fragmenstein/demo/mpro_mols/Mpro-x10488.mol
RDKit 3D
22 25 0 0 0 0 0 0 0 0999 V2000
10.5590 -0.5060 23.1740 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4150 0.6260 17.4050 N 0 0 0 0 0 0 0 0 0 0 0 0
11.4100 1.5050 23.7200 N 0 0 0 0 0 0 0 0 0 0 0 0
10.3370 0.7820 23.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1440 -0.5140 20.9250 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4460 0.6060 23.3470 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7090 -0.3860 25.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4580 0.1590 19.7610 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9370 0.0090 18.4710 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3620 1.4330 17.6110 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8090 1.6530 18.8600 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6620 -1.6730 22.5400 C 0 0 1 0 0 0 0 0 0 0 0 0
8.9220 1.2420 23.8420 C 0 0 2 0 0 0 0 0 0 0 0 0
8.4370 0.9540 25.2730 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8390 -0.5500 23.0340 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9840 -1.3700 21.9040 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0110 0.4920 21.6540 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9810 0.4790 23.0080 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6730 1.3090 21.0310 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0300 -0.3070 23.8180 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3720 1.0050 19.9450 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9460 -1.9830 23.2490 C 0 0 0 0 0 0 0 0 0 0 0 0
4 1 1 0
4 3 2 0
6 3 1 0
8 5 1 0
9 8 1 0
9 2 2 0
10 2 1 0
11 10 2 0
13 4 1 1
14 13 1 0
14 7 1 0
15 1 2 0
12 15 1 1
15 6 1 0
16 12 1 0
17 5 1 0
18 17 1 0
18 13 1 0
19 17 2 0
20 18 1 0
20 7 1 0
21 11 1 0
21 8 2 0
22 16 1 0
22 12 1 0
M END