SBI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	F1	sing	1.35Å	1.33Å
C1	C2	doub	1.38Å	1.40Å	Aromatic
C1	C11	sing	1.38Å	1.40Å	Aromatic
C2	C3	sing	1.38Å	1.40Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
C3	C4	doub	1.40Å	1.41Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C4	O1	sing	1.35Å	1.39Å
C4	C10	sing	1.38Å	1.39Å	Aromatic
O1	C5	sing	1.42Å	1.45Å
C5	C6	sing	1.54Å	1.54Å
C5	H51	sing	1.09Å	1.11Å
C5	H52	sing	1.09Å	1.11Å
C6	C7	sing	1.53Å	1.56Å
C6	H61	sing	1.09Å	1.11Å
C6	H62	sing	1.09Å	1.11Å
C7	C9	sing	1.51Å	1.51Å
C7	N1	sing	1.47Å	1.44Å
C7	C10	sing	1.50Å	1.53Å
C9	O3	doub	1.21Å	1.21Å
C9	N2	sing	1.35Å	1.34Å
N2	C8	sing	1.34Å	1.33Å
N2	HN2	sing	0.97Å	1.02Å
C8	O2	doub	1.22Å	1.21Å
C8	N1	sing	1.35Å	1.34Å
N1	HN1	sing	0.97Å	1.02Å
C10	C11	doub	1.38Å	1.43Å	Aromatic
C11	H11	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F1	C1	C2	120.1°	120.2°
F1	C1	C11	119.9°	120.1°
C2	C1	C11	120.0°	119.7°
C1	C2	C3	119.9°	120.0°
C1	C2	H2	120.0°	120.0°
C1	C11	C10	120.5°	120.5°
C1	C11	H11	118.7°	119.7°
C3	C2	H2	120.1°	120.0°
C2	C3	C4	119.8°	120.7°
C2	C3	H3	120.1°	119.7°
C4	C3	H3	120.2°	119.7°
C3	C4	O1	116.5°	117.2°
C3	C4	C10	121.6°	119.1°
O1	C4	C10	121.9°	123.7°
C4	O1	C5	118.5°	110.9°
C4	C10	C7	121.1°	121.5°
C4	C10	C11	118.3°	120.0°
O1	C5	C6	113.3°	109.0°
O1	C5	H51	110.8°	109.5°
O1	C5	H52	110.8°	109.5°
C6	C5	H51	110.8°	109.6°
C6	C5	H52	110.8°	109.5°
C5	C6	C7	111.8°	107.2°
C5	C6	H61	111.3°	109.8°
C5	C6	H62	111.4°	109.9°
H51	C5	H52	99.6°	109.6°
C7	C6	H61	111.3°	110.0°
C7	C6	H62	111.3°	110.0°
C6	C7	C9	115.3°	110.6°
C6	C7	N1	111.0°	110.6°
C6	C7	C10	115.0°	110.0°
H61	C6	H62	99.0°	109.9°
C9	C7	N1	98.3°	104.2°
C9	C7	C10	107.4°	110.6°
C7	C9	O3	124.5°	127.3°
C7	C9	N2	109.6°	105.5°
N1	C7	C10	108.3°	110.7°
C7	N1	C8	112.6°	106.3°
C7	N1	HN1	126.8°	126.8°
C7	C10	C11	120.7°	118.5°
O3	C9	N2	125.9°	127.3°
C9	N2	C8	110.3°	111.6°
C9	N2	HN2	125.1°	124.2°
C8	N2	HN2	124.6°	124.2°
N2	C8	O2	125.9°	123.8°
N2	C8	N1	109.2°	112.4°
O2	C8	N1	124.8°	123.8°
C8	N1	HN1	120.6°	126.9°
C10	C11	H11	120.8°	119.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F1	C1	C2	C11	179.9°	179.8°
F1	C1	C2	C3	180.0°	179.8°
F1	C1	C2	H2	0.0°	0.3°
F1	C1	C11	C10	179.9°	179.7°
F1	C1	C11	H11	0.1°	0.1°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	C4	0.0°	0.0°
C1	C2	C3	H3	180.0°	179.9°
C2	C1	C11	C10	0.1°	0.4°
C2	C1	C11	H11	179.9°	179.7°
C11	C1	C2	C3	0.0°	0.4°
