BNP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.43Å	1.38Å
O1	C23	sing	1.43Å	1.36Å
C1	C2	sing	1.53Å	1.58Å
C1	C22	sing	1.53Å	1.53Å
C1	H1	sing	1.09Å	1.12Å
C2	C3	sing	1.51Å	1.50Å
C2	C20	sing	1.53Å	1.59Å
C2	H2	sing	1.09Å	1.11Å
C3	C4	doub	1.38Å	1.41Å	Aromatic
C3	C19	sing	1.38Å	1.39Å	Aromatic
C4	C5	sing	1.38Å	1.41Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C5	C6	doub	1.39Å	1.36Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	O2	sing	1.36Å	1.35Å
C6	C18	sing	1.39Å	1.41Å	Aromatic
O2	C8	sing	1.43Å	1.38Å
C8	C9	sing	1.53Å	1.48Å
C8	H81	sing	1.09Å	1.11Å
C8	H82	sing	1.09Å	1.11Å
C9	C10	sing	1.53Å	1.53Å
C9	H91	sing	1.09Å	1.12Å
C9	H92	sing	1.09Å	1.12Å
C10	O3	sing	1.43Å	1.37Å
C10	H101	sing	1.09Å	1.12Å
C10	H102	sing	1.09Å	1.12Å
O3	C11	sing	1.43Å	1.42Å
C11	C12	sing	1.51Å	1.50Å
C11	H111	sing	1.09Å	1.12Å
C11	H112	sing	1.09Å	1.11Å
C12	C13	doub	1.38Å	1.45Å	Aromatic
C12	C16	sing	1.38Å	1.41Å	Aromatic
C13	C14	sing	1.38Å	1.43Å	Aromatic
C13	H13	sing	1.08Å	1.10Å
C14	C15	doub	1.38Å	1.42Å	Aromatic
C14	H14	sing	1.08Å	1.10Å
C15	C17	sing	1.38Å	1.40Å	Aromatic
C15	H15	sing	1.08Å	1.10Å
C16	C17	doub	1.38Å	1.43Å	Aromatic
C16	H16	sing	1.08Å	1.10Å
C17	H17	sing	1.08Å	1.10Å
C18	C19	doub	1.38Å	1.42Å	Aromatic
C18	H18	sing	1.08Å	1.10Å
C19	H19	sing	1.08Å	1.10Å
C20	C21	sing	1.53Å	1.48Å
C20	H201	sing	1.09Å	1.12Å
C20	H202	sing	1.09Å	1.12Å
C21	N0	sing	1.47Å	1.47Å
C21	H211	sing	1.09Å	1.12Å
C21	H212	sing	1.09Å	1.11Å
N0	C22	sing	1.47Å	1.53Å
N0	HN0	sing	1.01Å	1.02Å
C22	H221	sing	1.09Å	1.11Å
C22	H222	sing	1.09Å	1.11Å
C23	C24	sing	1.51Å	1.46Å
C23	H231	sing	1.09Å	1.12Å
C23	H232	sing	1.09Å	1.12Å
C24	C33	doub	1.36Å	1.34Å	Aromatic
C24	C25	sing	1.39Å	1.42Å	Aromatic
C33	C30	sing	1.40Å	1.41Å	Aromatic
C33	H33	sing	1.08Å	1.10Å
C25	C26	doub	1.36Å	1.36Å	Aromatic
C25	H25	sing	1.08Å	1.10Å
C26	C27	sing	1.41Å	1.39Å	Aromatic
C26	H26	sing	1.08Å	1.10Å
C27	C28	doub	1.41Å	1.42Å	Aromatic
C27	C30	sing	1.42Å	1.40Å	Aromatic
C28	C29	sing	1.36Å	1.39Å	Aromatic
C28	H28	sing	1.08Å	1.10Å
C29	C32	doub	1.39Å	1.40Å	Aromatic
C29	H29	sing	1.08Å	1.10Å
C30	C31	doub	1.41Å	1.44Å	Aromatic
C31	C32	sing	1.36Å	1.37Å	Aromatic
C31	H31	sing	1.08Å	1.10Å
