fragmenstein/demo/mpro_mols/Mpro-6wtj.mol
RDKit 3D
29 30 0 0 0 0 0 0 0 0999 V2000
8.4290 3.9360 22.4730 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2190 3.0200 23.2180 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6630 1.8960 22.4860 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6300 1.8950 21.3020 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9260 3.7010 22.7180 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9880 4.4910 22.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6230 4.3080 22.2680 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1980 3.3160 23.1380 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1310 2.5170 23.8010 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4950 2.7070 23.5970 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1690 0.7190 23.2000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.3080 -0.5180 22.4580 C 0 0 2 0 0 0 0 0 0 0 0 0
8.9040 -0.9670 22.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9950 -0.8650 22.8030 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9320 -1.6000 23.3090 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3960 -1.2380 23.5590 C 0 0 2 0 0 0 0 0 0 0 0 0
13.1510 -1.2050 22.2360 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0400 -2.2540 24.5090 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7200 -1.5110 20.6930 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4070 -1.9630 20.2300 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6110 -3.4440 19.8910 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3830 -4.0880 19.7260 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9640 -1.1440 19.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5370 0.3130 19.4100 C 0 0 2 0 0 0 0 0 0 0 0 0
5.2830 0.2630 20.3050 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6190 1.5680 20.1110 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9660 1.9760 18.6970 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1710 1.1600 18.2960 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7160 1.2390 17.2460 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0
3 2 1 0
4 3 1 0
5 1 1 0
6 5 1 0
7 6 1 0
8 7 1 0
9 8 1 0
10 9 1 0
10 5 1 0
11 3 1 0
12 11 1 0
13 12 1 0
14 13 1 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 1 0
M END