6M3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N15	C14	trip	1.14Å	1.15Å
C14	C10	sing	1.43Å	1.43Å
C10	C11	doub	1.39Å	1.39Å	Aromatic
C10	C9	sing	1.40Å	1.42Å	Aromatic
C11	C12	sing	1.39Å	1.39Å	Aromatic
C9	C8	doub	1.38Å	1.41Å	Aromatic
C12	C13	sing	1.48Å	1.51Å
C12	C7	doub	1.39Å	1.42Å	Aromatic
C8	C7	sing	1.38Å	1.44Å	Aromatic
C20	C13	doub	1.39Å	1.41Å	Aromatic
C20	C19	sing	1.38Å	1.41Å	Aromatic
C13	C16	sing	1.39Å	1.41Å	Aromatic
C19	C18	doub	1.38Å	1.41Å	Aromatic
C7	C6	sing	1.51Å	1.55Å
C16	CL1	sing	1.74Å	1.71Å
C16	C17	doub	1.38Å	1.40Å	Aromatic
C18	C17	sing	1.38Å	1.40Å	Aromatic
C6	C24	sing	1.53Å	1.57Å
C6	N2	sing	1.47Å	1.49Å
C3	N2	sing	1.35Å	1.32Å	Aromatic
C3	N4	doub	1.31Å	1.24Å	Aromatic
C24	O25	sing	1.43Å	1.45Å
C24	C23	sing	1.53Å	1.57Å
N2	C1	sing	1.37Å	1.33Å	Aromatic
N4	C5	sing	1.34Å	1.47Å	Aromatic
C23	C22	sing	1.53Å	1.57Å
C1	C5	doub	1.34Å	1.37Å	Aromatic
C1	C21	sing	1.51Å	1.52Å
C21	C22	sing	1.53Å	1.55Å
C3	H1	sing	1.08Å	1.08Å
C11	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
C20	H6	sing	1.08Å	1.08Å
C21	H7	sing	1.09Å	1.10Å
C21	H8	sing	1.09Å	1.10Å
C22	H9	sing	1.09Å	1.10Å
C22	H10	sing	1.09Å	1.10Å
C23	H11	sing	1.09Å	1.10Å
C23	H12	sing	1.09Å	1.10Å
C24	H13	sing	1.09Å	1.10Å
C5	H14	sing	1.08Å	1.08Å
C6	H15	sing	1.09Å	1.10Å
C8	H16	sing	1.08Å	1.08Å
C9	H17	sing	1.08Å	1.08Å
O25	H18	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N15	C14	C10	180.0°	179.9°
C14	C10	C11	120.2°	120.1°
C14	C10	C9	120.2°	120.1°
C11	C10	C9	119.5°	119.8°
C10	C11	C12	122.9°	119.7°
C10	C11	H2	118.6°	120.1°
C10	C9	C8	118.2°	120.1°
C10	C9	H17	120.9°	119.9°
C11	C12	C13	118.9°	120.0°
C11	C12	C7	120.0°	119.9°
C12	C11	H2	118.5°	120.2°
C9	C8	C7	122.3°	120.3°
C9	C8	H16	118.9°	119.9°
C8	C9	H17	120.9°	120.0°
C13	C12	C7	120.0°	120.1°
C12	C13	C20	120.0°	120.1°
C12	C13	C16	120.0°	120.1°
C12	C7	C8	117.0°	120.2°
C12	C7	C6	121.6°	119.9°
C8	C7	C6	121.3°	119.9°
C7	C8	H16	118.9°	119.9°
C13	C20	C19	118.7°	119.9°
C20	C13	C16	118.8°	119.8°
C13	C20	H6	120.7°	120.1°
C20	C19	C18	121.5°	120.1°
C20	C19	H5	119.3°	120.0°
