fragmenstein/demo/mpro_mols/Mpro-6xmk.mol
RDKit 3D
31 32 0 0 0 0 0 0 0 0999 V2000
9.0270 7.6270 24.9210 C 0 0 2 0 0 0 0 0 0 0 0 0
10.0770 6.4890 25.1750 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5650 5.1270 24.6880 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0350 5.1470 23.2390 C 0 0 1 0 0 0 0 0 0 0 0 0
8.5240 3.7580 22.8150 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5320 1.5680 22.6270 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1580 -0.7750 22.4500 C 0 0 1 0 0 0 0 0 0 0 0 0
10.9890 -1.7890 23.2770 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4180 -1.3380 23.5740 C 0 0 1 0 0 0 0 0 0 0 0 0
13.2860 -2.4170 24.1880 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1260 -0.8090 22.3450 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7620 -1.3380 22.0830 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2340 -2.3790 20.4570 C 0 0 1 0 0 0 0 0 0 0 0 0
6.6150 -1.5490 19.2690 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0740 -0.2100 19.7630 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5600 0.6810 18.6670 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9040 0.8390 20.3630 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8660 -0.3320 20.7080 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4780 -3.8990 20.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9560 6.2320 23.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4790 7.5970 23.4830 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5540 8.8290 25.1920 F 0 0 0 0 0 0 0 0 0 0 0 0
8.0120 7.5420 25.7960 F 0 0 0 0 0 0 0 0 0 0 0 0
10.0850 0.4740 23.1910 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4900 -1.8300 20.8530 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3820 1.2510 19.0110 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2840 2.6770 23.3680 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2290 0.8120 17.6200 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2490 -4.4610 19.7300 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8650 -1.3230 22.9210 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2320 1.5590 21.4330 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0
3 2 1 0
4 3 1 0
4 5 1 1
7 8 1 1
9 8 1 0
9 10 1 6
11 9 1 0
12 7 1 0
13 14 1 6
15 14 1 6
16 15 1 0
18 17 1 0
18 15 1 0
19 13 1 0
20 4 1 0
21 20 1 0
21 1 1 0
1 22 1 1
23 1 1 0
24 7 1 0
24 6 1 0
25 13 1 0
25 12 1 0
26 17 1 0
26 16 1 0
27 6 1 0
27 5 1 0
28 16 1 0
29 19 1 0
30 12 1 0
31 6 1 0
M END