CWP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C9	doub	1.38Å	1.40Å	Aromatic
C8	C7	sing	1.39Å	1.40Å	Aromatic
C9	C4	sing	1.40Å	1.39Å	Aromatic
C10	C7	sing	1.51Å	1.52Å
C17	C14	sing	1.51Å	1.50Å
C7	N6	doub	1.32Å	1.35Å	Aromatic
N15	C14	doub	1.31Å	1.26Å	Aromatic
N15	N11	sing	1.40Å	1.34Å	Aromatic
C14	C13	sing	1.40Å	1.47Å	Aromatic
C4	N5	sing	1.36Å	1.35Å	Aromatic
C4	C3	doub	1.41Å	1.39Å	Aromatic
N6	C3	sing	1.32Å	1.33Å	Aromatic
N11	C16	sing	1.46Å	1.45Å
N11	C12	sing	1.35Å	1.31Å	Aromatic
N5	C1	doub	1.31Å	1.31Å	Aromatic
C3	N2	sing	1.38Å	1.34Å	Aromatic
C13	C12	doub	1.35Å	1.34Å	Aromatic
C12	C18	sing	1.51Å	1.50Å
C1	N2	sing	1.37Å	1.27Å	Aromatic
C1	N19	sing	1.38Å	1.30Å
C18	N19	sing	1.46Å	1.46Å
C13	H1	sing	1.08Å	1.08Å
C16	H2	sing	1.09Å	1.10Å
C16	H3	sing	1.09Å	1.10Å
C16	H4	sing	1.09Å	1.10Å
C17	H5	sing	1.09Å	1.10Å
C17	H6	sing	1.09Å	1.10Å
C17	H7	sing	1.09Å	1.10Å
C18	H8	sing	1.09Å	1.10Å
C18	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
C10	H12	sing	1.09Å	1.10Å
C8	H13	sing	1.08Å	1.08Å
C9	H14	sing	1.08Å	1.08Å
N19	H15	sing	0.97Å	1.00Å
N2	H16	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C8	C7	121.3°	119.6°
C8	C9	C4	114.6°	118.1°
C9	C8	H13	119.4°	120.2°
C8	C9	H14	122.7°	120.9°
C8	C7	C10	122.1°	119.3°
C8	C7	N6	121.8°	121.3°
C7	C8	H13	119.3°	120.3°
C9	C4	N5	130.4°	133.7°
C9	C4	C3	121.9°	119.0°
C4	C9	H14	122.7°	120.9°
C10	C7	N6	116.1°	119.3°
C7	C10	H10	109.5°	109.4°
C7	C10	H11	109.5°	109.5°
C7	C10	H12	109.5°	109.5°
C17	C14	N15	125.2°	125.9°
C17	C14	C13	128.2°	125.9°
C14	C17	H5	109.5°	109.5°
C14	C17	H6	109.5°	109.5°
C14	C17	H7	109.5°	109.4°
C7	N6	C3	117.8°	121.6°
C14	N15	N11	110.6°	108.2°
N15	C14	C13	106.6°	108.2°
N15	N11	C16	124.2°	126.0°
N15	N11	C12	109.4°	107.9°
C14	C13	C12	104.5°	108.0°
C14	C13	H1	127.7°	126.0°
N5	C4	C3	107.7°	107.3°
C4	N5	C1	106.0°	109.5°
C4	C3	N6	122.5°	120.4°
C4	C3	N2	104.6°	106.0°
N6	C3	N2	132.9°	133.6°
C16	N11	C12	126.4°	126.0°
N11	C16	H2	109.5°	109.5°
N11	C16	H3	109.5°	109.5°
N11	C16	H4	109.5°	109.5°
N11	C12	C13	108.8°	107.7°
N11	C12	C18	125.2°	126.1°
N5	C1	N2	112.1°	109.9°
N5	C1	N19	124.9°	125.1°
C3	N2	C1	109.7°	107.4°
C3	N2	H16	125.2°	126.3°
C13	C12	C18	126.0°	126.2°
C12	C13	H1	127.8°	126.0°
C12	C18	N19	109.6°	109.5°
C12	C18	H8	109.4°	109.5°
C12	C18	H9	109.4°	109.4°
N2	C1	N19	123.0°	125.1°
C1	N2	H16	125.2°	126.3°
C1	N19	C18	121.1°	120.0°
C1	N19	H15	106.5°	120.0°
N19	C18	H8	109.4°	109.5°
N19	C18	H9	109.4°	109.5°
C18	N19	H15	106.5°	120.0°
H2	C16	H3	109.5°	109.4°
H2	C16	H4	109.4°	109.4°
H3	C16	H4	109.5°	109.4°
H5	C17	H6	109.4°	109.5°
H5	C17	H7	109.5°	109.5°
H6	C17	H7	109.5°	109.5°
H8	C18	H9	109.5°	109.4°
H10	C10	H11	109.5°	109.4°
H10	C10	H12	109.5°	109.5°
H11	C10	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C8	C7	H13	180.0°	179.4°
C8	C9	C4	H14	180.0°	180.0°
C9	C8	C7	C10	179.4°	179.9°
C9	C8	C7	N6	1.5°	0.8°
C8	C9	C4	N5	179.9°	180.0°
C8	C9	C4	C3	0.3°	0.2°
C7	C8	C9	C4	0.8°	0.6°
C8	C7	C10	N6	179.2°	179.3°
