fragmenstein/demo/mpro_mols/Mpro-7brp.mol
RDKit 3D
37 39 0 0 0 0 0 0 0 0999 V2000
11.3460 4.8400 22.9230 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8870 5.9170 22.0710 N 0 0 0 0 0 0 0 0 0 0 0 0
11.8170 4.5780 23.9780 O 0 0 0 0 0 0 0 0 0 0 0 0
13.0810 6.6920 22.4720 C 0 0 2 0 0 0 0 0 0 0 0 0
14.2480 5.6800 22.5630 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9030 7.4000 23.8360 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3630 7.7250 21.3510 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1710 4.0990 22.4220 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6200 3.0570 23.2370 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1760 3.4230 23.6490 C 0 0 1 0 0 0 0 0 0 0 0 0
7.5060 2.2100 24.3360 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2120 4.6350 24.6080 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3560 3.8090 22.3990 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6620 1.7540 22.4470 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0990 1.6220 21.4220 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4690 0.6090 23.0040 N 0 0 0 0 0 0 0 0 0 0 0 0
11.3040 0.5640 24.2880 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6710 -0.7510 22.4200 C 0 0 1 0 0 0 0 0 0 0 0 0
11.2900 -1.7490 23.3620 C 0 0 2 0 0 0 0 0 0 0 0 0
11.4750 -0.9000 24.6500 C 0 0 1 0 0 0 0 0 0 0 0 0
12.5540 -0.8620 23.5260 C 0 0 2 0 0 0 0 0 0 0 0 0
13.1070 0.1850 22.4540 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7560 -1.7070 24.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2470 -1.3210 22.2840 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5600 -1.4180 23.2350 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7130 -1.7910 20.9800 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3650 -2.3390 20.9650 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4330 -1.4400 20.1330 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0820 -0.1210 20.9680 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0990 0.6970 20.2960 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4260 -0.4250 22.2160 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3730 0.7750 21.7800 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3410 -4.5130 21.0490 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4190 -3.7340 20.3620 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3280 -4.3480 19.4680 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0360 -4.3950 20.4040 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6060 -5.0790 21.6250 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 1
6 4 1 0
7 4 1 0
8 1 1 0
9 8 1 6
10 9 1 0
10 11 1 1
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 6
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