fragmenstein/demo/mpro_mols/Mpro-x10155.mol
x10155
RDKit 3D
23 25 0 0 0 0 0 0 0 0999 V2000
7.2670 -3.7440 21.2830 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3730 -2.6460 19.0910 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0430 -4.5330 19.5820 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8590 -3.7270 19.9880 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8430 -2.6880 23.8980 N 0 0 0 0 0 0 0 0 0 0 0 0
8.2910 -2.8990 21.9080 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3150 -3.9620 27.7190 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6280 -1.9460 22.8910 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1700 -1.7580 24.8010 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5230 -2.5460 25.8970 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1220 -3.3240 26.8220 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0780 -3.6610 27.4930 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9460 -4.0800 28.3850 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1130 -3.5510 29.7910 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6080 -4.3630 30.8020 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8300 -3.8580 32.0710 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5510 -2.5380 32.3510 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0510 -1.7230 31.3610 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8320 -2.2250 30.0880 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8570 -3.5840 23.2500 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5420 -4.5290 22.2820 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8050 -2.6030 26.1410 S 0 0 0 0 0 0 0 0 0 0 0 0
8.7140 -3.4100 18.3760 R 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0
2 4 1 0
3 4 2 0
1 6 1 0
5 8 1 0
6 8 1 0
5 9 1 0
9 10 1 0
7 11 1 0
10 11 2 0
7 12 2 0
12 13 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
14 19 1 0
18 19 2 0
5 20 1 0
1 21 1 0
20 21 1 0
10 22 1 0
12 22 1 0
2 23 1 0
M END