C8	C7	N6	C3	1.5°	0.7°
C8	C7	C10	H10	179.2°	89.3°
C8	C7	C10	H11	60.8°	30.7°
C8	C7	C10	H12	59.2°	150.7°
C7	C8	C9	H14	179.2°	179.5°
C9	C4	N5	C3	179.7°	179.8°
C9	C4	C3	N6	0.4°	0.1°
C9	C4	N5	C1	179.6°	180.0°
C9	C4	C3	N2	179.8°	179.9°
C4	C9	C8	H13	179.2°	180.0°
C10	C7	N6	C3	179.3°	180.0°
C7	C10	H10	H11	120.0°	120.0°
C7	C10	H10	H12	120.0°	120.0°
C7	C10	H11	H12	120.0°	120.1°
C10	C7	C8	H13	0.6°	0.5°
C17	C14	N15	C13	179.7°	180.0°
C17	C14	N15	N11	179.9°	179.8°
C17	C14	C13	C12	179.7°	180.0°
C17	C14	C13	H1	0.3°	0.0°
C14	C17	H5	H6	120.0°	120.0°
C14	C17	H5	H7	120.0°	120.0°
C14	C17	H6	H7	120.0°	120.0°
C7	N6	C3	C4	1.0°	0.4°
C7	N6	C3	N2	179.3°	180.0°
N6	C7	C10	H10	0.0°	90.1°
N6	C7	C10	H11	120.0°	150.0°
N6	C7	C10	H12	120.0°	30.0°
N6	C7	C8	H13	178.5°	179.8°
C14	N15	N11	C16	179.9°	179.7°
C14	N15	N11	C12	0.3°	0.4°
N15	C14	C13	C12	0.6°	0.0°
N15	C14	C13	H1	179.4°	179.9°
N15	C14	C17	H5	0.0°	89.9°
N15	C14	C17	H6	120.0°	30.1°
N15	C14	C17	H7	120.0°	150.1°
N11	N15	C14	C13	0.2°	0.2°
N15	N11	C16	C12	179.8°	179.8°
N15	N11	C12	C13	0.7°	0.4°
N15	N11	C12	C18	179.4°	179.9°
N15	N11	C16	H2	0.0°	90.2°
N15	N11	C16	H3	120.0°	29.8°
N15	N11	C16	H4	120.0°	149.8°
C14	C13	C12	N11	0.8°	0.3°
C14	C13	C12	H1	180.0°	179.9°
C14	C13	C12	C18	179.5°	180.0°
C13	C14	C17	H5	179.7°	90.1°
C13	C14	C17	H6	60.3°	149.9°
C13	C14	C17	H7	59.7°	30.0°
N5	C4	C3	N6	179.9°	180.0°
N5	C4	C3	N2	0.1°	0.3°
C4	N5	C1	N2	1.2°	0.0°
C4	N5	C1	N19	179.9°	179.7°
N5	C4	C9	H14	0.1°	0.0°
C4	C3	N6	N2	179.7°	179.7°
C3	C4	N5	C1	0.8°	0.2°
C4	C3	N2	C1	0.6°	0.3°
C3	C4	C9	H14	179.7°	179.8°
C4	C3	N2	H16	179.4°	179.7°
N6	C3	N2	C1	179.1°	180.0°
N6	C3	N2	H16	0.9°	0.0°
C16	N11	C12	C13	179.5°	179.7°
C16	N11	C12	C18	0.7°	0.0°
N11	C16	H2	H3	120.0°	120.1°
N11	C16	H2	H4	120.0°	120.1°
N11	C16	H3	H4	120.0°	120.0°
N11	C12	C13	C18	178.7°	179.7°
N11	C12	C18	N19	165.2°	84.7°
N11	C12	C13	H1	179.3°	179.8°
C12	N11	C16	H2	179.8°	90.0°
C12	N11	C16	H3	60.1°	150.0°
C12	N11	C16	H4	59.8°	30.0°
N11	C12	C18	H8	45.2°	35.3°
N11	C12	C18	H9	74.8°	155.3°
N5	C1	N2	C3	1.2°	0.2°
N5	C1	N2	N19	178.9°	179.7°
N5	C1	N19	C18	12.5°	179.7°
N5	C1	N19	H15	134.1°	0.3°
N5	C1	N2	H16	178.8°	179.8°
C3	N2	C1	H16	180.0°	180.0°
C3	N2	C1	N19	179.9°	179.9°
C13	C12	C18	N19	16.3°	94.9°
C13	C12	C18	H8	136.3°	145.0°
C13	C12	C18	H9	103.8°	25.1°
C12	C18	N19	C1	73.8°	180.0°
C12	C18	N19	H8	120.0°	120.0°
C12	C18	N19	H9	120.0°	120.0°
C18	C12	C13	H1	0.5°	0.1°
C12	C18	H8	H9	119.9°	119.9°
C12	C18	N19	H15	47.8°	0.0°
N2	C1	N19	C18	166.3°	0.0°
N2	C1	N19	H15	44.7°	180.0°
C1	N19	C18	H15	121.6°	180.0°
C1	N19	C18	H8	46.2°	60.0°
C1	N19	C18	H9	166.1°	60.0°
N19	C1	N2	H16	0.1°	0.1°
N19	C18	H8	H9	119.9°	120.0°
H2	C16	H3	H4	120.0°	119.9°
H5	C17	H6	H7	120.0°	120.0°
H8	C18	N19	H15	167.8°	120.0°
H9	C18	N19	H15	72.2°	120.0°
H10	C10	H11	H12	120.0°	120.0°
H13	C8	C9	H14	0.8°	0.1°

Release date:	2017-12-27
Definition date:	2017-10-05
Last modified:	2017-12-22
Release status:	REL
Processing site:	RCSB
Derived from:	6B7C