fragmenstein/demo/mpro_mols/Mpro-x3124.mol
x3124
RDKit 3D
27 28 0 0 0 0 0 0 0 0999 V2000
7.3510 -1.3690 21.7770 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0120 -4.4730 20.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3800 -2.2780 21.1580 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1430 -3.8100 21.4960 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6780 1.7220 22.9380 N 0 0 0 0 0 0 0 0 0 0 0 0
8.8740 1.2950 21.0740 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5460 -2.4300 21.4740 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4620 0.3190 17.7050 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8670 -0.0010 21.4570 C 0 0 1 0 0 0 0 0 0 0 0 0
7.9150 1.0680 21.8080 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6090 2.7020 23.4680 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2250 0.2570 20.1040 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8480 -0.1020 18.9150 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3860 1.1080 17.6480 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6610 1.4880 18.7640 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0920 1.0520 20.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6070 -1.5420 22.4450 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7890 -1.6350 21.7140 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0020 -1.7550 22.3670 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0730 -1.7870 23.7590 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8830 -1.7120 24.4790 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6630 -1.5890 23.8360 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4180 -1.8420 24.4950 C 0 0 2 0 0 0 0 0 0 0 0 0
12.6210 -0.5330 25.2540 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6000 -2.0030 23.5360 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4600 -3.0150 25.4940 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1610 -3.7710 18.9280 R 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0
1 7 1 0
3 7 2 0
4 7 1 0
1 9 1 0
5 10 1 0
6 10 2 0
9 10 1 1
5 11 1 0
9 12 1 0
8 13 2 0
12 13 1 0
8 14 1 0
14 15 2 0
12 16 2 0
15 16 1 0
1 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
20 21 1 0
17 22 1 0
21 22 2 0
20 23 1 0
23 24 1 1
23 25 1 0
23 26 1 0
2 27 1 0
M END