fragmenstein/demo/mpro_mols/Mpro-7cbt.mol
RDKit 3D
29 30 0 0 0 0 0 0 0 0999 V2000
10.4230 4.1820 22.5280 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1360 3.1320 23.4250 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8150 1.9110 22.8000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3410 1.8460 21.7160 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1680 5.0660 22.3440 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2770 6.4670 22.3790 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1430 7.2550 22.2180 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9120 6.6320 22.0070 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7970 5.2370 21.9600 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9300 4.4520 22.1350 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0860 0.6650 23.4850 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2930 -0.4750 22.6380 C 0 0 2 0 0 0 0 0 0 0 0 0
8.8970 -0.9140 22.1210 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8360 -0.8250 22.6970 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9670 -1.6260 23.3450 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4260 -1.2580 23.6110 C 0 0 2 0 0 0 0 0 0 0 0 0
13.2200 -0.7360 22.4130 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1820 -2.5150 24.0830 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8720 -1.5200 20.7990 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5940 -1.9800 20.2490 C 0 0 2 0 0 0 0 0 0 0 0 0
7.8360 -3.4560 20.0470 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7100 -4.1440 19.7740 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1770 -1.1570 19.0510 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7640 0.3180 19.4400 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5810 0.3170 20.4510 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5460 1.2210 19.9230 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9820 1.6660 18.5360 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3460 1.0840 18.2740 C 0 0 1 0 0 0 0 0 0 0 0 0
6.9840 1.3000 17.3100 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
5 1 1 0
6 5 1 0
7 6 1 0
8 7 1 0
9 8 1 0
10 9 1 0
10 5 1 0
11 3 1 0
12 11 1 0
13 12 1 0
14 13 1 0
12 15 1 1
16 15 1 0
16 17 1 6
18 16 1 0
19 13 1 0
20 19 1 0
20 21 1 6
22 21 1 0
23 20 1 0
24 23 1 6
25 24 1 0
26 25 1 0
27 26 1 0
28 27 1 0
28 24 1 0
28 29 1 1
M END