C32	H32	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	O1	C23	117.4°	106.8°
O1	C1	C2	113.2°	109.7°
O1	C1	C22	116.6°	109.5°
O1	C1	H1	100.6°	109.5°
O1	C23	C24	99.7°	109.5°
O1	C23	H231	115.9°	109.5°
O1	C23	H232	116.0°	109.5°
C2	C1	C22	106.6°	109.2°
C2	C1	H1	111.8°	109.4°
C1	C2	C3	108.5°	109.6°
C1	C2	C20	109.9°	109.0°
C1	C2	H2	109.6°	109.5°
C22	C1	H1	108.0°	109.5°
C1	C22	N0	105.2°	109.9°
C1	C22	H221	113.8°	109.4°
C1	C22	H222	113.8°	109.5°
C3	C2	C20	109.0°	109.6°
C3	C2	H2	110.6°	109.6°
C2	C3	C4	114.8°	119.9°
C2	C3	C19	125.3°	119.9°
C20	C2	H2	109.3°	109.5°
C2	C20	C21	109.0°	109.2°
C2	C20	H201	112.4°	109.5°
C2	C20	H202	112.4°	109.5°
C4	C3	C19	119.9°	120.1°
C3	C4	C5	122.1°	120.1°
C3	C4	H4	119.0°	119.9°
C3	C19	C18	115.5°	120.0°
C3	C19	H19	121.2°	120.0°
C5	C4	H4	118.9°	120.0°
C4	C5	C6	120.2°	119.9°
C4	C5	H5	121.7°	120.0°
C6	C5	H5	118.1°	120.0°
C5	C6	O2	111.1°	120.0°
C5	C6	C18	116.8°	119.9°
O2	C6	C18	132.0°	120.1°
C6	O2	C8	115.1°	106.8°
C6	C18	C19	125.6°	119.9°
C6	C18	H18	116.7°	120.1°
O2	C8	C9	105.7°	109.5°
O2	C8	H81	113.6°	109.5°
O2	C8	H82	113.6°	109.5°
C9	C8	H81	113.6°	109.5°
C9	C8	H82	113.6°	109.4°
C8	C9	C10	112.9°	109.5°
C8	C9	H91	110.9°	109.4°
C8	C9	H92	111.0°	109.5°
H81	C8	H82	96.8°	109.5°
C10	C9	H91	111.0°	109.5°
C10	C9	H92	111.0°	109.5°
C9	C10	O3	116.0°	109.5°
C9	C10	H101	109.8°	109.5°
C9	C10	H102	109.9°	109.5°
H91	C9	H92	99.4°	109.4°
O3	C10	H101	109.8°	109.5°
O3	C10	H102	109.9°	109.5°
C10	O3	C11	107.7°	106.8°
H101	C10	H102	100.3°	109.4°
O3	C11	C12	103.1°	109.5°
O3	C11	H111	114.6°	109.5°
O3	C11	H112	114.6°	109.5°
C12	C11	H111	114.6°	109.5°
C12	C11	H112	114.6°	109.5°
C11	C12	C13	120.3°	120.0°
C11	C12	C16	120.3°	120.0°
H111	C11	H112	95.9°	109.4°
C13	C12	C16	119.4°	120.0°
C12	C13	C14	119.8°	120.0°
C12	C13	H13	120.7°	120.0°
C12	C16	C17	119.5°	120.0°
C12	C16	H16	119.8°	120.0°
C14	C13	H13	119.4°	120.0°
C13	C14	C15	120.2°	120.0°
C13	C14	H14	120.2°	120.0°
C15	C14	H14	119.6°	120.0°
C14	C15	C17	119.4°	120.0°
C14	C15	H15	120.9°	120.0°
C17	C15	H15	119.7°	120.0°
C15	C17	C16	121.7°	120.0°
C15	C17	H17	118.2°	120.0°
C17	C16	H16	120.8°	120.0°
C16	C17	H17	120.1°	120.0°
C19	C18	H18	117.7°	120.0°
C18	C19	H19	123.3°	120.0°