C19	C20	H6	120.7°	120.1°
C13	C16	CL1	118.9°	120.1°
C13	C16	C17	122.6°	119.9°
C19	C18	C17	119.8°	120.3°
C19	C18	H4	120.1°	119.8°
C18	C19	H5	119.3°	119.9°
C7	C6	C24	111.4°	109.5°
C7	C6	N2	113.0°	109.6°
C7	C6	H15	106.1°	109.5°
CL1	C16	C17	118.0°	120.1°
C16	C17	C18	118.2°	120.1°
C16	C17	H3	120.9°	120.0°
C18	C17	H3	120.9°	119.9°
C17	C18	H4	120.1°	119.9°
C24	C6	N2	113.1°	109.4°
C6	C24	O25	106.7°	109.4°
C6	C24	C23	110.4°	109.8°
C6	C24	H13	109.0°	109.3°
C24	C6	H15	105.9°	109.5°
C6	N2	C3	124.5°	126.8°
C6	N2	C1	127.8°	126.0°
N2	C6	H15	106.8°	109.5°
N2	C3	N4	112.5°	108.7°
C3	N2	C1	107.7°	107.1°
N2	C3	H1	123.7°	125.7°
C3	N4	C5	107.8°	109.3°
N4	C3	H1	123.7°	125.6°
O25	C24	C23	111.2°	109.4°
O25	C24	H13	110.5°	109.4°
C24	O25	H18	109.5°	114.0°
C24	C23	C22	116.6°	110.6°
C24	C23	H11	107.7°	109.2°
C24	C23	H12	107.7°	109.2°
C23	C24	H13	109.0°	109.4°
N2	C1	C5	109.8°	107.1°
N2	C1	C21	127.2°	125.6°
N4	C5	C1	102.1°	107.8°
N4	C5	H14	129.0°	126.1°
C23	C22	C21	113.9°	109.5°
C23	C22	H9	108.3°	109.4°
C23	C22	H10	108.4°	109.4°
C22	C23	H11	107.7°	109.3°
C22	C23	H12	107.7°	109.3°
C5	C1	C21	123.0°	127.3°
C1	C5	H14	128.9°	126.1°
C1	C21	C22	114.2°	109.0°
C1	C21	H7	108.3°	109.6°
C1	C21	H8	108.3°	109.5°
C22	C21	H7	108.3°	109.5°
C22	C21	H8	108.3°	109.5°
C21	C22	H9	108.3°	109.5°
C21	C22	H10	108.4°	109.5°
H7	C21	H8	109.5°	109.6°
H9	C22	H10	109.5°	109.5°
H11	C23	H12	109.5°	109.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N15	C14	C10	C11	146.7°	78.6°
N15	C14	C10	C9	36.2°	102.0°
C14	C10	C11	C9	177.1°	179.4°
C14	C10	C11	C12	176.6°	179.9°
C14	C10	C9	C8	177.6°	179.9°
C14	C10	C11	H2	3.4°	0.4°
C14	C10	C9	H17	2.4°	0.3°
C10	C11	C12	H2	180.0°	179.7°
C11	C10	C9	C8	0.5°	0.5°
C10	C11	C12	C13	170.9°	179.7°
C10	C11	C12	C7	3.1°	0.3°
C11	C10	C9	H17	179.5°	179.7°
C9	C10	C11	C12	0.4°	0.6°
C10	C9	C8	H17	180.0°	179.8°
C10	C9	C8	C7	1.1°	0.2°
C9	C10	C11	H2	179.6°	179.7°
C10	C9	C8	H16	178.8°	179.7°
C11	C12	C13	C7	167.9°	180.0°
C11	C12	C7	C8	4.5°	0.0°
C11	C12	C13	C20	67.8°	67.7°
C11	C12	C13	C16	99.5°	112.0°
