Table 2.

Important Dihedral Angles (°) of Optimized Predominant Conformers at the B3LYP/6–31G* Level in the Gas Phase.

	1a1	1a2	1b1	1b2	1b3	1b4	2a5	2a6	3a1	4a1	4a2	4a5	4a6
H-C2-C3-H	179	179	173	177	178	177	173	173	−62	61	61	71	72
H-C3-C4-H	161	161	166	167	167	168	52	51	−82	−54	−54	−57	−58
C2′-C1′-C2-O1	154	−34	142	−46	146	−45	152	−34	146	−153	31	−169	14
C1′-C2-O1-C9	180	178	174	175	174	174	163	163	167	−164	−164	−175	−176
C2-O1-C9-C10	−26	−26	−20	−20	−20	−20	−9	−9	−12	13	13	20	21
C3-C4-C10-C9	−7	−6	−15	−14	−15	−16	−24	−24	−14	22	22	21	21
C1″-C4-C10-C9	−136	−136	−142	−142	−143	−143	104	104	114	153	153	152	153
C2″-C1″-C4-C10	−142	−142	−118	−118	−118	−117	157	157	−34	−53	−53	−57	−58