fragmenstein/demo/mpro_mols/Mpro-6xqu.mol
RDKit 3D
37 39 0 0 0 0 0 0 0 0999 V2000
11.3500 4.8360 23.2170 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9040 5.7880 22.4250 N 0 0 0 0 0 0 0 0 0 0 0 0
11.6830 4.6160 24.3880 O 0 0 0 0 0 0 0 0 0 0 0 0
13.1260 6.5730 22.7300 C 0 0 1 0 0 0 0 0 0 0 0 0
14.3100 5.6310 22.9040 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3900 7.5160 21.5670 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9050 7.3740 24.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3720 4.1430 22.5830 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7010 3.0670 23.2860 C 0 0 1 0 0 0 0 0 0 0 0 0
8.2080 3.3930 23.5780 C 0 0 2 0 0 0 0 0 0 0 0 0
7.5410 2.1960 24.2580 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4500 3.7170 22.2900 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1260 4.6040 24.5090 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9170 1.7800 22.4720 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7010 1.7800 21.2720 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3390 0.6760 23.1070 N 0 0 0 0 0 0 0 0 0 0 0 0
10.7660 0.5180 24.5020 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4100 -0.5740 22.3560 C 0 0 1 0 0 0 0 0 0 0 0 0
11.3810 -1.4470 23.1790 C 0 0 2 0 0 0 0 0 0 0 0 0
11.5580 -0.7810 24.5300 C 0 0 1 0 0 0 0 0 0 0 0 0
12.7480 -0.9740 23.6200 C 0 0 2 0 0 0 0 0 0 0 0 0
13.3930 0.2500 22.9600 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7530 -2.0730 23.9670 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0220 -1.2270 22.2770 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3160 -1.3350 23.2720 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6620 -1.6640 21.0640 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3880 -2.3100 20.7770 C 0 0 1 0 0 0 0 0 0 0 0 0
6.7160 -1.5860 19.6080 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5540 -0.0790 19.7730 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5410 0.4160 20.8160 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8210 0.6700 18.6440 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6320 0.9130 19.6360 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5690 -4.2240 21.3820 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6420 -3.7880 20.4110 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4620 -4.4480 19.7220 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3650 -4.5930 20.5540 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3060 -5.4740 21.5380 N 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0
3 1 2 0
4 2 1 0
4 5 1 1
6 4 1 0
7 4 1 0
8 1 1 0
9 8 1 6
10 9 1 0
10 11 1 1
12 10 1 0
13 10 1 0
14 9 1 0
15 14 2 0
16 14 1 0
17 16 1 0
18 16 1 0
19 18 1 6
20 17 1 6
20 19 1 0
21 20 1 0
21 19 1 0
21 22 1 6
23 21 1 0
18 24 1 1
25 24 2 0
26 24 1 0
27 26 1 0
27 28 1 6
29 28 1 6
30 29 1 0
31 29 1 0
32 31 1 0
32 30 1 0
34 33 1 1
34 27 1 0
36 35 2 0
36 34 1 0
37 36 1 0
M END