 7.6150 24.4440 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1350 7.1080 22.3460 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6980 6.4640 22.7220 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0
3 2 1 0
4 3 1 0
5 4 2 0
6 4 1 0
7 6 1 0
8 7 1 6
9 8 1 0
10 9 1 6
11 10 1 0
12 11 1 0
13 12 1 0
14 13 1 0
14 10 1 0
15 14 2 0
16 8 1 0
17 16 1 0
18 17 2 0
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19 20 1 1
21 20 1 0
21 22 1 1
23 21 1 0
24 19 1 0
25 24 1 0
26 25 2 0
27 25 1 0
27 28 1 6
29 28 1 0
30 29 2 0
31 29 1 0
32 31 1 0
33 32 1 0
34 33 2 0
35 34 1 0
36 35 2 0
37 36 1 0
38 37 2 0
38 33 1 0
39 27 1 0
39 40 1 1
41 39 1 0
42 41 1 0
42 43 1 1
44 42 1 0
45 42 1 0
M END