T4G

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C17	C16	doub	1.38Å	1.41Å	Aromatic
C17	C18	sing	1.38Å	1.41Å	Aromatic
C16	C15	sing	1.38Å	1.41Å	Aromatic
C18	C19	doub	1.38Å	1.41Å	Aromatic
C15	C14	doub	1.39Å	1.42Å	Aromatic
C19	C14	sing	1.40Å	1.42Å	Aromatic
C14	C5	sing	1.48Å	1.49Å
N3	C3	sing	1.38Å	1.34Å
N4	C5	doub	1.33Å	1.40Å	Aromatic
N4	C3	sing	1.33Å	1.38Å	Aromatic
C5	C6	sing	1.41Å	1.44Å	Aromatic
C3	N2	doub	1.33Å	1.37Å	Aromatic
N2	N1	sing	1.29Å	1.36Å	Aromatic
C6	N1	doub	1.33Å	1.41Å	Aromatic
C6	C7	sing	1.48Å	1.47Å
C7	C8	doub	1.40Å	1.41Å	Aromatic
C7	C11	sing	1.40Å	1.41Å	Aromatic
C8	C9	sing	1.38Å	1.41Å	Aromatic
C11	C10	doub	1.38Å	1.40Å	Aromatic
C9	C13	sing	1.51Å	1.51Å
C9	N5	doub	1.32Å	1.35Å	Aromatic
C10	N5	sing	1.32Å	1.35Å	Aromatic
C10	C12	sing	1.51Å	1.51Å
C11	H1	sing	1.08Å	1.08Å
C8	H2	sing	1.08Å	1.08Å
C17	H3	sing	1.08Å	1.08Å
C18	H4	sing	1.08Å	1.08Å
C19	H5	sing	1.08Å	1.08Å
C15	H6	sing	1.08Å	1.08Å
C16	H7	sing	1.08Å	1.08Å
N3	H8	sing	0.97Å	1.00Å
N3	H9	sing	0.97Å	1.00Å
C13	H10	sing	1.09Å	1.10Å
C13	H11	sing	1.09Å	1.10Å
C13	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C16	C17	C18	119.2°	120.3°
C17	C16	C15	119.8°	120.2°
C16	C17	H3	120.4°	119.9°
C17	C16	H7	120.1°	119.9°
C17	C18	C19	120.8°	120.1°
C18	C17	H3	120.4°	119.8°
C17	C18	H4	119.6°	120.0°
C16	C15	C14	121.7°	119.9°
C16	C15	H6	119.1°	120.1°
C15	C16	H7	120.1°	119.9°
C18	C19	C14	120.9°	119.9°
C19	C18	H4	119.6°	119.9°
C18	C19	H5	119.5°	120.1°
C15	C14	C19	117.5°	119.7°
C15	C14	C5	119.3°	120.2°
C14	C15	H6	119.1°	120.1°
C19	C14	C5	123.2°	120.1°
C14	C19	H5	119.6°	120.0°
C14	C5	N4	119.6°	120.8°
C14	C5	C6	125.9°	120.8°
N3	C3	N4	119.3°	119.4°
N3	C3	N2	118.3°	119.5°
C3	N3	H8	109.5°	120.1°
C3	N3	H9	109.5°	120.0°
C5	N4	C3	123.6°	119.4°
N4	C5	C6	114.5°	118.5°
N4	C3	N2	122.4°	121.0°
C5	C6	N1	118.9°	118.9°
C5	C6	C7	125.6°	120.5°
C3	N2	N1	115.6°	121.7°
N2	N1	C6	125.0°	120.5°
N1	C6	C7	115.5°	120.6°
C6	C7	C8	123.0°	120.9°
C6	C7	C11	118.7°	121.0°
C8	C7	C11	118.2°	118.2°
C7	C8	C9	118.4°	119.0°
C7	C8	H2	120.8°	120.5°
C7	C11	C10	119.0°	119.0°
C7	C11	H1	120.5°	120.5°
C8	C9	C13	120.6°	119.6°
C8	C9	N5	123.4°	120.9°
C9	C8	H2	120.8°	120.5°
C11	C10	N5	123.2°	120.9°
C11	C10	C12	119.5°	119.6°
C10	C11	H1	120.5°	120.5°
C13	C9	N5	115.9°	119.5°
C9	C13	H10	109.5°	109.5°
C9	C13	H11	109.4°	109.5°
C9	C13	H12	109.5°	109.4°
C9	N5	C10	117.8°	122.0°
N5	C10	C12	117.3°	119.5°
C10	C12	H13	109.5°	109.4°
C10	C12	H14	109.4°	109.4°
C10	C12	H15	109.4°	109.4°
H8	N3	H9	109.5°	120.0°
H10	C13	H11	109.5°	109.5°
H10	C13	H12	109.4°	109.5°
H11	C13	H12	109.5°	109.5°
H13	C12	H14	109.5°	109.6°
H13	C12	H15	109.5°	109.5°
H14	C12	H15	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C16	C17	C18	H3	180.0°	179.7°
C17	C16	C15	H7	180.0°	180.0°
C16	C17	C18	C19	0.1°	0.1°
C17	C16	C15	C14	0.1°	0.0°
C16	C17	C18	H4	179.9°	180.0°
C17	C16	C15	H6	179.9°	180.0°
C18	C17	C16	C15	0.1°	0.0°
C17	C18	C19	H4	180.0°	179.9°
C17	C18	C19	C14	0.1°	0.1°
C17	C18	C19	H5	179.9°	180.0°
C18	C17	C16	H7	179.9°	180.0°
C16	C15	C14	H6	180.0°	180.0°
C16	C15	C14	C19	0.1°	0.1°
C16	C15	C14	C5	180.0°	180.0°
C15	C16	C17	H3	179.9°	179.7°
C18	C19	C14	C15	0.1°	0.1°
C18	C19	C14	H5	180.0°	179.9°
C18	C19	C14	C5	179.9°	179.9°
C19	C18	C17	H3	179.9°	179.6°
C15	C14	C19	C5	179.8°	180.0°
C15	C14	C5	N4	47.3°	145.0°
C15	C14	C5	C6	132.3°	35.0°
C15	C14	C19	H5	179.9°	180.0°
C14	C15	C16	H7	179.9°	180.0°
C19	C14	C5	N4	132.5°	35.0°
C19	C14	C5	C6	47.9°	145.0°
C14	C19	C18	H4	179.9°	180.0°
C19	C14	C15	H6	179.9°	180.0°
C14	C5	N4	C6	179.6°	180.0°
C14	C5	N4	C3	179.8°	179.9°
C14	C5	C6	N1	179.9°	180.0°
C14	C5	C6	C7	1.7°	0.0°
C5	C14	C19	H5	0.1°	0.0°
C5	C14	C15	H6	0.1°	0.0°
N3	C3	N4	C5	179.8°	180.0°
N3	C3	N4	N2	179.8°	179.9°
N3	C3	N2	N1	179.8°	179.9°
C3	N3	H8	H9	120.0°	179.9°
C5	N4	C3	N2	0.1°	0.1°
N4	C5	C6	N1	0.3°	0.0°
N4	C5	C6	C7	178.8°	180.0°
C3	N4	C5	C6	0.2°	0.1°
N4	C3	N2	N1	0.1°	0.0°
N4	C3	N3	H8	0.0°	0.1°
N4	C3	N3	H9	120.0°	180.0°
C5	C6	N1	N2	0.4°	0.0°
C5	C6	N1	C7	178.6°	180.0°
C5	C6	C7	C8	48.2°	145.0°
C5	C6	C7	C11	130.8°	35.1°
C3	N2	N1	C6	0.2°	0.0°
N2	C3	N3	H8	179.9°	180.0°
N2	C3	N3	H9	60.1°	0.1°
N2	N1	C6	C7	178.9°	179.9°
N1	C6	C7	C8	133.4°	35.0°
N1	C6	C7	C11	47.7°	145.0°
C6	C7	C8	C11	179.0°	179.9°
C6	C7	C8	C9	179.5°	180.0°
C6	C7	C11	C10	179.6°	180.0°
C6	C7	C11	H1	0.4°	0.1°
C6	C7	C8	H2	0.5°	0.1°
C7	C8	C9	H2	180.0°	180.0°
C8	C7	C11	C10	0.6°	0.1°
C7	C8	C9	C13	179.8°	180.0°
C7	C8	C9	N5	0.3°	0.0°
C8	C7	C11	H1	179.4°	179.9°
C11	C7	C8	C9	0.5°	0.1°
C7	C11	C10	H1	180.0°	179.9°
C7	C11	C10	N5	0.3°	0.0°
C7	C11	C10	C12	179.7°	180.0°
C11	C7	C8	H2	179.5°	180.0°
C8	C9	C13	N5	179.9°	180.0°
C8	C9	N5	C10	0.0°	0.0°
C8	C9	C13	H10	179.9°	90.0°
C8	C9	C13	H11	60.0°	150.0°
C8	C9	C13	H12	59.9°	30.0°
C11	C10	N5	C9	0.0°	0.0°
C11	C10	N5	C12	180.0°	180.0°
C11	C10	C12	H13	180.0°	90.0°
C11	C10	C12	H14	60.0°	30.0°
C11	C10	C12	H15	60.0°	150.0°
C13	C9	N5	C10	179.9°	180.0°
C13	C9	C8	H2	0.2°	0.1°
C9	C13	H10	H11	120.0°	120.0°
C9	C13	H10	H12	120.0°	119.9°
C9	C13	H11	H12	120.0°	119.9°
C9	N5	C10	C12	180.0°	180.0°
N5	C9	C8	H2	179.8°	180.0°
N5	C9	C13	H10	0.0°	90.0°
N5	C9	C13	H11	120.0°	30.1°
N5	C9	C13	H12	120.0°	150.0°
N5	C10	C11	H1	179.7°	179.9°
N5	C10	C12	H13	0.0°	90.0°
N5	C10	C12	H14	120.0°	150.0°
N5	C10	C12	H15	120.0°	30.0°
C12	C10	C11	H1	0.3°	0.1°
C10	C12	H13	H14	120.0°	119.9°
C10	C12	H13	H15	120.0°	120.0°
C10	C12	H14	H15	120.0°	119.9°
H3	C17	C18	H4	0.1°	0.3°
H3	C17	C16	H7	0.1°	0.3°
H4	C18	C19	H5	0.1°	0.1°
H6	C15	C16	H7	0.1°	0.0°
H10	C13	H11	H12	120.0°	120.1°
H13	C12	H14	H15	120.0°	120.1°

Definition date:	2011-12-22
Last modified:	2012-03-16
Release status:	REL
Processing site:	PDBJ
Derived from:	3UZA