fragmenstein/demo/mpro_mols/Mpro-x0749.mol
x0749
RDKit 3D
19 21 0 0 0 0 0 0 0 0999 V2000
7.0410 -4.5540 21.2710 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2970 -2.9850 19.3790 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5130 -4.5260 19.6330 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5450 -4.0740 20.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9170 -2.3490 23.6850 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2130 -5.4220 22.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0590 -6.3360 22.9800 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9180 -5.5180 23.9470 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2890 -4.1650 23.3320 C 0 0 2 0 0 0 0 0 0 0 0 0
8.3690 -4.3030 21.8220 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5560 -3.5730 23.9060 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1330 -2.0750 24.3070 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8190 -0.8660 24.2550 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0200 -0.7620 24.9240 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5490 -1.8270 25.6400 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8830 -3.0280 25.7130 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6710 -3.1410 25.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6120 -4.5120 24.9350 S 0 0 0 0 0 0 0 0 0 0 0 0
8.7300 -3.6660 18.5240 R 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0
2 4 1 0
3 4 2 0
1 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
1 10 1 0
9 10 1 0
5 11 2 0
9 11 1 1
5 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
12 17 1 0
16 17 2 0
11 18 1 0
17 18 1 0
2 19 1 0
M END