fragmenstein/demo/mpro_mols/Mpro-x0165.mol
x0165
RDKit 3D
16 17 0 0 0 0 0 0 0 0999 V2000
23.0270 -17.4800 24.2960 C 0 0 0 0 0 0 0 0 0 0 0 0
23.1360 -18.7140 24.0050 N 0 0 0 0 0 0 0 0 0 0 0 0
21.9350 -19.4280 24.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
22.0510 -20.9210 23.8070 C 0 0 0 0 0 0 0 0 0 0 0 0
22.7180 -21.1770 22.5770 N 0 0 0 0 0 0 0 0 0 0 0 0
23.9430 -20.4410 22.5120 C 0 0 0 0 0 0 0 0 0 0 0 0
23.7530 -18.9540 22.7720 C 0 0 0 0 0 0 0 0 0 0 0 0
22.1880 -22.0840 21.5610 C 0 0 0 0 0 0 0 0 0 0 0 0
21.1550 -22.6310 21.7520 O 0 0 0 0 0 0 0 0 0 0 0 0
22.8750 -22.3130 20.3080 N 0 0 0 0 0 0 0 0 0 0 0 0
22.3420 -23.2060 19.2950 C 0 0 0 0 0 0 0 0 0 0 0 0
21.9850 -24.5080 19.6050 C 0 0 0 0 0 0 0 0 0 0 0 0
21.4940 -25.3460 18.6120 C 0 0 0 0 0 0 0 0 0 0 0 0
21.3640 -24.8870 17.3090 C 0 0 0 0 0 0 0 0 0 0 0 0
21.7280 -23.5810 16.9950 C 0 0 0 0 0 0 0 0 0 0 0 0
22.2200 -22.7440 17.9890 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
2 7 1 0
6 7 1 0
5 8 1 0
8 9 2 0
8 10 1 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
11 16 1 0
15 16 2 0
M END