fragmenstein/demo/mpro_mols/Mpro-x3305.mol
x3305
RDKit 3D
26 28 0 0 0 0 0 0 0 0999 V2000
4.5920 -6.3560 23.5620 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4840 -7.1610 24.0590 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0300 -3.2070 20.7140 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9680 -5.1400 23.9820 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8150 -2.5170 22.7090 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0970 -4.8490 23.2760 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5440 -1.5290 20.7520 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0750 -3.7320 23.4520 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0460 1.4130 17.1760 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7350 -2.4460 21.3640 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3380 -5.8810 22.4270 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6080 -0.7720 21.4340 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4230 -6.8050 22.6020 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6040 -1.6720 22.1680 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8690 -0.9670 22.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8390 0.0340 23.5610 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0010 0.6980 23.9260 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2020 0.3750 23.3270 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2470 -0.6250 22.3770 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0890 -1.2980 22.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4800 -1.3710 19.2940 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6110 -0.2170 18.8510 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6030 0.2810 19.6620 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8240 1.3390 19.2290 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0770 1.8650 17.9820 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7890 0.3910 17.6210 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 4 1 0
4 6 2 0
5 8 1 0
6 8 1 0
3 10 2 0
5 10 1 0
7 10 1 0
6 11 1 0
7 12 1 0
1 13 1 0
11 13 2 0
12 14 1 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 19 1 0
15 20 1 0
19 20 2 0
7 21 1 0
21 22 1 0
22 23 1 0
23 24 2 0
9 25 2 0
24 25 1 0
9 26 1 0
22 26 2 0
M END