fragmenstein/demo/mpro_mols/Mpro-7k6e.mol
RDKit 3D
49 53 0 0 0 0 0 0 0 0999 V2000
12.7840 8.1740 25.7790 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6280 7.7550 27.8770 C 0 0 0 0 0 0 0 0 0 0 0 0
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14.7580 3.6520 21.8620 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5240 4.7760 21.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.8340 0.2460 20.6690 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2270 -4.8690 20.6090 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.5210 -4.7360 21.2630 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4410 -4.8210 19.6670 O 0 0 0 0 0 0 0 0 0 0 0 0
3 2 2 0
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7 2 1 0
8 5 2 0
8 3 1 0
9 4 1 0
10 9 1 1
11 10 1 0
12 11 2 0
13 10 1 0
13 14 1 1
15 14 1 0
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17 16 1 0
18 13 1 0
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20 19 1 6
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31 33 1 6
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42 41 1 0
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40 48 1 1
49 44 2 0
M END