Files
Delete/example/drd2/6CM4_ligand.sdf
HaotianZhang 7652568ecc update
2024-11-25 09:59:13 -08:00

71 lines
2.9 KiB
Plaintext

6CM4-ligand
OpenBabel02202322463D
30 34 0 0 0 0 0 0 0 0999 V2000
5.7980 4.5200 -12.8980 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1440 4.0330 -13.3650 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2620 4.6000 -12.9090 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2060 5.7460 -11.8970 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7980 5.2360 -10.5560 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8570 7.3230 -9.9030 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0850 8.3470 -8.7770 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5980 7.5820 -7.5530 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5690 6.5280 -7.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3630 5.5650 -8.2800 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9780 8.5130 -6.4340 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6040 9.3870 -4.5610 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3460 8.1840 -5.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4800 6.9760 -4.4820 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8930 7.0420 -3.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1580 8.2710 -2.5380 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0170 9.4710 -3.2390 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5440 4.0890 -13.3910 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8280 2.5500 -14.8120 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6590 1.6890 -16.0720 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6330 0.6130 -15.7710 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2570 1.2840 -15.6410 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3110 2.4650 -14.7030 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5550 8.2900 -1.2570 F 0 0 0 0 0 0 0 0 0 0 0 0
8.8820 6.2720 -9.4860 N 0 0 0 0 0 0 0 0 0 0 0 0
11.0470 9.8420 -6.5210 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5520 3.0330 -14.3060 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2090 2.9460 -14.2700 N 0 0 0 0 0 0 0 0 0 0 0 0
11.4040 10.3280 -5.4310 O 0 0 0 0 0 0 0 0 0 0 0 0
10.7140 4.6530 -12.9830 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
2 28 1 0 0 0 0
3 4 1 0 0 0 0
3 18 1 0 0 0 0
4 5 1 0 0 0 0
5 25 1 0 0 0 0
6 7 1 0 0 0 0
6 25 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
8 11 1 0 0 0 0
9 10 1 0 0 0 0
10 25 1 0 0 0 0
11 13 1 0 0 0 0
11 26 2 0 0 0 0
12 13 2 0 0 0 0
12 17 1 0 0 0 0
12 29 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
16 24 1 0 0 0 0
18 27 1 0 0 0 0
18 30 2 0 0 0 0
19 20 1 0 0 0 0
19 27 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 27 1 0 0 0 0
23 28 2 0 0 0 0
26 29 1 0 0 0 0
M END
$$$$