C11	C1	C2	H2	180.0°	179.5°
C1	C11	C10	C4	0.2°	0.1°
C1	C11	C10	C7	179.8°	179.8°
C1	C11	C10	H11	180.0°	179.8°
C2	C3	C4	H3	180.0°	179.9°
C2	C3	C4	O1	176.8°	179.2°
C2	C3	C4	C10	0.1°	0.3°
H2	C2	C3	C4	180.0°	179.9°
H2	C2	C3	H3	0.0°	0.2°
C3	C4	O1	C10	176.9°	179.5°
C3	C4	O1	C5	155.8°	153.9°
C3	C4	C10	C7	179.8°	179.4°
C3	C4	C10	C11	0.2°	0.2°
H3	C3	C4	O1	3.2°	0.7°
H3	C3	C4	C10	179.9°	179.8°
C4	O1	C5	C6	47.0°	60.4°
C4	O1	C5	H51	172.2°	179.7°
C4	O1	C5	H52	78.3°	59.5°
O1	C4	C10	C7	3.1°	1.1°
O1	C4	C10	C11	176.6°	179.3°
C10	C4	O1	C5	21.1°	26.6°
C4	C10	C7	C6	0.4°	10.4°
C4	C10	C7	C9	129.4°	112.1°
C4	C10	C7	N1	125.4°	132.9°
C4	C10	C7	C11	179.6°	179.6°
C4	C10	C11	H11	179.8°	180.0°
O1	C5	C6	H51	125.2°	119.9°
O1	C5	C6	H52	125.2°	119.8°
O1	C5	H51	H52	116.7°	120.2°
O1	C5	C6	C7	47.4°	69.3°
O1	C5	C6	H61	77.8°	50.1°
O1	C5	C6	H62	172.6°	171.2°
C6	C5	H51	H52	116.7°	120.2°
C5	C6	C7	H61	125.3°	119.4°
C5	C6	C7	H62	125.3°	119.5°
C5	C6	H61	H62	117.3°	121.1°
C5	C6	C7	C9	100.9°	81.1°
C5	C6	C7	N1	148.4°	164.0°
C5	C6	C7	C10	25.0°	41.4°
H51	C5	C6	C7	172.6°	170.8°
H51	C5	C6	H61	47.4°	69.8°
H51	C5	C6	H62	62.1°	51.3°
H52	C5	C6	C7	77.8°	50.5°
H52	C5	C6	H61	156.9°	169.9°
H52	C5	C6	H62	47.4°	69.0°
C7	C6	H61	H62	117.2°	121.2°
C6	C7	C9	N1	118.1°	118.9°
C6	C7	C9	C10	129.7°	122.1°
C6	C7	N1	C10	127.2°	122.1°
C6	C7	C9	O3	62.2°	61.0°
C6	C7	C9	N2	118.6°	118.9°
C6	C7	N1	C8	121.7°	118.9°
C6	C7	N1	HN1	58.3°	61.1°
C6	C7	C10	C11	179.9°	170.0°
H61	C6	C7	C9	133.9°	159.5°
H61	C6	C7	N1	23.2°	44.6°
H61	C6	C7	C10	100.3°	78.0°
H62	C6	C7	C9	24.4°	38.3°
H62	C6	C7	N1	86.3°	76.6°
H62	C6	C7	C10	150.2°	160.8°
C9	C7	N1	C10	111.5°	119.0°
C7	C9	O3	N2	179.2°	179.9°
C7	C9	N2	C8	0.4°	0.1°
C7	C9	N2	HN2	179.6°	179.9°
C9	C7	N1	C8	0.5°	0.0°
C9	C7	N1	HN1	179.5°	180.0°
C9	C7	C10	C11	50.3°	67.5°
N1	C7	C9	O3	179.8°	179.9°
N1	C7	C9	N2	0.5°	0.0°
C7	N1	C8	N2	0.3°	0.1°
C7	N1	C8	O2	179.9°	180.0°
C7	N1	C8	HN1	180.0°	179.9°
N1	C7	C10	C11	55.0°	47.4°
C10	C7	C9	O3	67.5°	61.1°
C10	C7	C9	N2	111.8°	119.0°
C10	C7	N1	C8	111.0°	118.9°
C10	C7	N1	HN1	68.9°	61.0°
C7	C10	C11	H11	0.2°	0.4°
O3	C9	N2	C8	179.6°	180.0°
O3	C9	N2	HN2	0.3°	0.2°
C9	N2	C8	HN2	179.9°	179.8°
C9	N2	C8	O2	179.7°	180.0°
C9	N2	C8	N1	0.0°	0.1°
N2	C8	O2	N1	179.8°	179.9°
N2	C8	N1	HN1	179.7°	180.0°
HN2	N2	C8	O2	0.3°	0.2°
HN2	N2	C8	N1	179.9°	180.0°
O2	C8	N1	HN1	0.1°	0.1°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1AH0