fragmenstein/demo/mpro_mols/Mpro-x1351.mol
x1351
RDKit 3D
19 20 0 0 0 0 0 0 0 0999 V2000
6.6500 -4.1930 21.3370 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9120 -3.0290 19.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5160 -4.9060 19.5200 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3070 -4.1220 20.0280 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9190 -2.7410 25.2610 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7740 -2.8120 26.5430 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9950 -5.1190 22.2730 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3910 -4.3640 23.4520 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4530 -3.5060 24.1290 C 0 0 1 0 0 0 0 0 0 0 0 0
7.0680 -2.5640 23.1040 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6840 -3.3690 21.9710 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7270 -2.2470 26.2290 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3490 -0.9480 26.8740 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0090 -0.5990 28.0480 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7180 0.5910 28.6960 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7730 1.4470 28.1780 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1180 1.1180 27.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4030 -0.0700 26.3560 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5480 -3.3910 18.4720 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 7 1 0
7 8 1 0
9 5 1 1
8 9 1 0
9 10 1 0
1 11 1 0
10 11 1 0
5 12 1 0
6 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 17 1 0
13 18 1 0
17 18 2 0
2 19 1 0
M END