fragmenstein/demo/mpro_mols/Mpro-x11354.mol
RDKit 3D
21 23 0 0 0 0 0 0 0 0999 V2000
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5.4990 1.1470 17.8290 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9520 1.3720 19.0750 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5520 0.8130 20.1970 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9980 1.1100 21.5670 C 0 0 0 0 0 0 0 0 0 0 0 0
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10.8230 -1.2920 22.6320 C 0 0 0 0 0 0 0 0 0 0 0 0
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10.0360 -2.5500 24.6920 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4870 -2.9350 26.0330 N 0 0 0 0 0 0 0 0 0 0 0 0
11.7770 -3.6530 25.9900 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8810 -2.7410 25.5120 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4780 -2.0320 24.2410 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4660 -1.4540 23.4480 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1440 -0.8060 22.2710 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8280 -0.7260 21.8550 C 0 0 0 0 0 0 0 0 0 0 0 0
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14 13 1 0
15 14 1 0
16 15 1 0
17 16 1 0
18 17 1 0
18 13 2 0
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20 19 2 0
21 12 2 0
21 20 1 0
M END