fragmenstein/demo/mpro_mols/Mpro-x10049.mol
x10049
RDKit 3D
21 22 0 0 0 0 0 0 0 0999 V2000
7.6020 -0.6780 25.6250 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9160 0.7690 24.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8590 1.7530 25.4380 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0630 -0.7560 25.4780 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9020 -0.3940 23.8430 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9290 0.8060 26.6390 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6560 4.7600 23.9990 S 0 0 2 0 0 0 0 0 0 0 0 0
9.4520 -0.4690 24.0380 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4090 4.9850 23.0160 N 0 0 0 0 0 0 0 0 0 0 0 0
10.1320 4.5690 25.3200 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5210 -1.6560 23.4240 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5740 5.8370 23.7740 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4110 -1.4800 22.2070 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4300 -0.3880 22.4350 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7550 0.9030 22.8210 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2960 2.1400 22.4820 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6630 3.3180 22.8330 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4720 3.2630 23.5370 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9070 2.0460 23.8920 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5450 0.8600 23.5240 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8440 0.7500 25.5400 S 0 0 2 0 0 0 0 0 0 0 0 0
1 4 1 0
4 8 1 0
5 8 1 0
7 9 1 1
7 10 2 0
5 11 1 0
7 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 2 0
7 18 1 0
17 18 1 0
18 19 2 0
5 20 1 0
15 20 2 0
19 20 1 0
1 21 1 0
21 2 1 6
3 21 2 0
6 21 2 0
M END