fragmenstein/demo/mpro_mols/Mpro-x10679.mol
RDKit 3D
21 23 0 0 0 0 0 0 0 0999 V2000
6.4540 0.6380 17.3960 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5470 -0.6250 23.3930 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3250 0.7620 19.9700 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8570 0.5670 23.9250 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3060 0.1570 24.4990 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7630 1.4420 18.8970 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1610 -0.3820 21.4060 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4590 -0.0260 19.7080 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9830 -0.0520 18.4140 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4940 0.2980 24.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9900 -0.8980 22.0390 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4520 0.7320 24.9250 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6040 -0.0210 22.9200 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6360 -1.1760 22.1020 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8060 0.9720 21.3700 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0480 -0.7630 20.7560 N 0 0 0 0 0 0 0 0 0 0 0 0
8.8200 0.6170 21.1170 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5240 -1.2730 22.5820 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3550 1.3600 17.6500 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8990 -0.5640 23.1060 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9560 -1.7120 20.8460 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5 2 1 0
6 3 1 0
8 3 2 0
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12 5 2 0
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13 4 1 0
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17 7 2 0
18 7 1 0
18 2 1 0
19 6 2 0
19 1 1 0
20 2 1 0
20 14 2 0
20 10 1 0
21 11 1 0
M END