NBF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C25	C24	sing	1.53Å	1.55Å
C25	H251	sing	1.09Å	1.11Å
C25	H252	sing	1.09Å	1.12Å
C25	H253	sing	1.09Å	1.11Å
C24	O23	sing	1.43Å	1.45Å
C24	H241	sing	1.09Å	1.11Å
C24	H242	sing	1.09Å	1.12Å
O23	C15	sing	1.35Å	1.39Å
C15	C13	doub	1.40Å	1.46Å	Aromatic
C15	C21	sing	1.40Å	1.44Å	Aromatic
C13	C11	sing	1.47Å	1.52Å
C13	C14	sing	1.46Å	1.44Å	Aromatic
C11	O12	doub	1.22Å	1.24Å
C11	N10	sing	1.35Å	1.33Å
N10	C7	sing	1.46Å	1.45Å
N10	H10	sing	0.97Å	1.02Å
C7	B	sing	1.57Å	1.59Å
C7	H71	sing	1.09Å	1.12Å
C7	H72	sing	1.09Å	1.12Å
B	O1	sing	1.42Å	1.50Å
B	O2	sing	1.42Å	1.49Å
O1	HO1	sing	0.97Å	0.95Å
O2	HO2	sing	0.97Å	0.95Å
C14	C16	doub	1.41Å	1.46Å	Aromatic
C14	C17	sing	1.40Å	1.45Å	Aromatic
C16	C18	sing	1.40Å	1.42Å	Aromatic
C16	C19	sing	1.41Å	1.43Å	Aromatic
C18	C20	doub	1.36Å	1.44Å	Aromatic
C18	H18	sing	1.08Å	1.10Å
C20	C22	sing	1.39Å	1.43Å	Aromatic
C20	H20	sing	1.08Å	1.10Å
C22	C17	doub	1.36Å	1.44Å	Aromatic
C22	H22	sing	1.08Å	1.10Å
C17	H17	sing	1.08Å	1.10Å
C19	C21	doub	1.36Å	1.43Å	Aromatic
C19	H19	sing	1.08Å	1.10Å
C21	H21	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C24	C25	H251	110.8°	109.4°
C24	C25	H252	113.4°	109.5°
C24	C25	H253	110.8°	109.4°
C25	C24	O23	113.4°	109.5°
C25	C24	H241	110.8°	109.5°
C25	C24	H242	110.8°	109.4°
H251	C25	H252	110.8°	109.5°
H251	C25	H253	99.5°	109.5°
H252	C25	H253	110.8°	109.4°
O23	C24	H241	110.8°	109.5°
O23	C24	H242	110.8°	109.5°
C24	O23	C15	122.2°	106.8°
H241	C24	H242	99.5°	109.5°
O23	C15	C13	120.7°	119.8°
O23	C15	C21	119.3°	119.8°
C13	C15	C21	120.0°	120.4°
C15	C13	C11	119.9°	120.7°
C15	C13	C14	119.5°	118.5°
C15	C21	C19	120.4°	121.8°
C15	C21	H21	120.1°	119.1°
C11	C13	C14	120.6°	120.8°
C13	C11	O12	121.7°	120.0°
C13	C11	N10	113.8°	120.0°
C13	C14	C16	119.5°	119.0°
C13	C14	C17	121.1°	121.4°
O12	C11	N10	124.5°	119.9°
C11	N10	C7	125.4°	120.1°
C11	N10	H10	112.3°	119.9°
C7	N10	H10	122.3°	120.0°
N10	C7	B	99.2°	109.5°
N10	C7	H71	116.1°	109.5°
N10	C7	H72	116.1°	109.5°
B	C7	H71	116.2°	109.5°
B	C7	H72	116.2°	109.5°
C7	B	O1	111.2°	120.0°
C7	B	O2	111.7°	120.0°
H71	C7	H72	94.3°	109.5°
O1	B	O2	108.7°	120.0°
B	O1	HO1	111.1°	106.8°
B	O2	HO2	111.7°	106.8°
C16	C14	C17	119.4°	119.6°
C14	C16	C18	119.9°	119.3°
C14	C16	C19	120.2°	119.5°
C14	C17	C22	119.9°	119.6°
C14	C17	H17	120.4°	120.2°
C18	C16	C19	119.8°	121.2°
C16	C18	C20	120.3°	119.6°
C16	C18	H18	119.1°	120.3°
C16	C19	C21	120.4°	120.8°
C16	C19	H19	119.8°	119.6°
C20	C18	H18	120.6°	120.1°
C18	C20	C22	120.3°	121.0°
C18	C20	H20	120.2°	119.5°
C22	C20	H20	119.5°	119.5°
C20	C22	C17	120.2°	120.9°
C20	C22	H22	119.8°	119.5°
C17	C22	H22	120.1°	119.6°
C22	C17	H17	119.7°	120.2°
C21	C19	H19	119.8°	119.6°
C19	C21	H21	119.5°	119.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C24	C25	H251	H252	126.7°	120.1°
C24	C25	H251	H253	116.7°	119.9°
C24	C25	H252	H253	125.3°	120.0°
C25	C24	O23	H241	125.3°	120.0°
C25	C24	O23	H242	125.2°	120.0°
C25	C24	H241	H242	116.6°	120.0°
C25	C24	O23	C15	36.3°	180.0°
