help on job https://mobyle.rpbs.univ-paris-diderot.fr/data/jobs/FAF-Drugs4/H05745932275057.

C:\Users\ASUS\Desktop\thesis 4EY6 pdb\guss viwe\log GNT.pdb.pdb
OpenBabel03042300573D

42 45 0 0 1 0 0 0 0 0999 V2000
0.5160 1.7080 1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3760 2.6180 1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4420 3.1510 0.5000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0680 2.8800 -0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6120 1.4450 -1.1430 C 0 0 1 0 0 0 0 0 0 0 0 0
0.5900 1.0210 -0.2530 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7010 0.5450 -0.7260 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7350 -1.8270 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9640 -2.8810 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3890 -2.7160 0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4890 -1.3390 0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2970 -0.6880 -0.2530 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1880 0.7790 -0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9150 1.2620 -0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0910 -0.6180 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2470 -0.4480 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0230 -1.4950 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8060 -3.1000 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0710 -1.8810 -0.3930 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7370 2.6030 0.8170 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6910 -1.1570 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2220 1.3650 1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4010 2.9910 2.4370 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5400 4.2160 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2660 3.5420 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9320 3.0700 -1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3900 1.2200 -2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4040 -3.8460 0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9530 -3.5610 0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5800 -0.8020 1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8950 -2.3280 0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0290 1.1540 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2640 1.2070 0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0100 2.3300 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8730 0.7570 -1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8210 -2.8670 -0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4280 -3.8920 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7750 -3.4210 0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7570 1.6900 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2070 -0.7290 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2400 -0.8910 0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7060 -2.2330 -0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 22 1 0 0 0 0
2 23 1 0 0 0 0
3 24 1 1 0 0 0
3 20 1 0 0 0 0
3 2 1 0 0 0 0
4 3 1 0 0 0 0
5 4 1 0 0 0 0
5 7 1 0 0 0 0
5 6 1 1 0 0 0
6 16 1 1 0 0 0
6 1 1 0 0 0 0
7 15 1 0 0 0 0
8 9 1 0 0 0 0
9 28 1 0 0 0 0
9 10 2 0 0 0 0
10 29 1 0 0 0 0
11 31 1 0 0 0 0
11 30 1 0 0 0 0
12 11 1 0 0 0 0
13 12 1 0 0 0 0
13 33 1 0 0 0 0
14 13 1 0 0 0 0
14 6 1 0 0 0 0
15 8 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 10 1 0 0 0 0
17 11 1 0 0 0 0
18 38 1 0 0 0 0
19 18 1 0 0 0 0
19 8 1 0 0 0 0
21 12 1 0 0 0 0
21 41 1 0 0 0 0
25 4 1 0 0 0 0
26 4 1 0 0 0 0
27 5 1 0 0 0 0
32 13 1 0 0 0 0
34 14 1 0 0 0 0
35 14 1 0 0 0 0
36 18 1 0 0 0 0
37 18 1 0 0 0 0
39 20 1 0 0 0 0
40 21 1 0 0 0 0
42 21 1 0 0 0 0
M END

 galantamine

1 File created by GaussView 6.0.16

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Session information:

Job information:

  • id: RPBS Web Portal
  • date: Wed, 10 May 2023 17:33:58 +0000
  • status: finished
  • user error in parameter: None
  • user error message: None