fragmenstein/demo/mpro_mols/Mpro-x10942.mol
RDKit 3D
22 24 0 0 0 0 0 0 0 0999 V2000
6.3990 0.5040 17.6290 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5510 0.8090 20.2770 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3650 0.6160 24.0110 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2400 1.0830 21.2960 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2180 -0.1450 24.0780 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8610 1.4000 19.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6170 0.0830 21.6330 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7030 0.0710 19.9700 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0450 -0.0920 18.6310 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0080 0.3250 23.9630 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7250 -0.9130 22.2230 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8510 1.1510 24.5170 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2260 0.0050 23.1180 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3820 -1.2230 22.1750 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9980 0.8740 21.6790 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6140 -0.4150 20.9070 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6970 1.8000 22.4950 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2290 0.9600 24.9000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9880 -0.7300 22.8740 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3290 1.2410 17.9390 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4900 -0.5760 23.0290 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8160 -1.7150 21.1260 Cl 0 0 0 0 0 0 0 0 0 0 0 0
6 2 1 0
7 4 2 0
8 2 2 0
9 8 1 0
9 1 2 0
10 3 2 0
12 5 1 0
13 11 2 0
13 3 1 0
14 11 1 0
15 2 1 0
16 8 1 0
16 7 1 0
17 15 1 0
18 12 1 0
18 10 1 0
19 7 1 6
19 5 1 0
20 6 2 0
20 1 1 0
21 19 1 0
21 14 2 0
21 10 1 0
22 11 1 0
M END