C21	C20	H201	112.4°	109.6°
C21	C20	H202	112.4°	109.5°
C20	C21	N0	108.0°	109.8°
C20	C21	H211	112.8°	109.4°
C20	C21	H212	112.7°	109.4°
H201	C20	H202	98.0°	109.5°
N0	C21	H211	112.7°	109.5°
N0	C21	H212	112.7°	109.5°
C21	N0	C22	116.7°	107.3°
C21	N0	HN0	109.6°	106.7°
H211	C21	H212	97.7°	109.4°
C22	N0	HN0	109.6°	106.7°
N0	C22	H221	113.8°	109.4°
N0	C22	H222	113.8°	109.4°
H221	C22	H222	96.7°	109.4°
C24	C23	H231	115.9°	109.5°
C24	C23	H232	116.0°	109.5°
C23	C24	C33	111.6°	119.5°
C23	C24	C25	128.2°	119.5°
H231	C23	H232	94.5°	109.4°
C33	C24	C25	120.0°	121.0°
C24	C33	C30	120.2°	119.7°
C24	C33	H33	117.6°	120.1°
C24	C25	C26	121.3°	121.0°
C24	C25	H25	121.6°	119.5°
C30	C33	H33	122.2°	120.2°
C33	C30	C27	119.1°	119.4°
C33	C30	C31	120.3°	121.3°
C26	C25	H25	117.1°	119.5°
C25	C26	C27	119.0°	119.7°
C25	C26	H26	119.2°	120.2°
C27	C26	H26	121.8°	120.1°
C26	C27	C28	124.0°	121.3°
C26	C27	C30	120.3°	119.3°
C28	C27	C30	115.7°	119.4°
C27	C28	C29	122.8°	119.6°
C27	C28	H28	119.7°	120.2°
C27	C30	C31	120.5°	119.3°
C29	C28	H28	117.5°	120.2°
C28	C29	C32	121.4°	121.0°
C28	C29	H29	118.8°	119.5°
C32	C29	H29	119.8°	119.5°
C29	C32	C31	117.1°	121.0°
C29	C32	H32	122.7°	119.5°
C30	C31	C32	122.5°	119.7°
C30	C31	H31	121.4°	120.2°
C32	C31	H31	116.1°	120.1°
C31	C32	H32	120.3°	119.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	C22	129.4°	120.0°
O1	C1	C2	H1	112.8°	120.1°
O1	C1	C22	H1	112.3°	120.1°
O1	C1	C2	C3	49.2°	64.6°
O1	C1	C2	C20	168.3°	175.4°
O1	C1	C2	H2	71.6°	55.6°
O1	C1	C22	N0	172.5°	178.6°
O1	C1	C22	H221	62.3°	61.3°
O1	C1	C22	H222	47.2°	58.5°
C1	O1	C23	C24	168.3°	180.0°
C1	O1	C23	H231	43.1°	60.0°
C1	O1	C23	H232	66.4°	60.0°
C23	O1	C1	C2	152.4°	150.2°
C23	O1	C1	C22	83.4°	90.0°
C23	O1	C1	H1	33.0°	30.1°
O1	C23	C24	H231	125.2°	120.0°
O1	C23	C24	H232	125.3°	120.0°
O1	C23	H231	H232	121.8°	120.0°
O1	C23	C24	C33	114.6°	90.3°
O1	C23	C24	C25	59.7°	90.0°
C2	C1	C22	H1	120.3°	119.8°
C1	C2	C3	C20	119.7°	119.6°
C1	C2	C3	H2	120.2°	120.2°
C1	C2	C20	H2	120.3°	119.8°
C1	C2	C3	C4	69.3°	120.2°
C1	C2	C3	C19	108.1°	59.7°
C1	C2	C20	C21	59.9°	55.5°
C1	C2	C20	H201	65.4°	175.5°
C1	C2	C20	H202	174.9°	64.4°
C2	C1	C22	N0	60.1°	61.3°
C2	C1	C22	H221	65.2°	58.8°
