GG1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C25	sing	1.46Å	1.47Å
N1	C3	sing	1.43Å	1.36Å	Aromatic
N1	C1	sing	1.40Å	1.35Å	Aromatic
C4	N6	sing	1.46Å	1.47Å
C4	C21	sing	1.50Å	1.53Å
C4	H41	sing	1.10Å	1.10Å
C4	H42	sing	1.10Å	1.10Å
C5	C22	sing	1.47Å	1.39Å	Aromatic
C5	N6	sing	1.40Å	1.34Å	Aromatic
C5	O2	doub	1.23Å	1.26Å
C6	C2	doub	1.40Å	1.40Å	Aromatic
C6	C8	sing	1.39Å	1.40Å	Aromatic
C6	H6	sing	1.09Å	1.08Å
C7	C26	trip	1.20Å	1.18Å
C7	C8	sing	1.43Å	1.29Å
C8	C23	doub	1.39Å	1.39Å	Aromatic
C10	C13	doub	1.39Å	1.40Å	Aromatic
C10	C19	sing	1.39Å	1.40Å	Aromatic
C10	C24	sing	1.45Å	1.51Å
C13	C15	sing	1.40Å	1.39Å	Aromatic
C13	H13	sing	1.09Å	1.08Å
C15	C21	doub	1.39Å	1.40Å	Aromatic
C15	H15	sing	1.09Å	1.08Å
C17	C21	sing	1.39Å	1.40Å	Aromatic
C17	C19	doub	1.40Å	1.39Å	Aromatic
C17	H17	sing	1.09Å	1.08Å
C20	C16	sing	1.39Å	1.40Å	Aromatic
C20	C11	sing	1.51Å	1.52Å
C20	C14	doub	1.39Å	1.40Å	Aromatic
C22	C3	doub	1.40Å	1.41Å	Aromatic
C22	C23	sing	1.40Å	1.40Å	Aromatic
C24	O6	doub	1.23Å	1.22Å
C24	O5	sing	1.36Å	1.32Å
C26	C11	sing	1.47Å	1.47Å
O5	HO5	sing	0.98Å	0.95Å
C19	H19	sing	1.09Å	1.08Å
N6	C1	sing	1.41Å	1.36Å	Aromatic
C3	C2	sing	1.41Å	1.40Å	Aromatic
C2	H2	sing	1.09Å	1.08Å
C25	H251	sing	1.09Å	1.10Å
C25	H252	sing	1.09Å	1.10Å
C25	H253	sing	1.09Å	1.10Å
C1	O1	doub	1.24Å	1.25Å
C23	H23	sing	1.09Å	1.08Å
C11	H111	sing	1.10Å	1.10Å
C11	H112	sing	1.10Å	1.10Å
C16	C18	doub	1.39Å	1.39Å	Aromatic
C16	H16	sing	1.09Å	1.08Å
C18	C9	sing	1.39Å	1.40Å	Aromatic
C18	H18	sing	1.09Å	1.08Å
C14	C12	sing	1.39Å	1.40Å	Aromatic
C14	H14	sing	1.09Å	1.08Å
C12	C9	doub	1.39Å	1.40Å	Aromatic
C12	H12	sing	1.09Å	1.08Å
C9	H9	sing	1.09Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C25	N1	C3	122.9°	118.9°
C25	N1	C1	117.6°	118.8°
N1	C25	H251	109.5°	110.1°
N1	C25	H252	109.5°	110.2°
N1	C25	H253	109.5°	110.3°
C3	N1	C1	119.5°	122.3°
N1	C3	C22	119.4°	119.9°
N1	C3	C2	121.7°	122.0°
N1	C1	N6	121.7°	115.9°
N1	C1	O1	118.9°	122.5°
N6	C4	C21	112.4°	112.0°
N6	C4	H41	108.5°	108.0°
N6	C4	H42	107.9°	107.8°
C4	N6	C5	119.3°	117.8°
C4	N6	C1	119.9°	116.3°
C21	C4	H41	108.5°	110.6°
C21	C4	H42	107.9°	111.0°
C4	C21	C15	120.9°	119.6°
C4	C21	C17	119.5°	119.6°
