fragmenstein/demo/mpro_mols/Mpro-7c6s.mol
RDKit 3D
37 39 0 0 0 0 0 0 0 0999 V2000
11.3280 4.4190 23.3410 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0960 5.1450 22.4970 N 0 0 0 0 0 0 0 0 0 0 0 0
11.5190 4.3360 24.5690 O 0 0 0 0 0 0 0 0 0 0 0 0
13.3240 5.8880 22.8480 C 0 0 1 0 0 0 0 0 0 0 0 0
13.9560 6.4170 21.5680 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9570 7.0510 23.7590 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2930 4.9500 23.5550 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3000 3.7720 22.7580 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6190 2.6750 23.4240 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1500 3.0090 23.7390 C 0 0 2 0 0 0 0 0 0 0 0 0
7.3890 3.4120 22.4720 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0790 4.1670 24.7370 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4600 1.7900 24.3580 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8090 1.4100 22.5890 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3850 1.3270 21.4400 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4900 0.3950 23.1470 N 0 0 0 0 0 0 0 0 0 0 0 0
11.1420 0.4180 24.4640 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5910 -0.8860 22.4460 C 0 0 1 0 0 0 0 0 0 0 0 0
11.5770 -1.6860 23.2770 C 0 0 2 0 0 0 0 0 0 0 0 0
11.9060 -0.8890 24.5230 C 0 0 1 0 0 0 0 0 0 0 0 0
12.9790 -1.1710 23.5060 C 0 0 1 0 0 0 0 0 0 0 0 0
14.0250 -2.2120 23.8410 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5330 -0.0230 22.6890 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2400 -1.5880 22.4210 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.4560 -2.5500 21.0380 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5260 -1.6230 20.2600 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1470 -0.4100 21.0940 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0460 0.5140 20.5650 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 -0.6350 22.3170 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6580 0.7420 22.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5220 -4.7270 21.1040 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5660 -3.9480 20.3960 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4120 -4.4130 19.5080 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2150 -4.6500 20.3840 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8870 -5.6380 21.4300 N 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0
3 1 2 0
4 2 1 0
4 5 1 6
6 4 1 0
7 4 1 0
8 1 1 0
9 8 1 6
10 9 1 0
10 11 1 6
12 10 1 0
13 10 1 0
14 9 1 0
15 14 2 0
16 14 1 0
17 16 1 0
18 16 1 0
19 18 1 6
20 19 1 0
20 17 1 6
21 20 1 0
21 19 1 0
21 22 1 1
23 21 1 0
18 24 1 1
25 24 2 0
26 24 1 0
27 26 1 0
27 28 1 6
29 28 1 6
30 29 1 0
31 29 1 0
32 30 1 0
32 31 1 0
34 33 1 1
34 27 1 0
36 35 2 0
36 34 1 0
37 36 1 0
M END