C2	C1	C22	H222	174.7°	178.6°
C22	C1	C2	C3	178.7°	175.3°
C22	C1	C2	C20	62.2°	55.4°
C22	C1	C2	H2	57.8°	64.4°
C1	C22	N0	C21	63.9°	65.6°
C1	C22	N0	H221	125.3°	120.1°
C1	C22	N0	H222	125.3°	120.2°
C1	C22	N0	HN0	61.4°	179.7°
C1	C22	H221	H222	119.7°	119.9°
H1	C1	C2	C3	63.5°	55.4°
H1	C1	C2	C20	55.5°	64.5°
H1	C1	C2	H2	175.6°	175.7°
H1	C1	C22	N0	60.2°	58.5°
H1	C1	C22	H221	174.5°	178.6°
H1	C1	C22	H222	65.0°	61.6°
C3	C2	C20	H2	120.9°	120.2°
C2	C3	C4	C19	177.5°	180.0°
C2	C3	C4	C5	176.8°	180.0°
C2	C3	C4	H4	3.2°	0.0°
C2	C3	C19	C18	176.5°	179.7°
C2	C3	C19	H19	3.5°	0.0°
C3	C2	C20	C21	178.7°	175.4°
C3	C2	C20	H201	53.5°	64.6°
C3	C2	C20	H202	56.0°	55.5°
C20	C2	C3	C4	50.4°	120.2°
C20	C2	C3	C19	132.3°	59.8°
C2	C20	C21	H201	125.3°	120.0°
C2	C20	C21	H202	125.3°	119.9°
C2	C20	H201	H202	118.3°	120.1°
C2	C20	C21	N0	55.9°	61.4°
C2	C20	C21	H211	178.9°	58.8°
C2	C20	C21	H212	69.4°	178.5°
H2	C2	C3	C4	170.5°	0.0°
H2	C2	C3	C19	12.2°	180.0°
H2	C2	C20	C21	60.4°	64.4°
H2	C2	C20	H201	174.3°	55.6°
H2	C2	C20	H202	64.8°	175.7°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	0.3°	0.0°
C3	C4	C5	H5	179.7°	180.0°
C4	C3	C19	C18	0.8°	0.3°
C4	C3	C19	H19	179.3°	180.0°
C19	C3	C4	C5	0.7°	0.0°
C19	C3	C4	H4	179.3°	180.0°
C3	C19	C18	C6	0.5°	0.6°
C3	C19	C18	H19	180.0°	179.7°
C3	C19	C18	H18	179.5°	180.0°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	O2	176.3°	180.0°
C4	C5	C6	C18	0.1°	0.3°
H4	C4	C5	C6	179.7°	180.0°
H4	C4	C5	H5	0.3°	0.0°
C5	C6	O2	C18	175.5°	179.7°
C5	C6	O2	C8	162.2°	180.0°
C5	C6	C18	C19	0.2°	0.6°
C5	C6	C18	H18	179.8°	180.0°
H5	C5	C6	O2	3.7°	0.0°
H5	C5	C6	C18	179.9°	179.8°
C6	O2	C8	C9	161.1°	180.0°
C6	O2	C8	H81	73.7°	60.0°
C6	O2	C8	H82	35.8°	60.1°
O2	C6	C18	C19	175.5°	179.7°
O2	C6	C18	H18	4.5°	0.3°
C18	C6	O2	C8	22.3°	0.2°
C6	C18	C19	H18	180.0°	179.4°
C6	C18	C19	H19	179.5°	179.7°
O2	C8	C9	H81	125.3°	120.0°
O2	C8	C9	H82	125.3°	120.0°
O2	C8	H81	H82	119.5°	120.0°
O2	C8	C9	C10	70.4°	180.0°
O2	C8	C9	H91	164.3°	60.0°
O2	C8	C9	H92	54.9°	60.0°
C9	C8	H81	H82	119.5°	120.0°
C8	C9	C10	H91	125.2°	120.0°
C8	C9	C10	H92	125.3°	120.0°
C8	C9	H91	H92	116.8°	120.0°
C8	C9	C10	O3	67.9°	180.0°
C8	C9	C10	H101	166.9°	60.0°
C8	C9	C10	H102	57.4°	60.0°
