fragmenstein/demo/mpro_mols/Mpro-6wtk.mol
RDKit 3D
29 30 0 0 0 0 0 0 0 0999 V2000
8.4040 4.0330 22.4170 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2690 3.0950 23.0080 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5910 1.9480 22.2450 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4960 1.9330 21.0560 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9140 3.6990 22.6630 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5200 2.5490 23.3520 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1630 2.2870 23.5460 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1920 3.1640 23.0600 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5730 4.3110 22.3730 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9300 4.5680 22.1760 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0630 0.7700 22.9560 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2720 -0.4900 22.2870 C 0 0 2 0 0 0 0 0 0 0 0 0
8.9130 -0.9980 21.8240 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0270 -1.0230 22.6020 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8460 -1.4620 23.3100 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3550 -1.2470 23.4520 C 0 0 2 0 0 0 0 0 0 0 0 0
13.0280 -1.5400 22.1190 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9540 -2.1800 24.5180 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6840 -1.4430 20.4560 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3630 -1.9300 20.0790 C 0 0 2 0 0 0 0 0 0 0 0 0
7.4900 -3.3980 19.6400 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2500 -4.0520 19.6320 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8440 -1.0970 18.9130 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4580 0.2990 19.4260 C 0 0 2 0 0 0 0 0 0 0 0 0
5.2800 0.1820 20.4000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3110 1.3260 20.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7040 1.7360 18.6820 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0100 1.1140 18.3140 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6040 1.2620 17.2820 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0
3 2 1 0
4 3 2 0
5 1 1 0
6 5 2 0
7 6 1 0
8 7 2 0
9 8 1 0
10 9 2 0
10 5 1 0
11 3 1 0
12 11 1 0
13 12 1 0
14 13 2 0
12 15 1 1
16 15 1 0
16 17 1 6
18 16 1 0
19 13 1 0
20 19 1 0
20 21 1 6
22 21 1 0
23 20 1 0
24 23 1 6
25 24 1 0
26 25 1 0
27 26 1 0
28 27 1 0
28 24 1 0
29 28 2 0
M END