fragmenstein/demo/mpro_mols/Mpro-x3110.mol
x3110
RDKit 3D
33 34 0 0 0 0 0 0 0 0999 V2000
8.0190 1.6030 23.0140 N 0 0 0 0 0 0 0 0 0 0 0 0
13.2940 5.4520 22.5750 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1740 3.5750 23.4800 O 0 0 0 0 0 0 0 0 0 0 0 0
13.2640 4.0060 22.6100 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4760 -1.3910 21.6660 N 0 0 0 0 0 0 0 0 0 0 0 0
11.1770 2.5890 21.7350 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2170 2.8400 22.9110 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5680 0.3790 17.6830 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9990 1.3700 20.9960 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1890 2.3930 23.9040 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5160 -2.4970 21.5020 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7970 2.7620 23.4300 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1290 1.0530 21.8050 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0560 0.0160 21.4350 C 0 0 1 0 0 0 0 0 0 0 0 0
6.6880 -2.3950 21.1760 C 0 0 1 0 0 0 0 0 0 0 0 0
7.2210 -3.2120 20.0160 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9420 -4.4660 20.4320 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7130 -1.6510 22.3570 C 0 0 1 0 0 0 0 0 0 0 0 0
9.9210 -1.6330 21.6670 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1200 -1.6980 22.3550 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1550 -1.7980 23.7440 C 0 0 2 0 0 0 0 0 0 0 0 0
9.9420 -1.8580 24.4260 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7340 -1.7880 23.7470 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4800 -1.7740 24.5200 C 0 0 2 0 0 0 0 0 0 0 0 0
12.6150 -0.4430 25.2570 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6810 -1.9230 23.5880 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5440 -2.9100 25.5520 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4100 0.3180 20.0890 C 0 0 2 0 0 0 0 0 0 0 0 0
7.0300 0.0120 18.8840 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4310 1.0820 17.6530 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7270 1.4340 18.7900 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2270 1.0410 20.0170 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2220 -3.6500 18.8100 R 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0
3 4 1 0
3 7 1 0
6 7 1 0
7 10 1 0
1 12 1 0
10 12 1 0
1 13 1 0
9 13 1 0
5 14 1 0
14 13 1 6
5 15 1 0
15 11 1 6
15 16 1 0
16 17 1 0
18 5 1 1
18 19 1 0
19 20 1 0
21 20 1 6
21 22 1 0
18 23 1 0
22 23 1 0
21 24 1 0
24 25 1 1
24 26 1 0
24 27 1 0
14 28 1 0
8 29 1 0
28 29 1 6
8 30 1 0
30 31 1 0
28 32 1 0
31 32 1 0
16 33 1 1
M END