fragmenstein/demo/mpro_mols/Mpro-x1412.mol
x1412
RDKit 3D
17 18 0 0 0 0 0 0 0 0999 V2000
6.9510 -2.9280 21.0150 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1400 -2.5550 18.5790 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7500 -4.1840 19.6030 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5590 -3.2800 19.7740 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2500 -2.7870 23.5260 N 0 0 0 0 0 0 0 0 0 0 0 0
8.2890 -1.3540 25.2870 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5240 -3.7460 22.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6930 -4.0520 23.0550 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7820 -1.9950 22.4170 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6940 -1.7170 21.3940 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3930 -2.4950 24.8430 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6840 -3.5860 25.7150 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5790 -4.6070 25.4640 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4490 -5.6380 26.4150 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6740 -5.2950 27.4670 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9130 -3.7950 27.2410 S 0 0 0 0 0 0 0 0 0 0 0 0
8.7580 -3.2860 18.2660 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
5 8 1 0
7 8 1 0
5 9 1 0
1 10 1 0
9 10 1 0
5 11 1 0
6 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
12 16 1 0
15 16 1 0
2 17 1 0
M END