H81	C8	C9	C10	54.9°	60.0°
H81	C8	C9	H91	70.4°	180.0°
H81	C8	C9	H92	179.9°	60.1°
H82	C8	C9	C10	164.3°	60.0°
H82	C8	C9	H91	39.1°	60.0°
H82	C8	C9	H92	70.4°	179.9°
C10	C9	H91	H92	116.8°	120.0°
C9	C10	O3	H101	125.3°	120.0°
C9	C10	O3	H102	125.3°	120.0°
C9	C10	H101	H102	115.7°	120.0°
C9	C10	O3	C11	178.3°	180.0°
H91	C9	C10	O3	57.3°	60.0°
H91	C9	C10	H101	67.9°	60.0°
H91	C9	C10	H102	177.4°	180.0°
H92	C9	C10	O3	166.8°	60.0°
H92	C9	C10	H101	41.6°	180.0°
H92	C9	C10	H102	67.9°	60.0°
O3	C10	H101	H102	115.6°	120.0°
C10	O3	C11	C12	114.7°	180.0°
C10	O3	C11	H111	120.0°	60.0°
C10	O3	C11	H112	10.5°	60.0°
H101	C10	O3	C11	53.1°	60.0°
H102	C10	O3	C11	56.4°	60.0°
O3	C11	C12	H111	125.3°	120.0°
O3	C11	C12	H112	125.3°	120.0°
O3	C11	H111	H112	120.5°	120.0°
O3	C11	C12	C13	38.1°	90.0°
O3	C11	C12	C16	143.2°	90.3°
C12	C11	H111	H112	120.5°	120.0°
C11	C12	C13	C16	178.7°	179.7°
C11	C12	C13	C14	178.8°	180.0°
C11	C12	C13	H13	1.2°	0.0°
C11	C12	C16	C17	178.7°	179.8°
C11	C12	C16	H16	1.3°	0.3°
H111	C11	C12	C13	163.3°	30.0°
H111	C11	C12	C16	18.0°	149.7°
H112	C11	C12	C13	87.2°	150.0°
H112	C11	C12	C16	91.5°	29.7°
C12	C13	C14	H13	180.0°	179.9°
C12	C13	C14	C15	0.3°	0.0°
C12	C13	C14	H14	179.8°	180.0°
C13	C12	C16	C17	0.0°	0.5°
C13	C12	C16	H16	180.0°	180.0°
C16	C12	C13	C14	0.1°	0.3°
C16	C12	C13	H13	179.9°	179.7°
C12	C16	C17	C15	0.1°	0.5°
C12	C16	C17	H16	180.0°	179.5°
C12	C16	C17	H17	179.9°	179.7°
C13	C14	C15	H14	180.0°	180.0°
C13	C14	C15	C17	0.3°	0.0°
C13	C14	C15	H15	179.7°	179.9°
H13	C13	C14	C15	179.7°	179.9°
H13	C13	C14	H14	0.2°	0.1°
C14	C15	C17	H15	180.0°	179.9°
C14	C15	C17	C16	0.2°	0.3°
C14	C15	C17	H17	179.7°	180.0°
H14	C14	C15	C17	179.7°	180.0°
H14	C14	C15	H15	0.3°	0.1°
C15	C17	C16	H17	180.0°	179.7°
C15	C17	C16	H16	180.0°	180.0°
H15	C15	C17	C16	179.8°	179.8°
H15	C15	C17	H17	0.3°	0.1°
H16	C16	C17	H17	0.1°	0.2°
H18	C18	C19	H19	0.5°	0.3°
C21	C20	H201	H202	118.3°	120.2°
C20	C21	N0	H211	125.3°	120.1°
C20	C21	N0	H212	125.3°	120.1°
C20	C21	H211	H212	118.7°	119.8°
C20	C21	N0	C22	61.7°	65.6°
C20	C21	N0	HN0	63.5°	179.7°
H201	C20	C21	N0	69.4°	178.7°
H201	C20	C21	H211	55.9°	61.2°
H201	C20	C21	H212	165.3°	58.6°
H202	C20	C21	N0	178.8°	58.5°
H202	C20	C21	H211	53.6°	178.6°
