OCG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C25	N1	sing	1.40Å	1.38Å	Aromatic
N1	C5	sing	1.35Å	1.34Å	Aromatic
N1	N2	sing	1.40Å	1.53Å	Aromatic
N2	C3	doub	1.30Å	1.26Å	Aromatic
C4	C3	sing	1.41Å	1.40Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C5	C4	doub	1.39Å	1.40Å	Aromatic
C4	C7	sing	1.47Å	1.42Å
N6	C5	sing	1.38Å	1.34Å
N6	HN6	sing	0.97Å	1.00Å
N6	HN6A	sing	0.97Å	1.00Å
O8	C7	doub	1.22Å	1.23Å
C7	N9	sing	1.35Å	1.39Å
N9	C10	sing	1.40Å	1.40Å
N9	HN9	sing	0.97Å	1.00Å
C10	C11	doub	1.39Å	1.42Å	Aromatic
C10	C15	sing	1.39Å	1.42Å	Aromatic
C24	C11	sing	1.51Å	1.52Å
C11	C12	sing	1.38Å	1.42Å	Aromatic
C12	C13	doub	1.38Å	1.41Å	Aromatic
C12	H12	sing	1.08Å	1.08Å
C14	C13	sing	1.40Å	1.42Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C15	C14	doub	1.40Å	1.41Å	Aromatic
C14	C16	sing	1.48Å	1.33Å
C15	H15	sing	1.08Å	1.08Å
O17	C16	doub	1.22Å	1.23Å
C16	N18	sing	1.35Å	1.34Å
N18	C19	sing	1.39Å	1.34Å
N18	HN18	sing	0.97Å	1.00Å
C19	C23	sing	1.42Å	1.40Å	Aromatic
C19	N20	doub	1.31Å	1.32Å	Aromatic
N20	O21	sing	1.21Å	1.52Å	Aromatic
C22	O21	sing	1.34Å	1.25Å	Aromatic
C23	C22	doub	1.35Å	1.40Å	Aromatic
C22	H22	sing	1.08Å	1.08Å
C23	H23	sing	1.08Å	1.08Å
C24	H24	sing	1.09Å	1.10Å
C24	H24A	sing	1.09Å	1.10Å
C24	H24B	sing	1.09Å	1.10Å
C30	C25	doub	1.39Å	1.44Å	Aromatic
C26	C25	sing	1.39Å	1.44Å	Aromatic
C27	C26	doub	1.38Å	1.41Å	Aromatic
C26	H26	sing	1.08Å	1.08Å
C28	C27	sing	1.38Å	1.41Å	Aromatic
C27	H27	sing	1.08Å	1.08Å
C28	C29	doub	1.38Å	1.42Å	Aromatic
C28	H28	sing	1.08Å	1.08Å
C29	C30	sing	1.38Å	1.42Å	Aromatic
C29	H29	sing	1.08Å	1.08Å
C30	H30	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C25	N1	C5	125.8°	125.8°
C25	N1	N2	128.4°	125.8°
N1	C25	C30	122.4°	120.0°
N1	C25	C26	120.0°	120.1°
C5	N1	N2	105.8°	108.5°
N1	C5	C4	107.5°	107.1°
N1	C5	N6	129.2°	126.5°
N1	N2	C3	107.7°	109.2°
N2	C3	C4	109.9°	108.3°
N2	C3	H3	125.0°	125.9°
C4	C3	H3	125.0°	125.9°
C3	C4	C5	109.1°	107.0°
C3	C4	C7	125.3°	126.6°
C5	C4	C7	125.6°	126.5°
C4	C5	N6	123.4°	126.5°
C4	C7	O8	124.7°	120.0°
C4	C7	N9	121.3°	119.9°
C5	N6	HN6	109.5°	120.1°
C5	N6	HN6A	109.5°	120.0°
HN6	N6	HN6A	109.5°	119.9°
O8	C7	N9	114.0°	120.0°
C7	N9	C10	126.1°	120.0°
C7	N9	HN9	116.9°	120.0°
C10	N9	HN9	116.9°	120.0°
N9	C10	C11	122.4°	120.0°
N9	C10	C15	118.5°	120.0°
C11	C10	C15	119.1°	120.0°
C10	C11	C24	120.3°	119.9°
C10	C11	C12	120.9°	120.2°
C10	C15	C14	121.0°	119.8°
C10	C15	H15	119.5°	120.1°
C24	C11	C12	118.7°	119.9°
C11	C24	H24	109.5°	109.4°
C11	C24	H24A	109.4°	109.4°
C11	C24	H24B	109.5°	109.5°
C11	C12	C13	118.6°	120.2°
C11	C12	H12	120.7°	119.9°
C13	C12	H12	120.7°	119.9°
C12	C13	C14	121.9°	120.0°
C12	C13	H13	119.1°	120.0°
