fragmenstein/demo/mpro_mols/Mpro-x10645.mol
RDKit 3D
22 24 0 0 0 0 0 0 0 0999 V2000
5.0570 0.9160 21.2740 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5040 -0.4110 20.8580 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7970 1.1990 21.7100 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1400 0.8810 23.8120 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9630 1.3290 20.9730 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1280 -0.4020 22.6540 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5470 0.7480 19.9540 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7520 0.0540 19.7550 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2420 -0.0600 18.4580 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4920 1.1570 17.6130 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8480 0.4360 23.5520 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9530 -0.6350 22.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0050 -1.2130 21.5330 F 0 0 0 0 0 0 0 0 0 0 0 0
9.3690 0.5470 23.8820 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2090 0.3550 23.1020 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6880 -1.1000 21.8840 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6420 1.2550 23.2020 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6350 0.4870 17.4000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8470 1.3960 20.9500 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5360 0.2620 21.4130 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9020 1.3080 18.8530 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6450 -0.5140 22.5920 C 0 0 0 0 0 0 0 0 0 0 0 0
3 1 1 0
7 1 1 0
8 7 2 0
8 2 1 0
9 8 1 0
11 4 2 0
13 12 1 0
14 11 1 0
14 6 1 0
15 12 2 0
15 4 1 0
16 12 1 0
17 3 1 0
18 10 1 0
18 9 2 0
19 3 2 0
20 5 2 0
20 2 1 0
6 20 1 6
21 10 2 0
21 7 1 0
22 11 1 0
22 6 1 0
22 16 2 0
M END