H251	C25	H252	H253	109.5°	120.0°
H251	C25	C24	O23	54.7°	180.0°
H251	C25	C24	H241	70.5°	60.0°
H251	C25	C24	H242	180.0°	60.0°
H252	C25	C24	O23	180.0°	59.9°
H252	C25	C24	H241	54.7°	60.1°
H252	C25	C24	H242	54.8°	179.9°
H253	C25	C24	O23	54.7°	60.0°
H253	C25	C24	H241	NaN°	180.0°
H253	C25	C24	H242	70.5°	59.9°
O23	C24	H241	H242	116.7°	120.0°
C24	O23	C15	C13	75.8°	179.7°
C24	O23	C15	C21	104.3°	0.0°
H241	C24	O23	C15	161.6°	60.0°
H242	C24	O23	C15	88.9°	60.0°
O23	C15	C13	C21	179.9°	179.7°
O23	C15	C13	C11	0.4°	0.0°
O23	C15	C13	C14	179.9°	179.7°
O23	C15	C21	C19	180.0°	180.0°
O23	C15	C21	H21	0.0°	0.1°
C15	C13	C11	C14	179.6°	179.7°
C15	C13	C11	O12	114.7°	90.3°
C15	C13	C11	N10	65.3°	89.7°
C15	C13	C14	C16	0.1°	0.5°
C15	C13	C14	C17	180.0°	179.7°
C13	C15	C21	C19	0.1°	0.3°
C13	C15	C21	H21	179.9°	179.8°
C21	C15	C13	C11	179.5°	179.8°
C21	C15	C13	C14	0.0°	0.5°
C15	C21	C19	C16	0.0°	0.0°
C15	C21	C19	H21	180.0°	179.9°
C15	C21	C19	H19	180.0°	179.9°
C13	C11	O12	N10	180.0°	179.9°
C13	C11	N10	C7	179.8°	180.0°
C13	C11	N10	H10	0.2°	0.1°
C11	C13	C14	C16	179.6°	179.8°
C11	C13	C14	C17	0.4°	0.0°
C14	C13	C11	O12	65.8°	90.0°
C14	C13	C11	N10	114.2°	90.0°
C13	C14	C16	C17	180.0°	179.8°
C13	C14	C16	C18	179.9°	179.8°
C13	C14	C16	C19	0.1°	0.3°
C13	C14	C17	C22	179.9°	179.8°
C13	C14	C17	H17	0.2°	0.2°
O12	C11	N10	C7	0.2°	0.1°
O12	C11	N10	H10	179.8°	180.0°
C11	N10	C7	H10	180.0°	179.9°
C11	N10	C7	B	179.4°	90.0°
C11	N10	C7	H71	55.4°	150.0°
C11	N10	C7	H72	54.1°	30.1°
N10	C7	B	H71	125.2°	120.0°
N10	C7	B	H72	125.2°	120.0°
N10	C7	H71	H72	121.9°	120.0°
N10	C7	B	O1	59.3°	180.0°
N10	C7	B	O2	62.3°	0.0°
H10	N10	C7	B	0.6°	90.0°
H10	N10	C7	H71	124.7°	30.0°
H10	N10	C7	H72	125.9°	150.0°
B	C7	H71	H72	122.0°	120.1°
C7	B	O1	O2	123.3°	180.0°
C7	B	O1	HO1	180.0°	180.0°
C7	B	O2	HO2	180.0°	0.0°
H71	C7	B	O1	175.5°	60.0°
H71	C7	B	O2	63.0°	120.0°
H72	C7	B	O1	66.0°	60.0°
H72	C7	B	O2	172.5°	120.0°
O1	B	O2	HO2	57.1°	180.0°
O2	B	O1	HO1	56.8°	0.0°
C14	C16	C18	C19	179.9°	179.9°
C14	C16	C18	C20	0.1°	0.1°
C14	C16	C18	H18	179.9°	179.9°
C16	C14	C17	C22	0.1°	0.0°
C16	C14	C17	H17	179.9°	180.0°
C14	C16	C19	C21	0.1°	0.0°
C14	C16	C19	H19	179.9°	179.9°
C17	C14	C16	C18	0.0°	0.0°
C17	C14	C16	C19	179.9°	180.0°
C14	C17	C22	C20	0.1°	0.0°
C14	C17	C22	H17	180.0°	180.0°
C14	C17	C22	H22	179.9°	179.9°
C16	C18	C20	H18	180.0°	180.0°
C16	C18	C20	C22	0.2°	0.1°
C16	C18	C20	H20	179.8°	180.0°
C18	C16	C19	C21	180.0°	179.9°
C18	C16	C19	H19	0.0°	0.0°
C19	C16	C18	C20	180.0°	180.0°
C19	C16	C18	H18	0.1°	0.0°
C16	C19	C21	H19	180.0°	179.9°
C16	C19	C21	H21	180.0°	179.9°
C18	C20	C22	H20	180.0°	179.9°
C18	C20	C22	C17	0.1°	0.1°
C18	C20	C22	H22	179.9°	179.9°
H18	C18	C20	C22	179.8°	179.9°
H18	C18	C20	H20	0.2°	0.0°
C20	C22	C17	H22	180.0°	180.0°
C20	C22	C17	H17	179.9°	180.0°
H20	C20	C22	C17	179.9°	179.9°
H20	C20	C22	H22	0.1°	0.0°
H22	C22	C17	H17	0.1°	0.0°
H19	C19	C21	H21	0.0°	0.0°

Definition date:	2003-02-24
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1NY0