fragmenstein/demo/mpro_mols/Mpro-x10888.mol
RDKit 3D
21 22 0 0 0 0 0 0 0 0999 V2000
13.9260 -1.7790 21.4810 Cl 0 0 0 0 0 0 0 0 0 0 0 0
12.8250 -0.6710 22.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3110 0.5160 22.7580 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4170 1.4060 23.3340 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0690 1.0960 23.4030 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4840 -0.9950 22.3040 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5860 -0.1050 22.8870 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0870 -0.4080 22.8990 C 0 0 1 0 0 0 0 0 0 0 0 0
8.8970 -1.8200 22.8740 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4100 0.1600 24.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9790 -0.3120 24.3830 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4650 0.2490 21.6230 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9020 1.3150 21.2210 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4220 -0.3860 21.0410 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6710 0.1280 19.9570 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5360 0.9240 20.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0270 1.1660 21.6100 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9030 1.5060 19.1190 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4010 1.2940 17.8500 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4650 0.5260 17.5930 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0740 -0.0490 18.6340 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0
3 2 2 0
4 3 1 0
5 4 2 0
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7 5 1 0
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8 9 1 6
10 8 1 0
11 10 1 0
12 8 1 0
13 12 2 0
14 12 1 0
15 14 1 0
16 15 2 0
17 16 1 0
18 16 1 0
19 18 2 0
20 19 1 0
21 20 2 0
21 15 1 0
M END