fragmenstein/demo/mpro_mols/Mpro-6y2g.mol
RDKit 3D
43 46 0 0 0 0 0 0 0 0999 V2000
9.3310 5.7940 24.4470 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1520 5.5370 23.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6750 6.5430 22.3480 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6680 7.4230 22.8040 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6850 6.6960 23.7350 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8560 7.9150 21.6180 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4370 8.5610 23.4810 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3630 4.3640 22.7300 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7980 3.2800 23.3950 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9500 2.0590 22.5670 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6760 2.0510 21.3030 O 0 0 0 0 0 0 0 0 0 0 0 0
10.0780 3.2180 24.7650 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5060 2.0300 25.3400 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6610 0.9000 24.5780 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4130 0.9230 23.2590 N 0 0 0 0 0 0 0 0 0 0 0 0
10.4710 -0.2470 22.4130 C 0 0 1 0 0 0 0 0 0 0 0 0
11.3030 -1.4070 22.9710 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7410 -1.0090 23.3090 C 0 0 2 0 0 0 0 0 0 0 0 0
13.6600 -0.5710 22.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8640 -1.9330 22.8330 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0250 -0.6680 22.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0930 -0.5280 23.0070 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8060 -1.1790 20.9730 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4680 -1.7140 20.6010 C 0 0 1 0 0 0 0 0 0 0 0 0
6.9250 -1.0460 19.3230 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4580 0.4130 19.5270 C 0 0 1 0 0 0 0 0 0 0 0 0
6.0000 1.0770 18.2160 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6300 1.0360 17.1300 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8430 1.7080 18.4430 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2560 1.4690 19.7680 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2800 0.5560 20.4850 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7700 -3.2130 20.4240 C 0 0 1 0 0 0 0 0 0 0 0 0
8.4860 -3.8780 21.5080 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5390 -3.9920 20.1780 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9600 -3.9070 19.1210 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1090 -4.8470 20.9630 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2970 -5.3560 22.2560 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0520 -4.9720 23.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9960 -5.8670 23.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8800 -5.5180 23.9110 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8100 -4.2760 24.5740 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8710 -3.3840 24.4540 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9880 -3.7250 23.6950 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 0
3 2 1 0
4 3 1 0
4 5 1 1
6 4 1 0
7 4 1 0
8 2 1 0
9 8 1 0
10 9 1 0
11 10 2 0
12 9 2 0
13 12 1 0
14 13 2 0
15 14 1 0
15 10 1 0
16 15 1 0
16 17 1 1
18 17 1 6
19 18 1 0
20 19 1 0
20 18 1 0
21 16 1 0
22 21 2 0
23 21 1 0
24 23 1 0
24 25 1 6
26 25 1 6
27 26 1 0
28 27 2 0
29 27 1 0
30 29 1 0
31 30 1 0
31 26 1 0
32 24 1 0
32 33 1 1
34 32 1 0
35 34 2 0
36 34 1 0
37 36 1 0
38 37 1 0
39 38 2 0
40 39 1 0
41 40 2 0
42 41 1 0
43 42 2 0
43 38 1 0
M END