H202	C20	C21	H212	55.9°	61.6°
N0	C21	H211	H212	118.7°	119.9°
C21	N0	C22	HN0	125.3°	114.0°
C21	N0	C22	H221	61.3°	54.5°
C21	N0	C22	H222	170.8°	174.2°
H211	C21	N0	C22	173.0°	54.4°
H211	C21	N0	HN0	61.7°	59.7°
H212	C21	N0	C22	63.5°	174.2°
H212	C21	N0	HN0	171.2°	60.2°
N0	C22	H221	H222	119.7°	119.8°
HN0	N0	C22	H221	173.4°	59.6°
HN0	N0	C22	H222	63.9°	60.2°
C24	C23	H231	H232	121.8°	120.0°
C23	C24	C33	C25	174.9°	179.7°
C23	C24	C33	C30	174.1°	179.7°
C23	C24	C33	H33	5.9°	0.0°
C23	C24	C25	C26	172.9°	180.0°
C23	C24	C25	H25	7.1°	0.0°
H231	C23	C24	C33	120.1°	149.7°
H231	C23	C24	C25	65.5°	30.0°
H232	C23	C24	C33	10.7°	29.7°
H232	C23	C24	C25	175.0°	150.0°
C24	C33	C30	H33	180.0°	179.8°
C33	C24	C25	C26	1.1°	0.3°
C33	C24	C25	H25	178.9°	179.7°
C24	C33	C30	C27	0.2°	0.5°
C24	C33	C30	C31	179.7°	179.7°
C25	C24	C33	C30	0.7°	0.5°
C25	C24	C33	H33	179.3°	179.7°
C24	C25	C26	H25	180.0°	180.0°
C24	C25	C26	C27	0.9°	0.0°
C24	C25	C26	H26	179.1°	180.0°
C33	C30	C27	C26	0.1°	0.3°
C33	C30	C27	C28	179.7°	179.7°
C33	C30	C27	C31	179.9°	179.7°
C33	C30	C31	C32	179.7°	179.7°
C33	C30	C31	H31	0.3°	0.3°
H33	C33	C30	C27	179.7°	179.7°
H33	C33	C30	C31	0.3°	0.0°
C25	C26	C27	H26	180.0°	180.0°
C25	C26	C27	C28	180.0°	180.0°
C25	C26	C27	C30	0.4°	0.0°
H25	C25	C26	C27	179.1°	180.0°
H25	C25	C26	H26	0.9°	0.0°
C26	C27	C28	C30	179.6°	180.0°
C26	C27	C28	C29	179.9°	180.0°
C26	C27	C28	H28	0.1°	0.0°
C26	C27	C30	C31	179.8°	180.0°
H26	C26	C27	C28	0.0°	0.0°
H26	C26	C27	C30	179.6°	180.0°
C27	C28	C29	H28	180.0°	180.0°
C27	C28	C29	C32	0.4°	0.0°
C27	C28	C29	H29	179.6°	180.0°
C28	C27	C30	C31	0.2°	0.0°
C30	C27	C28	C29	0.3°	0.0°
C30	C27	C28	H28	179.7°	180.0°
C27	C30	C31	C32	0.2°	0.0°
C27	C30	C31	H31	179.8°	180.0°
C28	C29	C32	H29	180.0°	180.0°
C28	C29	C32	C31	0.4°	0.0°
C28	C29	C32	H32	179.6°	179.9°
H28	C28	C29	C32	179.6°	180.0°
H28	C28	C29	H29	0.4°	0.0°
C29	C32	C31	C30	0.3°	0.0°
C29	C32	C31	H32	180.0°	179.9°
C29	C32	C31	H31	179.7°	180.0°
H29	C29	C32	C31	179.6°	180.0°
H29	C29	C32	H32	0.4°	0.1°
C30	C31	C32	H31	180.0°	180.0°
C30	C31	C32	H32	179.7°	179.9°
H31	C31	C32	H32	0.3°	0.0°

Definition date:	2003-07-11
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB