fragmenstein/demo/mpro_mols/Mpro-x10422.mol
x10422
RDKit 3D
20 21 0 0 0 0 0 0 0 0999 V2000
6.8920 0.4630 17.6270 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2920 0.7760 21.6200 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3530 1.0250 21.1270 O 0 0 0 0 0 0 0 0 0 0 0 0
14.1970 -1.6490 20.8950 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5.8320 0.6050 20.2240 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7820 -0.6000 21.0490 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1810 1.1820 19.1380 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7450 1.0990 17.8820 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5080 -0.1250 18.6580 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0380 -0.0730 19.9690 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8710 0.0000 21.5830 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4650 -0.6470 22.8520 C 0 0 1 0 0 0 0 0 0 0 0 0
8.7320 -0.0240 24.0550 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2180 -2.1660 22.8890 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9790 -0.3800 22.8840 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5420 0.5310 23.7750 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8950 0.8280 23.7250 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7140 0.2020 22.8000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1570 -0.7360 21.9510 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8070 -1.0210 21.9660 C 0 0 0 0 0 0 0 0 0 0 0 0
2 5 1 0
5 7 2 0
1 8 2 0
7 8 1 0
1 9 1 0
5 10 1 0
6 10 1 0
9 10 2 0
3 11 2 0
6 11 1 0
11 12 1 0
12 13 1 1
12 14 1 0
12 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
4 19 1 0
18 19 1 0
15 20 1 0
19 20 2 0
M END