C11	C12	C7	C6	179.2°	180.0°
C9	C8	C7	C12	3.6°	0.0°
C9	C8	C7	H16	180.0°	180.0°
C9	C8	C7	C6	179.9°	180.0°
C13	C12	C7	C8	172.2°	180.0°
C12	C13	C20	C16	167.5°	179.7°
C12	C13	C20	C19	174.5°	179.7°
C13	C12	C7	C6	11.5°	0.0°
C12	C13	C16	CL1	12.7°	0.1°
C12	C13	C16	C17	175.5°	180.0°
C13	C12	C11	H2	9.1°	0.0°
C12	C13	C20	H6	5.4°	0.0°
C12	C7	C8	C6	176.3°	180.0°
C7	C12	C13	C20	100.1°	112.3°
C7	C12	C13	C16	92.6°	67.9°
C12	C7	C6	C24	126.5°	78.1°
C12	C7	C6	N2	104.9°	162.0°
C7	C12	C11	H2	176.9°	180.0°
C12	C7	C6	H15	11.8°	41.9°
C12	C7	C8	H16	176.4°	180.0°
C8	C7	C6	C24	57.3°	101.9°
C8	C7	C6	N2	71.3°	18.0°
C8	C7	C6	H15	172.1°	138.1°
C7	C8	C9	H17	178.8°	180.0°
C13	C20	C19	H6	180.0°	179.7°
C13	C20	C19	C18	2.7°	0.6°
C20	C13	C16	CL1	179.8°	179.8°
C20	C13	C16	C17	8.0°	0.3°
C13	C20	C19	H5	177.3°	179.7°
C19	C20	C13	C16	7.0°	0.6°
C20	C19	C18	H5	180.0°	179.7°
C20	C19	C18	C17	1.1°	0.4°
C20	C19	C18	H4	178.9°	179.7°
C13	C16	CL1	C17	172.1°	179.9°
C13	C16	C17	C18	4.2°	0.1°
C13	C16	C17	H3	175.8°	179.9°
C16	C13	C20	H6	173.0°	179.7°
C19	C18	C17	C16	0.4°	0.1°
C19	C18	C17	H4	180.0°	179.9°
C19	C18	C17	H3	179.6°	179.9°
C18	C19	C20	H6	177.3°	179.7°
C7	C6	C24	N2	128.6°	120.1°
C7	C6	C24	H15	114.8°	120.0°
C7	C6	N2	H15	116.3°	120.0°
C7	C6	N2	C3	6.3°	87.1°
C7	C6	C24	O25	82.8°	89.4°
C7	C6	C24	C23	156.3°	30.7°
C7	C6	N2	C1	172.6°	91.9°
C7	C6	C24	H13	36.6°	150.8°
C6	C7	C8	H16	0.0°	0.0°
CL1	C16	C17	C18	176.0°	180.0°
CL1	C16	C17	H3	4.0°	0.0°
C16	C17	C18	H3	180.0°	180.0°
C16	C17	C18	H4	179.6°	180.0°
C17	C18	C19	H5	178.9°	180.0°
C24	C6	N2	H15	116.1°	119.9°
C24	C6	N2	C3	121.4°	152.9°
C6	C24	O25	C23	120.5°	120.4°
C6	C24	O25	H13	118.4°	119.8°
C6	C24	C23	H13	119.7°	120.0°
C24	C6	N2	C1	59.7°	28.1°
C6	C24	C23	C22	71.3°	61.7°
C6	C24	C23	H11	49.7°	58.6°
C6	C24	C23	H12	167.7°	178.0°
C6	C24	O25	H18	180.0°	179.6°
C6	N2	C3	C1	179.1°	179.2°
C6	N2	C3	N4	179.2°	178.4°
N2	C6	C24	O25	45.8°	150.5°
N2	C6	C24	C23	75.2°	89.4°
C6	N2	C1	C5	179.5°	178.5°
C6	N2	C1	C21	2.7°	1.8°
C6	N2	C3	H1	0.8°	1.6°
N2	C6	C24	H13	165.2°	30.7°
N2	C3	N4	H1	180.0°	179.9°
