fragmenstein/demo/mpro_mols/Mpro-6zru.mol
RDKit 3D
37 39 0 0 0 0 0 0 0 0999 V2000
11.4700 4.8450 23.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1150 5.7230 22.3100 N 0 0 0 0 0 0 0 0 0 0 0 0
11.7050 4.7070 24.3110 O 0 0 0 0 0 0 0 0 0 0 0 0
13.3220 6.5050 22.6560 C 0 0 2 0 0 0 0 0 0 0 0 0
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14.4790 5.5110 22.7650 C 0 0 0 0 0 0 0 0 0 0 0 0
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9.7740 3.0750 23.1430 C 0 0 1 0 0 0 0 0 0 0 0 0
8.3290 3.4870 23.4560 C 0 0 2 0 0 0 0 0 0 0 0 0
7.5150 3.8520 22.2150 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3200 4.7150 24.3730 C 0 0 0 0 0 0 0 0 0 0 0 0
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10.8530 0.6230 24.3740 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.0570 0.2110 20.5230 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7960 0.9750 20.0730 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.4830 -3.4430 20.2050 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4570 -4.2980 19.3850 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2510 -4.2550 20.2870 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0590 -5.0370 21.5010 N 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0
3 1 2 0
4 2 1 0
4 5 1 1
6 4 1 0
7 4 1 0
8 1 1 0
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10 9 1 0
10 11 1 6
12 10 1 0
13 10 1 0
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21 22 1 1
23 21 1 0
18 24 1 1
25 24 2 0
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27 28 1 6
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