fragmenstein/demo/mpro_mols/Mpro-x1101.mol
x1101
RDKit 3D
30 32 0 0 0 0 0 0 0 0999 V2000
23.7470 -8.0930 3.6380 N 0 0 0 0 0 0 0 0 0 0 0 0
25.1130 -7.2150 5.4870 C 0 0 0 0 0 0 0 0 0 0 0 0
23.6950 -7.2560 4.8730 C 0 0 2 0 0 0 0 0 0 0 0 0
23.8070 -6.0260 2.3760 N 0 0 0 0 0 0 0 0 0 0 0 0
22.6110 -7.7160 5.8760 C 0 0 0 0 0 0 0 0 0 0 0 0
24.3160 -5.8920 -0.0320 N 0 0 0 0 0 0 0 0 0 0 0 0
24.1520 -9.5190 3.8000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.7770 -8.1510 -1.0330 N 0 0 0 0 0 0 0 0 0 0 0 0
23.9610 -7.4170 2.3980 C 0 0 0 0 0 0 0 0 0 0 0 0
24.8140 -9.4540 -0.6030 N 0 0 0 0 0 0 0 0 0 0 0 0
23.9910 -5.3730 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0
24.4630 -7.2790 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0
25.0690 -7.7890 -2.4320 C 0 0 0 0 0 0 0 0 0 0 0 0
24.5360 -9.4520 0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0
24.3000 -8.1070 1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0
28.1330 21.8230 -2.2590 N 0 0 0 0 0 0 0 0 0 0 0 0
27.5300 23.3620 -4.1660 C 0 0 0 0 0 0 0 0 0 0 0 0
28.6590 22.5210 -3.5050 C 0 0 1 0 0 0 0 0 0 0 0 0
27.8330 19.7590 -3.4800 N 0 0 0 0 0 0 0 0 0 0 0 0
29.9100 23.4070 -3.2750 C 0 0 0 0 0 0 0 0 0 0 0 0
27.8240 17.5060 -2.5000 N 0 0 0 0 0 0 0 0 0 0 0 0
28.3100 22.5340 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0
28.0320 17.5530 -0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0
27.9900 20.3870 -2.2600 C 0 0 0 0 0 0 0 0 0 0 0 0
28.1430 18.5030 0.9830 N 0 0 0 0 0 0 0 0 0 0 0 0
27.7630 18.3850 -3.5210 C 0 0 0 0 0 0 0 0 0 0 0 0
27.9620 18.1400 -1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0
28.0210 16.1130 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0
28.1560 19.7100 0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0
28.0470 19.5700 -1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0
3 2 1 1
3 5 1 0
1 7 1 0
1 9 1 0
4 9 2 0
8 10 1 0
4 11 1 0
6 11 2 0
6 12 1 0
8 12 1 0
8 13 1 0
10 14 2 0
9 15 1 0
12 15 2 0
14 15 1 0
16 18 1 0
18 17 1 1
18 20 1 0
16 22 1 0
16 24 1 0
19 24 1 0
23 25 1 0
19 26 1 0
21 26 1 0
21 27 1 0
23 27 1 0
23 28 1 0
25 29 1 0
24 30 1 0
27 30 1 0
29 30 1 0
M END