fragmenstein/demo/mpro_mols/Mpro-x2540.mol
x2540
RDKit 3D
29 30 0 0 0 0 0 0 0 0999 V2000
7.5660 -1.1090 21.6630 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0180 -4.1010 19.8680 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5440 -2.0870 21.4650 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3890 -3.5650 21.1970 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9690 1.9710 22.8400 N 0 0 0 0 0 0 0 0 0 0 0 0
9.1530 1.6180 20.9280 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7530 -2.2270 21.4420 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7040 0.1890 17.5220 N 0 0 0 0 0 0 0 0 0 0 0 0
9.8550 -1.9080 24.2580 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1860 0.2770 21.2930 C 0 0 1 0 0 0 0 0 0 0 0 0
8.5680 -1.9710 23.6710 N 0 0 0 0 0 0 0 0 0 0 0 0
8.2070 1.3650 21.6660 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7880 3.0380 23.4670 C 0 0 2 0 0 0 0 0 0 0 0 0
8.5870 2.9280 24.9710 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2820 4.3860 22.9730 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2690 2.8860 23.1410 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5870 0.4910 19.9120 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1700 -0.0220 18.7610 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6060 0.9470 17.4000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9390 1.4930 18.4790 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4400 1.2550 19.7470 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7210 -1.3610 22.4730 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6880 -1.2870 23.3980 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0630 -0.9390 22.2660 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1220 -1.0560 23.8180 C 0 0 1 0 0 0 0 0 0 0 0 0
12.9890 -0.7920 22.5830 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1870 0.1500 24.7580 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6550 -2.2900 24.5520 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4100 -3.7910 18.8590 R 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0
1 7 1 0
3 7 2 0
4 7 1 0
1 10 1 0
9 11 1 0
5 12 1 0
6 12 2 0
10 12 1 1
5 13 1 0
13 14 1 1
13 15 1 0
13 16 1 0
10 17 1 0
8 18 2 0
17 18 1 0
8 19 1 0
19 20 2 0
17 21 2 0
20 21 1 0
1 22 1 0
11 22 2 0
9 23 1 0
22 24 1 0
23 24 2 0
23 25 1 0
25 26 1 6
25 27 1 0
25 28 1 0
2 29 1 0
M END