Table 1.

Potential energy surface analysis of 5TDOP.

No. of Conformations	Scan coordinate (angle)	Total energy (hartree)
1	-178.7623	-1242.0528
2	-168.7623	-1242.0526
3	-158.7623	-1242.0518
4	-148.7623	-1242.0507
5	-138.7623	-1242.0494
6	-128.7623	-1242.0483
7	-118.7623	-1242.0476
8	-108.7623	-1242.0475
9	-98.7623	-1242.0482
10	-88.7623	-1242.0495
11	-78.7623	-1242.0510
12	-68.7623	-1242.0521
13	-58.7623	-1242.0527
14	-48.7623	-1242.0526
15	-38.7623	-1242.0519
16	-28.7623	-1242.0508
17	-18.7623	-1242.0495
18	-8.7623	-1242.0484
19	1.2377	-1242.0477
20	11.2377	-1242.0475
21	21.2377	-1242.0483
22	31.2377	-1242.0497
23	41.2377	-1242.0512
24	51.2377	-1242.0523
25	61.2377	-1242.0528
26	71.2377	-1242.0526
27	81.2377	-1242.0518
28	91.2377	-1242.0506
29	101.2377	-1242.0494
30	111.2377	-1242.0484
31	121.2377	-1242.0477
32	131.2377	-1242.0475
33	141.2377	-1242.0482
34	151.2377	-1242.0495
35	161.2377	-1242.0510
36	171.2377	-1242.0522
37	181.2377	-1242.0528