fragmenstein/demo/mpro_mols/Mpro-x10876.mol
RDKit 3D
28 31 0 0 0 0 0 0 0 0999 V2000
9.0340 1.4370 20.9780 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8100 0.3950 21.5740 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2090 0.1950 22.8660 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6220 1.3740 23.6210 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0910 1.6710 23.4570 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6600 2.9080 23.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0320 2.8560 22.9120 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6200 1.2940 23.3250 S 0 0 0 0 0 0 0 0 0 0 0 0
12.0460 0.7170 23.6510 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0950 -1.0460 23.5590 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8250 -1.0800 24.9220 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7540 -2.2880 25.5950 C 0 0 0 0 0 0 0 0 0 0 0 0
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9.4540 -3.4250 23.6030 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0770 -3.4850 24.9500 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0640 -4.6820 25.6270 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1360 -4.9060 26.7260 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4350 -5.9090 24.9480 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9750 -0.7060 20.9150 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1080 -0.1660 19.8880 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9580 0.5510 20.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1880 0.9420 21.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0520 1.6960 20.8400 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7100 2.0540 19.5380 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4940 1.6630 18.4600 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6270 0.8960 18.7090 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5740 0.3710 17.8620 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4510 -0.2680 18.5790 N 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 0
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5 4 1 0
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7 6 2 0
8 7 1 0
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9 5 2 0
10 3 1 0
11 10 2 0
12 11 1 0
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14 13 2 0
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19 2 1 0
20 19 1 0
21 20 1 0
22 21 2 0
23 22 1 0
24 23 2 0
25 24 1 0
26 25 2 0
26 21 1 0
27 26 1 0
28 27 2 0
28 20 1 0
M END