H41	C4	H42	111.7°	107.3°
C22	C5	N6	119.1°	115.7°
C22	C5	O2	121.2°	119.2°
C5	C22	C3	119.5°	120.2°
C5	C22	C23	119.9°	119.0°
N6	C5	O2	119.7°	125.0°
C5	N6	C1	120.8°	125.9°
C2	C6	C8	120.2°	120.1°
C2	C6	H6	119.9°	119.0°
C6	C2	C3	120.3°	121.1°
C6	C2	H2	119.9°	117.1°
C8	C6	H6	119.9°	120.9°
C6	C8	C7	119.6°	120.1°
C6	C8	C23	119.8°	119.7°
C26	C7	C8	177.1°	179.8°
C7	C26	C11	178.2°	179.9°
C7	C8	C23	120.6°	120.2°
C8	C23	C22	120.1°	120.2°
C8	C23	H23	120.0°	119.3°
C13	C10	C19	119.6°	120.0°
C13	C10	C24	121.1°	120.0°
C10	C13	C15	120.2°	120.0°
C10	C13	H13	119.9°	120.6°
C19	C10	C24	119.3°	120.0°
C10	C19	C17	120.1°	120.0°
C10	C19	H19	119.9°	120.6°
C10	C24	O6	121.8°	125.4°
C10	C24	O5	120.3°	112.5°
C15	C13	H13	119.9°	119.3°
C13	C15	C21	120.0°	119.6°
C13	C15	H15	120.0°	119.5°
C21	C15	H15	120.0°	120.9°
C15	C21	C17	119.6°	120.7°
C21	C17	C19	120.4°	119.6°
C21	C17	H17	119.8°	120.9°
C19	C17	H17	119.8°	119.5°
C17	C19	H19	120.0°	119.4°
C16	C20	C11	119.6°	119.5°
C16	C20	C14	119.1°	121.0°
C20	C16	C18	120.9°	119.5°
C20	C16	H16	119.6°	121.1°
C11	C20	C14	121.3°	119.5°
C20	C11	C26	112.1°	111.9°
C20	C11	H111	108.6°	109.6°
C20	C11	H112	108.0°	109.5°
C20	C14	C12	120.5°	119.5°
C20	C14	H14	119.8°	121.0°
C3	C22	C23	120.7°	120.8°
C22	C3	C2	118.9°	118.1°
C22	C23	H23	120.0°	120.5°
O6	C24	O5	117.8°	122.1°
C24	O5	HO5	109.5°	113.1°
C26	C11	H111	108.6°	110.0°
C26	C11	H112	108.0°	109.9°
N6	C1	O1	119.4°	121.6°
C3	C2	H2	119.8°	121.7°
H251	C25	H252	109.5°	108.8°
H251	C25	H253	109.5°	108.7°
H252	C25	H253	109.5°	108.7°
H111	C11	H112	111.5°	105.7°
C18	C16	H16	119.5°	119.4°
C16	C18	C9	119.6°	120.0°
C16	C18	H18	120.2°	120.0°
C9	C18	H18	120.2°	120.0°
C18	C9	C12	120.0°	120.0°
C18	C9	H9	120.0°	120.0°
C12	C14	H14	119.8°	119.5°
C14	C12	C9	119.8°	120.0°
C14	C12	H12	120.1°	120.0°
C9	C12	H12	120.1°	120.0°
C12	C9	H9	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C25	N1	C3	C1	179.9°	180.0°
C25	N1	C3	C22	180.0°	180.0°
C25	N1	C1	N6	179.8°	180.0°
C25	N1	C3	C2	0.2°	0.1°
N1	C25	H251	H252	120.0°	120.8°
N1	C25	H251	H253	120.0°	120.9°
N1	C25	H252	H253	120.0°	120.9°
C25	N1	C1	O1	0.1°	0.0°
N1	C3	C22	C5	0.1°	0.1°
N1	C3	C2	C6	179.9°	180.0°
N1	C3	C22	C2	179.8°	180.0°