N2	C3	N4	C5	1.1°	0.6°
C3	N2	C1	C5	1.4°	0.7°
C3	N2	C1	C21	178.3°	179.1°
C3	N2	C6	H15	122.6°	33.0°
N4	C3	N2	C1	0.1°	0.8°
C3	N4	C5	C1	1.9°	0.2°
C3	N4	C5	H14	178.1°	179.8°
O25	C24	C23	H13	122.1°	119.8°
O25	C24	C23	C22	47.0°	178.2°
O25	C24	C23	H11	168.0°	61.6°
O25	C24	C23	H12	74.1°	57.9°
O25	C24	C6	H15	162.4°	30.6°
C24	C23	C22	H11	121.0°	120.3°
C24	C23	C22	H12	121.0°	120.3°
C24	C23	C22	C21	69.5°	33.5°
C24	C23	C22	H9	169.9°	86.5°
C24	C23	C22	H10	51.2°	153.5°
C24	C23	H11	H12	116.8°	119.4°
C23	C24	C6	H15	41.4°	150.7°
C23	C24	O25	H18	59.5°	60.0°
N2	C1	C5	N4	1.9°	0.3°
N2	C1	C5	C21	177.0°	179.7°
N2	C1	C21	C22	52.9°	47.2°
C1	N2	C3	H1	179.9°	179.3°
N2	C1	C21	H7	173.6°	167.1°
N2	C1	C21	H8	67.8°	72.6°
N2	C1	C5	H14	178.1°	179.7°
C1	N2	C6	H15	56.3°	148.0°
N4	C5	C1	H14	180.0°	180.0°
N4	C5	C1	C21	179.0°	179.4°
C5	N4	C3	H1	178.9°	179.5°
C23	C22	C21	C1	68.9°	88.2°
C23	C22	C21	H9	120.7°	120.0°
C23	C22	C21	H10	120.7°	120.0°
C23	C22	C21	H7	170.4°	151.9°
C23	C22	C21	H8	51.8°	31.6°
C23	C22	H9	H10	118.0°	119.9°
C22	C23	H11	H12	116.8°	119.5°
C22	C23	C24	H13	169.0°	58.3°
C5	C1	C21	C22	123.6°	133.1°
C5	C1	C21	H7	2.9°	13.2°
C5	C1	C21	H8	115.7°	107.1°
C1	C21	C22	H7	120.7°	119.9°
C1	C21	C22	H8	120.7°	119.8°
C1	C21	H7	H8	117.8°	120.2°
C1	C21	C22	H9	170.5°	31.7°
C1	C21	C22	H10	51.8°	151.8°
C21	C1	C5	H14	1.0°	0.6°
C22	C21	H7	H8	117.8°	120.2°
C21	C22	H9	H10	118.0°	120.1°
C21	C22	C23	H11	51.5°	153.7°
C21	C22	C23	H12	169.5°	86.8°
H3	C17	C18	H4	0.4°	0.0°
H4	C18	C19	H5	1.1°	0.1°
H5	C19	C20	H6	2.7°	0.0°
H7	C21	C22	H9	49.8°	88.2°
H7	C21	C22	H10	68.9°	31.9°
H8	C21	C22	H9	68.8°	151.6°
H8	C21	C22	H10	172.5°	88.4°
H9	C22	C23	H11	69.1°	33.7°
H9	C22	C23	H12	48.8°	153.2°
H10	C22	C23	H11	172.2°	86.2°
H10	C22	C23	H12	69.8°	33.2°
H11	C23	C24	H13	70.0°	178.6°
H12	C23	C24	H13	48.0°	62.0°
H13	C24	C6	H15	78.2°	89.3°
H13	C24	O25	H18	61.6°	59.8°
H16	C8	C9	H17	1.2°	0.0°

Release date:	2016-11-02
Definition date:	2016-05-04
Last modified:	2016-10-28
Release status:	REL
Processing site:	EBI
Derived from:	5JOH