C14	C13	H13	119.0°	120.0°
C13	C14	C15	118.6°	119.8°
C13	C14	C16	117.0°	120.1°
C15	C14	C16	124.5°	120.1°
C14	C15	H15	119.5°	120.1°
C14	C16	O17	117.8°	120.0°
C14	C16	N18	120.9°	120.0°
O17	C16	N18	121.4°	120.0°
C16	N18	C19	125.3°	120.0°
C16	N18	HN18	117.4°	119.9°
C19	N18	HN18	117.3°	120.1°
N18	C19	C23	125.8°	126.9°
N18	C19	N20	129.6°	126.9°
C23	C19	N20	104.6°	106.2°
C19	C23	C22	109.6°	104.0°
C19	C23	H23	125.2°	128.0°
C19	N20	O21	109.8°	111.4°
N20	O21	C22	104.8°	111.8°
O21	C22	C23	111.2°	106.6°
O21	C22	H22	124.4°	126.7°
C23	C22	H22	124.5°	126.7°
C22	C23	H23	125.2°	128.0°
H24	C24	H24A	109.5°	109.5°
H24	C24	H24B	109.4°	109.5°
H24A	C24	H24B	109.5°	109.5°
C30	C25	C26	117.6°	119.9°
C25	C30	C29	120.0°	119.9°
C25	C30	H30	120.0°	120.0°
C25	C26	C27	121.3°	119.9°
C25	C26	H26	119.4°	120.0°
C27	C26	H26	119.3°	120.0°
C26	C27	C28	120.5°	120.1°
C26	C27	H27	119.7°	119.9°
C28	C27	H27	119.8°	120.0°
C27	C28	C29	119.0°	120.2°
C27	C28	H28	120.5°	120.0°
C29	C28	H28	120.5°	119.9°
C28	C29	C30	121.6°	120.0°
C28	C29	H29	119.2°	120.0°
C30	C29	H29	119.2°	120.0°
C29	C30	H30	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C25	N1	C5	N2	179.9°	179.7°
C25	N1	N2	C3	180.0°	179.7°
C25	N1	C5	C4	180.0°	179.7°
C25	N1	C5	N6	0.1°	0.3°
N1	C25	C30	C26	179.9°	179.7°
N1	C25	C26	C27	180.0°	180.0°
N1	C25	C26	H26	0.0°	0.0°
N1	C25	C30	C29	180.0°	179.7°
N1	C25	C30	H30	0.0°	0.3°
C5	N1	N2	C3	0.1°	0.1°
N1	C5	C4	C3	0.0°	0.0°
N1	C5	C4	N6	179.9°	180.0°
N1	C5	C4	C7	179.9°	179.9°
N1	C5	N6	HN6	180.0°	0.1°
N1	C5	N6	HN6A	60.0°	180.0°
C5	N1	C25	C30	113.7°	35.3°
C5	N1	C25	C26	66.2°	144.9°
N1	N2	C3	C4	0.1°	0.1°
N1	N2	C3	H3	179.9°	180.0°
N2	N1	C5	C4	0.0°	0.1°
N2	N1	C5	N6	179.9°	180.0°
N2	N1	C25	C30	66.2°	145.1°
N2	N1	C25	C26	113.9°	34.7°
N2	C3	C4	H3	180.0°	180.0°
N2	C3	C4	C5	0.0°	0.0°
N2	C3	C4	C7	179.9°	180.0°
C3	C4	C5	C7	179.9°	180.0°
C3	C4	C5	N6	179.9°	180.0°
C3	C4	C7	O8	179.4°	179.9°
C3	C4	C7	N9	0.7°	0.1°
H3	C3	C4	C5	180.0°	180.0°
H3	C3	C4	C7	0.1°	0.1°
C4	C5	N6	HN6	0.1°	180.0°
C4	C5	N6	HN6A	120.1°	0.0°
C5	C4	C7	O8	0.7°	0.0°
C5	C4	C7	N9	179.2°	179.9°
C7	C4	C5	N6	0.0°	0.0°
C4	C7	O8	N9	179.9°	180.0°
C4	C7	N9	C10	170.3°	174.5°
C4	C7	N9	HN9	9.8°	5.6°
C5	N6	HN6	HN6A	120.0°	180.0°
O8	C7	N9	C10	9.7°	5.5°
O8	C7	N9	HN9	170.3°	174.5°
C7	N9	C10	HN9	180.0°	179.9°
C7	N9	C10	C11	114.4°	155.4°
C7	N9	C10	C15	65.5°	24.9°
N9	C10	C11	C15	179.9°	179.7°
N9	C10	C11	C24	0.2°	0.1°
N9	C10	C11	C12	180.0°	180.0°
N9	C10	C15	C14	180.0°	179.7°
N9	C10	C15	H15	0.1°	0.0°
HN9	N9	C10	C11	65.6°	24.5°
HN9	N9	C10	C15	114.6°	155.2°
C10	C11	C24	C12	179.9°	179.9°
C10	C11	C12	C13	0.0°	0.0°
C10	C11	C12	H12	180.0°	179.9°
C11	C10	C15	C14	0.1°	0.6°
C11	C10	C15	H15	179.9°	179.7°
C10	C11	C24	H24	90.1°	90.1°
C10	C11	C24	H24A	149.9°	150.0°
C10	C11	C24	H24B	29.9°	30.0°
C15	C10	C11	C24	180.0°	179.8°
C15	C10	C11	C12	0.1°	0.3°
C10	C15	C14	C13	0.0°	0.5°
C10	C15	C14	H15	180.0°	179.7°
C10	C15	C14	C16	179.9°	179.7°
C24	C11	C12	C13	179.9°	179.9°
C24	C11	C12	H12	0.1°	0.1°
C11	C24	H24	H24A	120.0°	119.9°
C11	C24	H24	H24B	120.0°	120.0°
C11	C24	H24A	H24B	120.0°	120.0°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	C14	0.1°	0.0°
C11	C12	C13	H13	179.9°	179.9°
C12	C11	C24	H24	90.1°	90.1°
C12	C11	C24	H24A	29.9°	29.9°
C12	C11	C24	H24B	149.9°	149.9°
C12	C13	C14	H13	180.0°	179.9°
C12	C13	C14	C15	0.1°	0.2°
C12	C13	C14	C16	180.0°	180.0°
H12	C12	C13	C14	179.9°	180.0°
H12	C12	C13	H13	0.1°	0.1°
C13	C14	C15	C16	179.9°	179.8°
C13	C14	C15	H15	180.0°	179.7°
C13	C14	C16	O17	168.8°	180.0°
C13	C14	C16	N18	11.2°	0.0°
H13	C13	C14	C15	179.9°	179.7°
H13	C13	C14	C16	0.0°	0.0°
C15	C14	C16	O17	11.1°	0.2°
C15	C14	C16	N18	169.0°	179.7°
C16	C14	C15	H15	0.1°	0.0°
C14	C16	O17	N18	179.9°	180.0°
C14	C16	N18	C19	165.0°	180.0°
C14	C16	N18	HN18	15.0°	0.0°
O17	C16	N18	C19	14.9°	0.0°
O17	C16	N18	HN18	165.1°	180.0°
C16	N18	C19	HN18	180.0°	179.9°
C16	N18	C19	C23	149.5°	0.0°
C16	N18	C19	N20	30.5°	179.7°
N18	C19	C23	N20	179.9°	179.7°
N18	C19	N20	O21	180.0°	180.0°
N18	C19	C23	C22	180.0°	179.9°
N18	C19	C23	H23	0.0°	0.0°
HN18	N18	C19	C23	30.5°	179.9°
HN18	N18	C19	N20	149.5°	0.4°
C23	C19	N20	O21	0.1°	0.3°
C19	C23	C22	O21	0.0°	0.3°
C19	C23	C22	H23	180.0°	179.9°
C19	C23	C22	H22	180.0°	179.9°
C19	N20	O21	C22	0.0°	0.0°
N20	C19	C23	C22	0.1°	0.4°
N20	C19	C23	H23	180.0°	179.7°
N20	O21	C22	C23	0.0°	0.2°
N20	O21	C22	H22	180.0°	180.0°
O21	C22	C23	H22	180.0°	179.8°
O21	C22	C23	H23	180.0°	179.8°
H22	C22	C23	H23	0.0°	0.1°
H24	C24	H24A	H24B	120.0°	120.1°
C30	C25	C26	C27	0.1°	0.3°
C30	C25	C26	H26	179.9°	179.7°
C25	C30	C29	C28	0.1°	0.6°
C25	C30	C29	H30	180.0°	179.4°
C25	C30	C29	H29	179.9°	179.6°
C25	C26	C27	H26	180.0°	180.0°
C25	C26	C27	C28	0.1°	0.0°
C25	C26	C27	H27	179.9°	180.0°
C26	C25	C30	C29	0.1°	0.6°
C26	C25	C30	H30	180.0°	180.0°
C26	C27	C28	H27	180.0°	180.0°
C26	C27	C28	C29	0.1°	0.0°
C26	C27	C28	H28	179.9°	180.0°
H26	C26	C27	C28	179.9°	180.0°
H26	C26	C27	H27	0.1°	0.0°
C27	C28	C29	H28	180.0°	180.0°
C27	C28	C29	C30	0.0°	0.3°
C27	C28	C29	H29	179.9°	179.9°
H27	C27	C28	C29	179.9°	180.0°
H27	C27	C28	H28	0.1°	0.0°
C28	C29	C30	H29	180.0°	179.8°
C28	C29	C30	H30	180.0°	180.0°
H28	C28	C29	C30	179.9°	179.7°
H28	C28	C29	H29	0.1°	0.1°
H29	C29	C30	H30	0.0°	0.2°

Definition date:	2010-08-12
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3OCG