fragmenstein/demo/mpro_mols/Mpro-x3359.mol
x3359
RDKit 3D
28 29 0 0 0 0 0 0 0 0999 V2000
7.9390 1.7510 22.9480 N 0 0 0 0 0 0 0 0 0 0 0 0
10.1790 1.9060 23.9360 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0090 1.3490 20.9960 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9460 2.6530 23.4980 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4420 -1.3410 21.7790 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5270 -2.2630 21.0100 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1020 1.1150 21.7870 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5260 0.2020 17.7080 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0310 0.0590 21.4680 C 0 0 1 0 0 0 0 0 0 0 0 0
6.6530 -2.4100 21.4540 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2200 -3.7970 21.6200 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1070 -4.5730 20.3450 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6660 -1.5020 22.5160 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6480 -1.5540 23.9080 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8310 -1.6840 24.6160 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0590 -1.7590 23.9630 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0640 -1.7250 22.5700 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8870 -1.6000 21.8500 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3620 -1.8110 24.7730 C 0 0 1 0 0 0 0 0 0 0 0 0
12.5650 -0.4800 25.5010 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3130 -2.9360 25.8190 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5910 -2.0530 23.8910 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3850 0.3060 20.1130 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9810 -0.1080 18.9280 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4180 0.9470 17.6400 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7400 1.4040 18.7520 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2340 1.0730 19.9990 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0860 -3.8290 19.0140 R 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0
2 4 1 0
1 7 1 0
3 7 2 0
5 9 1 0
9 7 1 6
5 10 1 0
6 10 2 0
10 11 1 0
11 12 1 0
5 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 17 1 0
13 18 1 0
17 18 2 0
16 19 1 0
19 20 1 1
19 21 1 0
19 22 1 0
9 23 1 0
8 24 2 0
23 24 1 0
8 25 1 0
25 26 2 0
23 27 2 0
26 27 1 0
12 28 1 0
M END