N1	C3	C22	C23	179.3°	180.0°
C3	N1	C1	N6	0.1°	0.0°
N1	C3	C2	H2	0.1°	0.0°
C3	N1	C25	H251	168.5°	51.3°
C3	N1	C25	H252	48.5°	68.7°
C3	N1	C25	H253	71.5°	171.2°
C3	N1	C1	O1	179.8°	179.9°
N1	C1	N6	C4	179.9°	180.0°
N1	C1	N6	C5	0.2°	0.1°
C1	N1	C3	C22	0.1°	0.0°
N1	C1	N6	O1	179.7°	180.0°
C1	N1	C3	C2	179.7°	180.0°
C1	N1	C25	H251	11.6°	128.7°
C1	N1	C25	H252	131.6°	111.3°
C1	N1	C25	H253	108.4°	8.7°
N6	C4	C21	H41	120.0°	120.4°
N6	C4	C21	H42	118.8°	120.6°
N6	C4	H41	H42	118.8°	116.0°
C4	N6	C5	C22	180.0°	180.0°
C4	N6	C5	C1	179.9°	179.9°
C4	N6	C5	O2	0.1°	0.0°
N6	C4	C21	C15	88.6°	90.0°
N6	C4	C21	C17	92.4°	90.0°
C4	N6	C1	O1	0.3°	0.0°
C21	C4	H41	H42	118.8°	121.2°
C21	C4	N6	C5	88.4°	90.0°
C4	C21	C15	C13	179.3°	180.0°
C4	C21	C15	C17	179.0°	180.0°
C4	C21	C15	H15	0.7°	0.1°
C4	C21	C17	C19	179.4°	180.0°
C4	C21	C17	H17	0.6°	0.0°
C21	C4	N6	C1	91.7°	90.1°
H41	C4	N6	C5	31.6°	31.9°
H41	C4	C21	C15	151.4°	30.4°
H41	C4	C21	C17	27.6°	149.6°
H41	C4	N6	C1	148.3°	148.0°
H42	C4	N6	C5	152.8°	147.6°
H42	C4	C21	C15	30.2°	149.4°
H42	C4	C21	C17	148.8°	30.6°
H42	C4	N6	C1	27.1°	32.3°
C22	C5	N6	O2	179.9°	180.0°
C5	C22	C23	C8	179.7°	180.0°
C5	C22	C3	C23	179.2°	179.9°
C22	C5	N6	C1	0.1°	0.1°
C5	C22	C3	C2	179.6°	180.0°
C5	C22	C23	H23	0.3°	0.1°
N6	C5	C22	C3	0.0°	0.1°
N6	C5	C22	C23	179.2°	180.0°
C5	N6	C1	O1	179.9°	179.9°
O2	C5	C22	C3	179.9°	179.9°
O2	C5	C22	C23	0.8°	0.0°
O2	C5	N6	C1	179.8°	179.9°
C2	C6	C8	H6	180.0°	180.0°
C2	C6	C8	C7	179.3°	180.0°
C2	C6	C8	C23	0.1°	0.0°
C6	C2	C3	C22	0.4°	0.0°
C6	C2	C3	H2	180.0°	180.0°
C6	C8	C7	C26	0.6°	67.9°
C6	C8	C7	C23	179.2°	179.9°
C6	C8	C23	C22	0.9°	0.0°
C8	C6	C2	C3	0.5°	0.0°
C8	C6	C2	H2	179.5°	180.0°
C6	C8	C23	H23	179.1°	179.9°
H6	C6	C8	C7	0.7°	0.0°
H6	C6	C8	C23	179.9°	180.0°
H6	C6	C2	C3	179.4°	180.0°
H6	C6	C2	H2	0.6°	0.0°
C26	C7	C8	C23	178.6°	112.1°
C7	C26	C11	C20	120.3°	7.7°
C7	C26	C11	H111	0.3°	129.8°
C7	C26	C11	H112	120.9°	114.3°
C7	C8	C23	C22	179.9°	180.0°
C8	C7	C26	C11	5.4°	7.2°
C7	C8	C23	H23	0.1°	0.1°
C8	C23	C22	C3	1.1°	0.1°
C8	C23	C22	H23	180.0°	179.9°
C13	C10	C19	C24	179.1°	179.9°
C10	C13	C15	H13	180.0°	179.9°
C10	C13	C15	C21	0.2°	0.0°
C10	C13	C15	H15	179.8°	179.9°
C13	C10	C19	C17	0.2°	0.0°
C13	C10	C24	O6	15.0°	0.0°
C13	C10	C24	O5	161.7°	180.0°
C13	C10	C19	H19	179.8°	180.0°
C19	C10	C13	C15	0.1°	0.0°
C19	C10	C13	H13	179.9°	179.9°
C10	C19	C17	C21	0.3°	0.1°
C10	C19	C17	H19	180.0°	179.9°
C10	C19	C17	H17	179.7°	180.0°
C19	C10	C24	O6	165.9°	180.0°
C19	C10	C24	O5	17.4°	0.1°
C24	C10	C13	C15	178.9°	179.9°
C24	C10	C13	H13	1.1°	0.2°
C24	C10	C19	C17	178.9°	179.9°
C10	C24	O6	O5	176.8°	179.9°
C10	C24	O5	HO5	176.8°	180.0°
C24	C10	C19	H19	1.1°	0.0°
C13	C15	C21	H15	180.0°	179.9°
C13	C15	C21	C17	0.3°	0.0°
H13	C13	C15	C21	179.8°	179.9°
H13	C13	C15	H15	0.2°	0.0°
C15	C21	C17	C19	0.3°	0.1°
C15	C21	C17	H17	179.7°	180.0°
H15	C15	C21	C17	179.7°	179.9°
C21	C17	C19	H17	180.0°	179.9°
C21	C17	C19	H19	179.7°	180.0°
H17	C17	C19	H19	0.3°	0.1°
C16	C20	C11	C14	179.0°	180.0°
C16	C20	C11	C26	168.6°	90.0°
C16	C20	C11	H111	48.6°	147.7°
C16	C20	C11	H112	72.5°	32.2°
C20	C16	C18	H16	180.0°	180.0°
C20	C16	C18	C9	0.0°	0.0°
C20	C16	C18	H18	180.0°	180.0°
C16	C20	C14	C12	0.3°	0.0°
C16	C20	C14	H14	179.8°	180.0°
C20	C11	C26	H111	120.0°	122.1°
C20	C11	C26	H112	118.9°	122.0°
C20	C11	H111	H112	118.9°	117.9°
C11	C20	C16	C18	179.2°	180.0°
C11	C20	C16	H16	0.8°	0.0°
C11	C20	C14	C12	179.3°	180.0°
C11	C20	C14	H14	0.7°	0.1°
C14	C20	C11	C26	12.4°	90.0°
C14	C20	C11	H111	132.4°	32.3°
C14	C20	C11	H112	106.5°	147.7°
C14	C20	C16	C18	0.2°	0.0°
C14	C20	C16	H16	179.8°	180.0°
C20	C14	C12	H14	180.0°	179.9°
C20	C14	C12	C9	0.2°	0.0°
C20	C14	C12	H12	179.8°	180.0°
C22	C3	C2	H2	179.7°	179.9°
C3	C22	C23	H23	178.9°	180.0°
C23	C22	C3	C2	0.4°	0.1°
O6	C24	O5	HO5	0.0°	0.0°
C26	C11	H111	H112	118.9°	118.6°
H251	C25	H252	H253	120.0°	118.3°
C16	C18	C9	H18	180.0°	179.9°
C16	C18	C9	C12	0.0°	0.0°
C16	C18	C9	H9	180.0°	180.0°
H16	C16	C18	C9	180.0°	180.0°
H16	C16	C18	H18	0.0°	0.1°
C18	C9	C12	C14	0.1°	NaN°
C18	C9	C12	H9	180.0°	179.9°
C18	C9	C12	H12	179.9°	180.0°
H18	C18	C9	C12	180.0°	180.0°
H18	C18	C9	H9	0.0°	0.1°
C14	C12	C9	H12	180.0°	180.0°
C14	C12	C9	H9	179.9°	179.9°
H14	C14	C12	C9	179.8°	180.0°
H14	C14	C12	H12	0.2°	0.1°
H12	C12	C9	H9	0.1°	0.0°

Definition date:	2007-03-01
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB