fragmenstein/demo/mpro_mols/Mpro-x10150.mol
x10150
RDKit 3D
25 27 0 0 0 0 0 0 0 0999 V2000
7.3760 -3.7920 21.2070 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3560 -2.6230 19.0510 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6780 -1.9970 26.9480 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8530 -3.7010 19.9590 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6090 -3.8610 24.0350 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0280 -4.5120 19.5710 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2920 -5.0660 21.9380 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6740 -4.0200 25.9570 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7620 -4.8350 23.3410 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2670 -3.7450 25.4580 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3200 -4.3700 26.3690 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2560 -2.8660 26.2990 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6830 -2.7060 25.8570 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6790 -3.2000 26.6700 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0090 -3.1200 26.2970 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3730 -2.5390 25.1220 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4000 -2.0120 24.2440 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7480 -1.4590 22.9890 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7830 -1.0220 22.1270 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4460 -1.0950 22.4710 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0640 -1.6030 23.6800 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0230 -2.0910 24.6080 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5360 -2.5680 23.3350 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0760 -2.7090 21.9160 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8040 -3.4490 18.4240 R 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0
2 4 1 0
4 6 2 0
1 7 1 0
5 9 1 0
7 9 1 0
5 10 1 0
8 11 1 0
10 11 1 0
3 12 2 0
8 12 1 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 1 0
18 19 2 0
19 20 1 0
20 21 2 0
13 22 1 0
17 22 2 0
21 22 1 0
5 23 1 0
1 24 1 0
23 24 1 0
2 25 1 0
M END