6BN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O19	C18	doub	1.22Å	1.23Å
CL	C3	sing	1.74Å	1.73Å
C11	C10	sing	1.53Å	1.51Å
C11	C4	sing	1.51Å	1.51Å
C10	N9	sing	1.46Å	1.47Å
C18	N17	sing	1.35Å	1.39Å
C18	C13	sing	1.41Å	1.47Å
C4	C3	doub	1.38Å	1.40Å	Aromatic
C4	C5	sing	1.40Å	1.42Å	Aromatic
C3	C2	sing	1.39Å	1.38Å	Aromatic
C12	N9	sing	1.47Å	1.45Å
C12	C13	sing	1.51Å	1.51Å
N9	C8	sing	1.35Å	1.37Å
N17	C16	sing	1.36Å	1.38Å
C13	C14	doub	1.36Å	1.38Å
C8	C5	sing	1.48Å	1.49Å
C8	O23	doub	1.22Å	1.23Å
C2	C1	doub	1.39Å	1.38Å	Aromatic
C5	C6	doub	1.39Å	1.39Å	Aromatic
C16	C20	sing	1.51Å	1.49Å
C16	C15	doub	1.35Å	1.36Å
C1	C6	sing	1.39Å	1.39Å	Aromatic
C1	O25	sing	1.36Å	1.37Å
C6	CL7	sing	1.74Å	1.72Å
C14	C15	sing	1.40Å	1.44Å
C14	C21	sing	1.51Å	1.51Å
C27	C28	sing	1.53Å	1.51Å
C27	C26	sing	1.53Å	1.51Å
C28	N29	sing	1.47Å	1.47Å
O25	C26	sing	1.43Å	1.44Å
C21	C22	sing	1.53Å	1.52Å
C26	C31	sing	1.53Å	1.51Å
C34	C33	sing	1.53Å	1.51Å
C33	O35	sing	1.43Å	1.42Å
C33	C32	sing	1.51Å	1.52Å
N29	C32	sing	1.35Å	1.35Å
N29	C30	sing	1.47Å	1.47Å
C31	C30	sing	1.53Å	1.52Å
C32	O36	doub	1.21Å	1.22Å
C10	H1	sing	1.09Å	1.10Å
C10	H2	sing	1.09Å	1.10Å
C15	H3	sing	1.08Å	1.08Å
C20	H4	sing	1.09Å	1.10Å
C20	H5	sing	1.09Å	1.10Å
C20	H6	sing	1.09Å	1.10Å
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
C22	H11	sing	1.09Å	1.10Å
C26	H12	sing	1.09Å	1.10Å
C28	H13	sing	1.09Å	1.10Å
C28	H14	sing	1.09Å	1.10Å
C2	H15	sing	1.08Å	1.08Å
C11	H16	sing	1.09Å	1.10Å
C11	H17	sing	1.09Å	1.10Å
C12	H18	sing	1.09Å	1.10Å
C12	H19	sing	1.09Å	1.10Å
N17	H20	sing	0.97Å	1.00Å
C27	H21	sing	1.09Å	1.10Å
C27	H22	sing	1.09Å	1.10Å
C30	H23	sing	1.09Å	1.10Å
C30	H24	sing	1.09Å	1.10Å
C31	H25	sing	1.09Å	1.10Å
C31	H26	sing	1.09Å	1.10Å
C33	H27	sing	1.09Å	1.10Å
C34	H28	sing	1.09Å	1.10Å
C34	H29	sing	1.09Å	1.10Å
C34	H30	sing	1.09Å	1.10Å
O35	H31	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O19	C18	N17	119.3°	119.9°
O19	C18	C13	125.1°	120.0°
CL	C3	C4	120.1°	120.0°
CL	C3	C2	116.7°	120.0°
C10	C11	C4	110.6°	110.1°
C11	C10	N9	110.5°	110.9°
C11	C10	H1	109.2°	109.2°
C11	C10	H2	109.2°	109.1°
C10	C11	H16	109.2°	109.4°
