fragmenstein/demo/mpro_mols/Mpro-x0478.mol
x0478
RDKit 3D
15 15 0 0 0 0 0 0 0 0999 V2000
16.1720 2.2960 -14.6870 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9820 3.2160 -14.0250 O 0 0 0 0 0 0 0 0 0 0 0 0
16.7160 3.2430 -12.6630 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8160 3.9070 -12.2720 O 0 0 0 0 0 0 0 0 0 0 0 0
17.5740 2.3960 -11.7350 C 0 0 0 0 0 0 0 0 0 0 0 0
18.6690 1.7180 -12.2330 C 0 0 0 0 0 0 0 0 0 0 0 0
19.4450 0.9430 -11.3920 C 0 0 0 0 0 0 0 0 0 0 0 0
19.1380 0.8380 -10.0510 C 0 0 0 0 0 0 0 0 0 0 0 0
18.0460 1.5170 -9.5420 C 0 0 0 0 0 0 0 0 0 0 0 0
17.7430 1.3840 -8.1240 N 0 0 0 0 0 0 0 0 0 0 0 0
17.4130 2.7410 -7.1420 S 0 0 1 0 0 0 0 0 0 0 0 0
17.1880 2.3390 -5.7410 O 0 0 0 0 0 0 0 0 0 0 0 0
18.5810 3.6120 -7.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.0020 3.6260 -7.7320 C 0 0 0 0 0 0 0 0 0 0 0 0
17.2690 2.2950 -10.3940 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
3 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 2 0
11 14 1 6
5 15 1 0
9 15 2 0
M END