fragmenstein/demo/mpro_mols/Mpro-7c8t.mol
RDKit 3D
43 45 0 0 0 0 0 0 0 0999 V2000
13.1700 6.6950 26.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2850 6.8200 24.7160 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9760 8.0360 24.1110 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5360 9.1160 24.8870 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4140 8.9850 26.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7370 7.7740 26.8710 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7760 5.6300 23.8730 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7710 5.1420 23.0050 O 0 0 0 0 0 0 0 0 0 0 0 0
11.8190 4.2370 23.4970 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6330 3.9950 22.7100 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6040 3.1780 23.2820 C 0 0 2 0 0 0 0 0 0 0 0 0
9.6460 1.8430 22.5590 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8090 0.6140 23.3020 N 0 0 0 0 0 0 0 0 0 0 0 0
9.8250 -0.6630 22.6800 C 0 0 2 0 0 0 0 0 0 0 0 0
8.4610 -1.0450 22.1240 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3950 -1.7110 20.8720 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1400 -2.1150 20.2930 C 0 0 2 0 0 0 0 0 0 0 0 0
7.3620 -3.4820 19.7680 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0980 -4.1040 19.8930 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7220 -1.1940 19.1320 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4270 0.2100 19.5680 C 0 0 2 0 0 0 0 0 0 0 0 0
5.1890 0.2570 20.4670 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6690 1.7120 20.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0080 1.9920 18.8690 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1070 1.0680 18.3950 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6000 1.0730 17.2740 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4670 -0.8410 22.7410 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3710 -1.7920 23.5480 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6050 -1.4200 24.4090 C 0 0 2 0 0 0 0 0 0 0 0 0
12.7260 -0.9050 23.4900 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1070 -0.9620 24.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4060 -2.3640 24.7170 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3630 -2.8730 25.7090 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9100 -2.6650 25.2690 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5490 1.8110 21.3940 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2960 3.9370 23.0810 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1180 3.0530 23.4890 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3910 5.1770 23.8260 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8550 6.3830 23.3180 C 0 0 1 0 0 0 0 0 0 0 0 0
7.8220 7.4070 24.4520 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7660 6.9780 22.2540 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4540 6.1970 22.7140 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9330 3.6700 24.5380 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 0
3 2 1 0
4 3 2 0
5 4 1 0
6 5 2 0
6 1 1 0
7 2 1 0
8 7 1 0
9 8 1 0
10 9 1 0
11 10 1 6
12 11 1 0
13 12 1 0
14 13 1 0
15 14 1 0
16 15 1 0
17 16 1 0
17 18 1 6
19 18 1 0
20 17 1 0
21 20 1 6
22 21 1 0
23 22 1 0
24 23 1 0
25 24 1 0
25 21 1 0
26 25 2 0
27 15 2 0
14 28 1 1
29 28 1 6
30 29 1 0
31 30 1 0
32 31 1 0
33 32 1 0
34 33 1 0
34 29 1 0
35 12 2 0
36 11 1 0
36 37 1 1
38 36 1 0
39 38 1 0
39 40 1 1
41 39 1 0
42 39 1 0
43 9 2 0
M END