0RA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	N1	sing	1.37Å	1.36Å	Aromatic
C11	C10	doub	1.34Å	1.38Å	Aromatic
N1	C12	sing	1.37Å	1.37Å	Aromatic
C10	C9	sing	1.46Å	1.42Å	Aromatic
C12	C9	doub	1.41Å	1.38Å	Aromatic
C12	N2	sing	1.33Å	1.33Å	Aromatic
C9	C8	sing	1.39Å	1.39Å	Aromatic
N2	C13	doub	1.31Å	1.33Å	Aromatic
C8	C7	doub	1.39Å	1.38Å	Aromatic
C13	C7	sing	1.40Å	1.38Å	Aromatic
C7	C5	sing	1.48Å	1.45Å
C6	C5	doub	1.39Å	1.38Å	Aromatic
C6	C1	sing	1.38Å	1.38Å	Aromatic
C5	C4	sing	1.39Å	1.38Å	Aromatic
C1	C2	doub	1.38Å	1.38Å	Aromatic
C4	C3	doub	1.38Å	1.38Å	Aromatic
C2	C3	sing	1.38Å	1.38Å	Aromatic
C3	C14	sing	1.51Å	1.46Å
C14	C15	sing	1.53Å	1.34Å
C15	C16	sing	1.51Å	1.51Å
C16	O1	doub	1.21Å	1.26Å
C16	O2	sing	1.34Å	1.26Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C4	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.08Å	1.08Å
C10	H6	sing	1.08Å	1.08Å
C11	H7	sing	1.08Å	1.08Å
N1	H8	sing	0.97Å	1.00Å
C13	H9	sing	1.08Å	1.08Å
C14	H10	sing	1.09Å	1.10Å
C14	H11	sing	1.09Å	1.10Å
C15	H12	sing	1.09Å	1.10Å
C15	H13	sing	1.09Å	1.10Å
O2	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C11	C10	107.5°	110.0°
C11	N1	C12	109.7°	110.1°
N1	C11	H7	126.2°	125.0°
C11	N1	H8	125.1°	125.0°
C11	C10	C9	108.0°	106.9°
C11	C10	H6	126.0°	126.6°
C10	C11	H7	126.2°	125.0°
N1	C12	C9	108.4°	106.9°
N1	C12	N2	124.6°	133.0°
C12	N1	H8	125.2°	124.9°
C10	C9	C12	106.4°	106.2°
C10	C9	C8	134.9°	134.2°
C9	C10	H6	126.0°	126.5°
C9	C12	N2	126.9°	120.1°
C12	C9	C8	118.7°	119.6°
C12	N2	C13	112.0°	121.8°
C9	C8	C7	116.5°	118.0°
C9	C8	H5	121.8°	121.0°
N2	C13	C7	127.0°	121.4°
N2	C13	H9	116.5°	119.3°
C8	C7	C13	118.8°	119.1°
C8	C7	C5	121.1°	120.4°
C7	C8	H5	121.7°	121.0°
C13	C7	C5	120.0°	120.4°
C7	C13	H9	116.5°	119.3°
C7	C5	C6	119.7°	120.1°
C7	C5	C4	121.8°	120.1°
C5	C6	C1	121.2°	119.9°
C6	C5	C4	118.5°	119.8°
C5	C6	H4	119.4°	120.1°
C6	C1	C2	119.7°	120.1°
C6	C1	H1	120.1°	120.0°
C1	C6	H4	119.4°	120.0°
C5	C4	C3	120.9°	119.9°
C5	C4	H3	119.6°	120.1°
C1	C2	C3	120.0°	120.2°
C2	C1	H1	120.2°	119.9°
C1	C2	H2	120.0°	119.9°
C4	C3	C2	119.8°	120.2°
C4	C3	C14	120.5°	119.9°
C3	C4	H3	119.6°	120.1°
C2	C3	C14	119.7°	119.9°
C3	C2	H2	120.0°	119.9°
C3	C14	C15	117.6°	109.5°
C3	C14	H10	107.4°	109.4°
C3	C14	H11	107.4°	109.5°
C14	C15	C16	113.6°	109.5°
C15	C14	H10	107.4°	109.5°
C15	C14	H11	107.4°	109.5°
C14	C15	H12	108.4°	109.5°
C14	C15	H13	108.4°	109.5°
C15	C16	O1	116.1°	120.0°
C15	C16	O2	114.5°	120.0°
C16	C15	H12	108.5°	109.4°
C16	C15	H13	108.4°	109.5°
O1	C16	O2	129.4°	120.0°
C16	O2	H14	109.5°	116.9°
H10	C14	H11	109.5°	109.5°
H12	C15	H13	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C11	C10	H7	180.0°	179.9°
C11	N1	C12	H8	180.0°	179.9°
N1	C11	C10	C9	0.0°	0.0°
C11	N1	C12	C9	0.1°	0.0°
C11	N1	C12	N2	179.6°	180.0°
N1	C11	C10	H6	179.9°	180.0°
C10	C11	N1	C12	0.1°	0.0°
C11	C10	C9	H6	180.0°	180.0°
C11	C10	C9	C12	0.1°	0.0°
C11	C10	C9	C8	179.8°	180.0°
C10	C11	N1	H8	179.9°	180.0°
N1	C12	C9	C10	0.1°	0.0°
N1	C12	C9	N2	179.8°	180.0°
N1	C12	C9	C8	179.9°	180.0°
N1	C12	N2	C13	179.8°	179.8°
C12	N1	C11	H7	179.9°	180.0°
C10	C9	C12	C8	179.8°	180.0°
C10	C9	C12	N2	179.6°	180.0°
C10	C9	C8	C7	180.0°	180.0°
C10	C9	C8	H5	0.0°	0.1°
C9	C10	C11	H7	180.0°	180.0°
C9	C12	N2	C13	0.4°	0.3°
C12	C9	C8	C7	0.2°	0.1°
C12	C9	C8	H5	179.8°	180.0°
C12	C9	C10	H6	180.0°	180.0°
C9	C12	N1	H8	179.8°	179.9°
N2	C12	C9	C8	0.2°	0.0°
C12	N2	C13	C7	0.4°	0.6°
N2	C12	N1	H8	0.4°	0.1°
C12	N2	C13	H9	179.6°	180.0°
C9	C8	C7	H5	180.0°	179.9°
C9	C8	C7	C13	0.3°	0.3°
C9	C8	C7	C5	178.6°	180.0°
C8	C9	C10	H6	0.2°	0.0°
N2	C13	C7	C8	0.0°	0.6°
N2	C13	C7	H9	180.0°	179.5°
N2	C13	C7	C5	178.9°	179.8°
C8	C7	C13	C5	178.9°	179.7°
C8	C7	C5	C6	31.2°	0.3°
C8	C7	C5	C4	149.7°	180.0°
C8	C7	C13	H9	180.0°	180.0°
C13	C7	C5	C6	147.6°	180.0°
C13	C7	C5	C4	31.4°	0.3°
C13	C7	C8	H5	179.7°	179.8°
C7	C5	C6	C4	179.1°	179.7°
C7	C5	C6	C1	179.3°	179.7°
C7	C5	C4	C3	179.3°	180.0°
C7	C5	C4	H3	0.7°	0.0°
C7	C5	C6	H4	0.7°	0.3°
C5	C7	C8	H5	1.4°	0.1°
C5	C7	C13	H9	1.1°	0.3°
C5	C6	C1	H4	180.0°	179.4°
C5	C6	C1	C2	0.1°	0.6°
C6	C5	C4	C3	0.3°	0.3°
C5	C6	C1	H1	179.9°	179.7°
C6	C5	C4	H3	179.8°	179.7°
C1	C6	C5	C4	0.2°	0.6°
C6	C1	C2	H1	180.0°	179.7°
C6	C1	C2	C3	0.0°	0.3°
C6	C1	C2	H2	180.0°	179.7°
C5	C4	C3	H3	180.0°	180.0°
C5	C4	C3	C2	0.2°	0.0°
C5	C4	C3	C14	180.0°	180.0°
C4	C5	C6	H4	179.9°	180.0°
C1	C2	C3	C4	0.1°	0.0°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C14	179.9°	180.0°
C2	C1	C6	H4	180.0°	180.0°
C4	C3	C2	C14	179.8°	180.0°
C4	C3	C14	C15	131.8°	90.0°
C4	C3	C2	H2	179.9°	179.9°
C4	C3	C14	H10	107.0°	30.0°
C4	C3	C14	H11	10.6°	150.0°
C2	C3	C14	C15	48.0°	90.0°
C3	C2	C1	H1	180.0°	180.0°
C2	C3	C4	H3	179.8°	180.0°
C2	C3	C14	H10	73.2°	150.0°
C2	C3	C14	H11	169.1°	30.0°
C3	C14	C15	H10	121.2°	120.0°
C3	C14	C15	H11	121.2°	120.0°
C3	C14	C15	C16	179.9°	180.0°
C14	C3	C2	H2	0.2°	0.0°
C14	C3	C4	H3	0.1°	0.0°
C3	C14	H10	H11	116.3°	120.0°
C3	C14	C15	H12	59.5°	60.0°
C3	C14	C15	H13	59.3°	60.0°
C14	C15	C16	H12	120.6°	120.0°
C14	C15	C16	H13	120.6°	120.0°
C14	C15	C16	O1	49.8°	0.0°
C14	C15	C16	O2	130.9°	180.0°
C15	C14	H10	H11	116.3°	120.1°
C14	C15	H12	H13	118.1°	120.1°
C15	C16	O1	O2	179.1°	179.9°
C16	C15	C14	H10	58.7°	60.0°
C16	C15	C14	H11	58.9°	60.0°
C16	C15	H12	H13	118.1°	119.9°
C15	C16	O2	H14	179.1°	180.0°
O1	C16	C15	H12	70.8°	120.1°
O1	C16	C15	H13	170.4°	120.0°
O1	C16	O2	H14	0.0°	0.1°
O2	C16	C15	H12	108.5°	60.0°
O2	C16	C15	H13	10.3°	59.9°
H1	C1	C2	H2	0.0°	0.1°
H1	C1	C6	H4	0.1°	0.3°
H6	C10	C11	H7	0.0°	0.0°
H7	C11	N1	H8	0.1°	0.1°
H10	C14	C15	H12	179.4°	180.0°
H10	C14	C15	H13	61.9°	60.0°
H11	C14	C15	H12	61.7°	60.0°
H11	C14	C15	H13	179.5°	180.0°

Definition date:	2012-04-27
Last modified:	2012-07-27
Release status:	REL
Processing site:	RCSB
Derived from:	4EM7