C10	C11	H17	109.2°	109.3°
C11	C4	C3	121.7°	120.6°
C11	C4	C5	120.4°	119.4°
C4	C11	H16	109.2°	109.4°
C4	C11	H17	109.2°	109.4°
C10	N9	C12	116.1°	119.4°
C10	N9	C8	123.5°	121.1°
N9	C10	H1	109.2°	109.2°
N9	C10	H2	109.2°	109.2°
N17	C18	C13	115.6°	120.0°
C18	N17	C16	123.5°	120.7°
C18	N17	H20	118.3°	119.7°
C18	C13	C12	114.9°	120.3°
C18	C13	C14	122.3°	119.3°
C3	C4	C5	117.8°	120.0°
C4	C3	C2	123.1°	120.0°
C4	C5	C8	116.3°	119.1°
C4	C5	C6	118.7°	120.0°
C3	C2	C1	118.3°	120.4°
C3	C2	H15	120.8°	119.8°
N9	C12	C13	112.5°	109.5°
C12	N9	C8	119.6°	119.5°
N9	C12	H18	108.7°	109.5°
N9	C12	H19	108.7°	109.5°
C12	C13	C14	122.8°	120.3°
C13	C12	H18	108.7°	109.4°
C13	C12	H19	108.7°	109.5°
N9	C8	C5	115.8°	119.4°
N9	C8	O23	122.4°	120.3°
N17	C16	C20	116.5°	119.6°
N17	C16	C15	119.8°	120.7°
C16	N17	H20	118.3°	119.6°
C13	C14	C15	117.3°	119.3°
C13	C14	C21	124.5°	120.4°
C5	C8	O23	121.8°	120.3°
C8	C5	C6	124.8°	120.9°
C2	C1	C6	120.5°	120.1°
C2	C1	O25	123.9°	120.0°
C1	C2	H15	120.9°	119.8°
C5	C6	C1	121.5°	119.5°
C5	C6	CL7	120.7°	120.2°
C20	C16	C15	123.6°	119.6°
C16	C20	H4	109.5°	109.4°
C16	C20	H5	109.4°	109.5°
C16	C20	H6	109.5°	109.5°
C16	C15	C14	121.6°	119.9°
C16	C15	H3	119.3°	120.0°
C6	C1	O25	115.6°	120.0°
C1	C6	CL7	117.8°	120.3°
C1	O25	C26	125.6°	117.0°
C15	C14	C21	118.2°	120.3°
C14	C15	H3	119.2°	120.1°
C14	C21	C22	118.0°	109.5°
C14	C21	H7	107.3°	109.4°
C14	C21	H8	107.3°	109.5°
C28	C27	C26	110.1°	109.3°
C27	C28	N29	112.0°	108.7°
C27	C28	H13	108.8°	109.6°
C27	C28	H14	108.8°	109.7°
C28	C27	H21	109.3°	109.6°
C28	C27	H22	109.3°	109.4°
C27	C26	O25	104.7°	109.4°
C27	C26	C31	111.5°	109.5°
C27	C26	H12	111.7°	109.5°
C26	C27	H21	109.3°	109.5°
C26	C27	H22	109.3°	109.5°
C28	N29	C32	124.6°	120.6°
C28	N29	C30	113.7°	118.7°
N29	C28	H13	108.8°	109.6°
N29	C28	H14	108.9°	109.6°
O25	C26	C31	104.0°	109.5°
O25	C26	H12	112.8°	109.4°
C22	C21	H7	107.3°	109.5°
C22	C21	H8	107.3°	109.5°
C21	C22	H9	109.5°	109.5°
C21	C22	H10	109.5°	109.5°
C21	C22	H11	109.5°	109.5°
C26	C31	C30	110.2°	109.3°
C31	C26	H12	111.7°	109.5°
C26	C31	H25	109.3°	109.5°
C26	C31	H26	109.3°	109.5°
C34	C33	O35	110.3°	109.5°
C34	C33	C32	110.2°	109.5°
C34	C33	H27	108.9°	109.5°
C33	C34	H28	109.5°	109.5°
C33	C34	H29	109.5°	109.5°
C33	C34	H30	109.4°	109.5°
O35	C33	C32	108.5°	109.5°
O35	C33	H27	110.1°	109.5°
C33	O35	H31	109.5°	114.0°
C33	C32	N29	118.5°	120.0°
C33	C32	O36	119.5°	120.0°
C32	C33	H27	108.8°	109.4°
C32	N29	C30	120.9°	120.7°
N29	C32	O36	122.0°	120.0°
N29	C30	C31	111.6°	108.7°
N29	C30	H23	108.9°	109.5°
N29	C30	H24	108.9°	109.6°
C31	C30	H23	108.9°	109.6°
C31	C30	H24	108.9°	109.7°
C30	C31	H25	109.3°	109.5°
C30	C31	H26	109.3°	109.5°
H1	C10	H2	109.5°	109.2°
H4	C20	H5	109.5°	109.5°
H4	C20	H6	109.5°	109.5°
H5	C20	H6	109.5°	109.5°
H7	C21	H8	109.4°	109.5°
H9	C22	H10	109.5°	109.5°
H9	C22	H11	109.5°	109.5°
H10	C22	H11	109.5°	109.4°
H13	C28	H14	109.5°	109.7°
H16	C11	H17	109.5°	109.3°
H18	C12	H19	109.5°	109.5°
H21	C27	H22	109.5°	109.5°
H23	C30	H24	109.5°	109.6°
H25	C31	H26	109.5°	109.5°
H28	C34	H29	109.5°	109.5°
H28	C34	H30	109.5°	109.5°
H29	C34	H30	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O19	C18	N17	C13	179.8°	180.0°
O19	C18	C13	C12	1.9°	0.2°
O19	C18	N17	C16	179.8°	179.5°
O19	C18	C13	C14	179.0°	180.0°
O19	C18	N17	H20	0.2°	0.2°
CL	C3	C4	C11	4.5°	1.6°
CL	C3	C4	C2	179.6°	180.0°
CL	C3	C4	C5	178.8°	179.3°
CL	C3	C2	C1	178.2°	180.0°
CL	C3	C2	H15	1.7°	0.0°
C10	C11	C4	H16	120.2°	120.3°
C10	C11	C4	H17	120.2°	120.1°
C11	C10	N9	H1	120.1°	120.4°
C11	C10	N9	H2	120.2°	120.3°
C10	C11	C4	C3	147.2°	146.9°
C10	C11	C4	C5	29.5°	34.1°
C11	C10	N9	C12	138.8°	140.1°
C11	C10	N9	C8	31.2°	40.0°
C11	C10	H1	H2	119.6°	119.3°
C10	C11	H16	H17	119.5°	119.7°
C4	C11	C10	N9	48.8°	50.6°
C11	C4	C3	C5	176.7°	179.1°
C11	C4	C3	C2	175.1°	178.4°
C11	C4	C5	C8	11.4°	2.9°
C11	C4	C5	C6	173.0°	178.1°
C4	C11	C10	H1	71.3°	69.8°
C4	C11	C10	H2	169.0°	171.0°
C4	C11	H16	H17	119.5°	119.7°
C10	N9	C12	C8	170.4°	180.0°
C10	N9	C12	C13	68.7°	95.6°
C10	N9	C8	C5	10.3°	7.9°
C10	N9	C8	O23	169.8°	172.1°
N9	C10	H1	H2	119.5°	119.3°
N9	C10	C11	H16	71.4°	69.6°
N9	C10	C11	H17	169.0°	170.7°
C10	N9	C12	H18	51.7°	24.3°
C10	N9	C12	H19	170.8°	144.4°
N17	C18	C13	C12	178.3°	179.7°
C18	N17	C16	H20	180.0°	179.8°
N17	C18	C13	C14	0.8°	0.0°
C18	N17	C16	C20	178.6°	179.8°
C18	N17	C16	C15	0.6°	0.8°
C18	C13	C12	N9	106.0°	71.7°
C18	C13	C12	C14	179.1°	179.8°
C13	C18	N17	C16	0.0°	0.5°
C18	C13	C14	C15	1.0°	0.2°
C18	C13	C14	C21	177.2°	179.8°
C18	C13	C12	H18	14.4°	48.3°
C18	C13	C12	H19	133.6°	168.3°
C13	C18	N17	H20	180.0°	179.7°
C3	C4	C5	C8	171.8°	178.0°
C4	C3	C2	C1	1.4°	0.1°
C3	C4	C5	C6	3.8°	1.0°
C4	C3	C2	H15	178.6°	180.0°
C3	C4	C11	H16	92.6°	92.9°
C3	C4	C11	H17	27.0°	26.8°
C5	C4	C3	C2	1.6°	0.6°
C4	C5	C8	N9	32.5°	12.2°
C4	C5	C8	C6	175.3°	179.0°
C4	C5	C8	O23	147.5°	167.8°
C4	C5	C6	C1	3.2°	0.7°
C4	C5	C6	CL7	174.2°	179.3°
C5	C4	C11	H16	90.7°	86.2°
C5	C4	C11	H17	149.7°	154.2°
C3	C2	C1	H15	180.0°	179.9°
C3	C2	C1	C6	2.1°	0.4°
C3	C2	C1	O25	179.5°	179.7°
N9	C12	C13	H18	120.5°	120.0°
N9	C12	C13	H19	120.4°	120.0°
N9	C12	C13	C14	73.1°	108.5°
C12	N9	C8	C5	179.9°	172.2°
C12	N9	C8	O23	0.2°	7.9°
C12	N9	C10	H1	101.0°	99.5°
C12	N9	C10	H2	18.6°	19.8°
N9	C12	H18	H19	118.6°	120.1°
C13	C12	N9	C8	120.9°	84.4°
C12	C13	C14	C15	178.1°	180.0°
C12	C13	C14	C21	3.7°	0.0°
C13	C12	H18	H19	118.6°	120.0°
N9	C8	C5	O23	180.0°	180.0°
N9	C8	C5	C6	152.2°	166.8°
C8	N9	C10	H1	89.0°	80.4°
C8	N9	C10	H2	151.3°	160.3°
C8	N9	C12	H18	118.7°	155.7°
C8	N9	C12	H19	0.4°	35.6°
N17	C16	C20	C15	179.2°	179.5°
N17	C16	C15	C14	0.4°	0.5°
N17	C16	C15	H3	179.6°	179.6°
N17	C16	C20	H4	180.0°	89.5°
N17	C16	C20	H5	60.0°	30.5°
N17	C16	C20	H6	60.0°	150.5°
C13	C14	C15	C16	0.3°	0.0°
C13	C14	C15	C21	178.3°	180.0°
C13	C14	C21	C22	175.1°	93.6°
C13	C14	C15	H3	179.7°	179.9°
C13	C14	C21	H7	63.6°	26.5°
C13	C14	C21	H8	53.9°	146.5°
C14	C13	C12	H18	166.5°	131.5°
C14	C13	C12	H19	47.3°	11.5°
C8	C5	C6	C1	172.0°	178.4°
C8	C5	C6	CL7	10.6°	1.7°
O23	C8	C5	C6	27.8°	13.2°
C2	C1	C6	C5	0.2°	0.0°
C2	C1	C6	O25	178.5°	179.9°
C2	C1	C6	CL7	177.3°	180.0°
C2	C1	O25	C26	5.7°	3.0°
C5	C6	C1	CL7	177.4°	179.9°
C5	C6	C1	O25	178.4°	180.0°
C20	C16	C15	C14	178.7°	180.0°
C20	C16	C15	H3	1.3°	0.1°
C16	C20	H4	H5	120.0°	120.0°
C16	C20	H4	H6	120.0°	120.0°
C16	C20	H5	H6	120.0°	120.0°
C20	C16	N17	H20	1.4°	0.0°
C16	C15	C14	H3	180.0°	179.9°
C16	C15	C14	C21	178.0°	180.0°
C15	C16	C20	H4	0.8°	90.0°
C15	C16	C20	H5	119.2°	150.0°
C15	C16	C20	H6	120.8°	30.0°
C15	C16	N17	H20	179.4°	179.4°
C6	C1	O25	C26	172.7°	176.9°
C6	C1	C2	H15	177.9°	179.7°
O25	C1	C6	CL7	4.2°	0.1°
C1	O25	C26	C27	86.9°	82.9°
C1	O25	C26	C31	155.9°	157.1°
C1	O25	C26	H12	34.7°	37.1°
O25	C1	C2	H15	0.5°	0.2°
C15	C14	C21	C22	6.7°	86.4°
C15	C14	C21	H7	114.5°	153.5°
C15	C14	C21	H8	127.9°	33.5°
C14	C21	C22	H7	121.2°	120.0°
C14	C21	C22	H8	121.2°	120.0°
C21	C14	C15	H3	2.0°	0.1°
C14	C21	H7	H8	116.1°	120.0°
C14	C21	C22	H9	180.0°	60.0°
C14	C21	C22	H10	60.0°	60.0°
C14	C21	C22	H11	60.0°	180.0°
C28	C27	C26	H21	120.1°	120.0°
C28	C27	C26	H22	120.1°	119.9°
C27	C28	N29	H13	120.4°	119.7°
C27	C28	N29	H14	120.4°	119.9°
C28	C27	C26	O25	168.0°	178.6°
C28	C27	C26	C31	56.2°	61.4°
C27	C28	N29	C32	136.3°	126.4°
C27	C28	N29	C30	53.8°	53.7°
C28	C27	C26	H12	69.6°	58.6°
C27	C28	H13	H14	118.8°	120.5°
C28	C27	H21	H22	119.7°	120.0°
C26	C27	C28	N29	54.2°	54.7°
C27	C26	O25	C31	117.2°	120.1°
C27	C26	O25	H12	121.6°	120.0°
C27	C26	C31	H12	125.7°	120.1°
C27	C26	C31	C30	55.9°	61.4°
C26	C27	C28	H13	174.6°	174.4°
C26	C27	C28	H14	66.2°	65.1°
C26	C27	H21	H22	119.7°	120.0°
C27	C26	C31	H25	176.0°	178.7°
C27	C26	C31	H26	64.2°	58.6°
C28	N29	C32	C33	5.0°	5.2°
C28	N29	C32	C30	169.2°	180.0°
C28	N29	C30	C31	53.3°	53.7°
C28	N29	C32	O36	175.0°	174.8°
N29	C28	H13	H14	118.9°	120.3°
N29	C28	C27	H21	174.3°	65.3°
N29	C28	C27	H22	65.9°	174.6°
C28	N29	C30	H23	173.6°	173.4°
C28	N29	C30	H24	67.0°	66.3°
O25	C26	C31	H12	121.9°	119.9°
O25	C26	C31	C30	168.3°	178.6°
O25	C26	C27	H21	71.8°	61.4°
O25	C26	C27	H22	48.0°	58.7°
O25	C26	C31	H25	71.6°	58.7°
O25	C26	C31	H26	48.2°	61.4°
C22	C21	H7	H8	116.1°	120.0°
C21	C22	H9	H10	120.0°	120.0°
C21	C22	H9	H11	120.0°	120.0°
C21	C22	H10	H11	120.0°	120.0°
C26	C31	C30	N29	53.6°	54.7°
C26	C31	C30	H25	120.1°	120.0°
C26	C31	C30	H26	120.1°	120.0°
C31	C26	C27	H21	176.3°	58.6°
C31	C26	C27	H22	63.9°	178.7°
C26	C31	C30	H23	173.9°	174.4°
C26	C31	C30	H24	66.7°	65.2°
C26	C31	H25	H26	119.7°	120.1°
C34	C33	O35	C32	120.8°	120.0°
C34	C33	O35	H27	120.2°	120.0°
C34	C33	C32	H27	119.3°	120.0°
C34	C33	C32	N29	71.9°	68.5°
C34	C33	C32	O36	108.1°	111.5°
C33	C34	H28	H29	120.0°	120.0°
C33	C34	H28	H30	120.0°	120.0°
C33	C34	H29	H30	120.0°	120.0°
C34	C33	O35	H31	115.1°	60.0°
O35	C33	C32	H27	119.8°	120.0°
O35	C33	C32	N29	167.3°	171.4°
O35	C33	C32	O36	12.7°	8.6°
O35	C33	C34	H28	180.0°	65.0°
O35	C33	C34	H29	60.0°	175.0°
O35	C33	C34	H30	60.0°	55.0°
C33	C32	N29	O36	180.0°	180.0°
C33	C32	N29	C30	164.1°	174.8°
C32	C33	C34	H28	60.2°	175.0°
C32	C33	C34	H29	59.8°	55.0°
C32	C33	C34	H30	179.8°	65.0°
C32	C33	O35	H31	5.7°	60.0°
C32	N29	C30	C31	136.4°	126.4°
C32	N29	C28	H13	16.0°	6.6°
C32	N29	C28	H14	103.3°	113.7°
C32	N29	C30	H23	16.1°	6.6°
C32	N29	C30	H24	103.2°	113.7°
N29	C32	C33	H27	47.4°	51.4°
N29	C30	C31	H23	120.3°	119.7°
N29	C30	C31	H24	120.3°	119.9°
C30	N29	C32	O36	15.9°	5.2°
C30	N29	C28	H13	174.2°	173.4°
C30	N29	C28	H14	66.5°	66.3°
N29	C30	H23	H24	119.0°	120.3°
N29	C30	C31	H25	173.7°	174.6°
N29	C30	C31	H26	66.5°	65.3°
C30	C31	C26	H12	69.8°	58.7°
C31	C30	H23	H24	119.0°	120.5°
C30	C31	H25	H26	119.6°	120.0°
O36	C32	C33	H27	132.6°	128.6°
H1	C10	C11	H16	168.5°	170.0°
H1	C10	C11	H17	48.9°	50.4°
H2	C10	C11	H16	48.8°	50.7°
H2	C10	C11	H17	70.9°	68.9°
H4	C20	H5	H6	120.0°	120.0°
H7	C21	C22	H9	58.8°	60.0°
H7	C21	C22	H10	178.8°	180.0°
H7	C21	C22	H11	61.3°	60.0°
H8	C21	C22	H9	58.8°	180.0°
H8	C21	C22	H10	61.2°	60.0°
H8	C21	C22	H11	178.8°	60.0°
H9	C22	H10	H11	120.0°	120.0°
H12	C26	C27	H21	50.5°	178.7°
H12	C26	C27	H22	170.3°	61.3°
H12	C26	C31	H25	50.3°	61.3°
H12	C26	C31	H26	170.1°	178.7°
H13	C28	C27	H21	65.3°	54.4°
H13	C28	C27	H22	54.5°	65.7°
H14	C28	C27	H21	54.0°	174.8°
H14	C28	C27	H22	173.7°	54.7°
H23	C30	C31	H25	65.9°	65.7°
H23	C30	C31	H26	53.8°	54.4°
H24	C30	C31	H25	53.4°	54.7°
H24	C30	C31	H26	173.1°	174.8°
H27	C33	C34	H28	59.1°	55.0°
H27	C33	C34	H29	179.1°	65.0°
H27	C33	C34	H30	60.9°	175.0°
H27	C33	O35	H31	124.7°	180.0°
H28	C34	H29	H30	120.0°	120.0°

Release date:	2016-05-04
Definition date:	2016-03-02
Last modified:	2016-04-29
Release status:	REL
Processing site:	RCSB
Derived from:	5IJ8