R7A

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C2	sing	1.53Å	1.53Å
C7	C5	sing	1.53Å	1.65Å
O1	N1	sing	1.46Å	1.29Å
N1	C2	sing	1.48Å	1.46Å
N1	C5	sing	1.48Å	1.50Å
C2	C3	sing	1.51Å	1.51Å
C2	C8	sing	1.53Å	1.53Å
C5	C4	sing	1.51Å	1.52Å
C5	C6	sing	1.53Å	1.48Å
C4	C3	doub	1.31Å	1.33Å
C4	BR4	sing	1.89Å	1.92Å
C3	CE	sing	1.51Å	1.52Å
CE	SD	sing	1.81Å	1.76Å
CE	H8	sing	1.09Å	1.10Å
CE	H9	sing	1.09Å	1.10Å
C9	H10	sing	1.09Å	1.10Å
C9	H11	sing	1.09Å	1.10Å
C9	H12	sing	1.09Å	1.10Å
C8	H13	sing	1.09Å	1.10Å
C8	H14	sing	1.09Å	1.10Å
C8	H15	sing	1.09Å	1.10Å
C6	H16	sing	1.09Å	1.10Å
C6	H17	sing	1.09Å	1.10Å
C6	H18	sing	1.09Å	1.10Å
C7	H19	sing	1.09Å	1.10Å
C7	H20	sing	1.09Å	1.10Å
C7	H21	sing	1.09Å	1.10Å
SD	S1	sing	2.05Å	31.36Å
S1	C10	sing	1.81Å	0.00Å
S1	O2	doub	1.42Å	0.00Å
S1	O3	doub	1.42Å	0.00Å
C10	H1	sing	1.09Å	0.00Å
C10	H2	sing	1.09Å	0.00Å
C10	H3	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C2	N1	111.5°	110.4°
C9	C2	C3	109.3°	110.3°
C9	C2	C8	111.1°	110.2°
C2	C9	H10	109.5°	109.5°
C2	C9	H11	109.4°	109.4°
C2	C9	H12	109.5°	109.4°
C7	C5	N1	110.7°	110.5°
C7	C5	C4	109.6°	110.3°
C7	C5	C6	110.5°	110.3°
C5	C7	H19	109.5°	109.5°
C5	C7	H20	109.5°	109.5°
C5	C7	H21	109.4°	109.5°
O1	N1	C2	122.6°	111.0°
O1	N1	C5	124.1°	110.9°
C2	N1	C5	113.3°	102.8°
N1	C2	C3	101.9°	105.3°
N1	C2	C8	111.6°	110.2°
N1	C5	C4	99.7°	105.4°
N1	C5	C6	113.5°	110.1°
C3	C2	C8	111.0°	110.3°
C2	C3	C4	111.3°	109.4°
C2	C3	CE	125.1°	125.3°
C2	C8	H13	109.5°	109.4°
C2	C8	H14	109.5°	109.5°
C2	C8	H15	109.4°	109.4°
C4	C5	C6	112.4°	110.3°
C5	C4	C3	112.3°	109.5°
C5	C4	BR4	123.5°	125.2°
C5	C6	H16	109.5°	109.4°
C5	C6	H17	109.5°	109.5°
C5	C6	H18	109.5°	109.5°
C3	C4	BR4	124.2°	125.3°
C4	C3	CE	123.6°	125.3°
C3	CE	SD	108.9°	109.5°
C3	CE	H8	109.6°	109.5°
C3	CE	H9	109.6°	109.5°
SD	CE	H8	109.6°	109.5°
SD	CE	H9	109.6°	109.5°
CE	SD	S1	113.7°	103.0°
H8	CE	H9	109.4°	109.4°
H10	C9	H11	109.5°	109.5°
H10	C9	H12	109.4°	109.5°
H11	C9	H12	109.5°	109.5°
H13	C8	H14	109.5°	109.5°
H13	C8	H15	109.5°	109.5°
H14	C8	H15	109.5°	109.5°
H16	C6	H17	109.5°	109.5°
H16	C6	H18	109.4°	109.4°
H17	C6	H18	109.5°	109.5°
H19	C7	H20	109.4°	109.4°
H19	C7	H21	109.5°	109.5°
H20	C7	H21	109.5°	109.4°
SD	S1	C10	90.0°	104.5°
SD	S1	O2	90.0°	104.3°
SD	S1	O3	90.0°	104.3°
C10	S1	O2	90.0°	110.5°
C10	S1	O3	90.0°	110.5°
S1	C10	H1	90.0°	109.5°
S1	C10	H2	90.0°	109.5°
S1	C10	H3	90.0°	109.5°
O2	S1	O3	90.0°	121.0°
H1	C10	H2	90.0°	109.5°
H1	C10	H3	90.0°	109.4°
H2	C10	H3	90.0°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C2	N1	O1	60.8°	96.0°
C9	C2	N1	C3	116.5°	119.0°
C9	C2	N1	C8	125.0°	122.0°
C9	C2	N1	C5	120.1°	145.3°
C9	C2	C3	C8	123.0°	122.0°
C9	C2	C3	C4	113.1°	136.3°
C9	C2	C3	CE	67.3°	44.0°
C2	C9	H10	H11	120.0°	120.0°
C2	C9	H10	H12	120.0°	120.0°
C2	C9	H11	H12	120.0°	120.0°
C9	C2	C8	H13	180.0°	175.0°
C9	C2	C8	H14	60.0°	65.0°
C9	C2	C8	H15	60.0°	55.0°
C7	C5	N1	O1	56.2°	96.1°
C7	C5	N1	C2	124.7°	145.3°
C7	C5	N1	C4	115.4°	119.1°
C7	C5	N1	C6	125.0°	122.0°
C7	C5	C4	C6	123.3°	122.0°
C7	C5	C4	C3	128.8°	136.0°
C7	C5	C4	BR4	51.1°	43.9°
C7	C5	C6	H16	180.0°	55.2°
C7	C5	C6	H17	60.0°	64.8°
C7	C5	C6	H18	60.0°	175.1°
C5	C7	H19	H20	120.0°	120.0°
C5	C7	H19	H21	120.0°	120.0°
C5	C7	H20	H21	120.0°	120.0°
O1	N1	C2	C5	179.1°	118.6°
O1	N1	C2	C3	177.3°	145.0°
O1	N1	C2	C8	64.1°	26.0°
O1	N1	C5	C4	171.6°	144.9°
O1	N1	C5	C6	68.7°	26.0°
N1	C2	C3	C8	119.0°	118.9°
C2	N1	C5	C4	9.4°	26.2°
C2	N1	C5	C6	110.3°	92.7°
N1	C2	C3	C4	4.9°	17.3°
N1	C2	C3	CE	174.7°	163.1°
N1	C2	C9	H10	180.0°	176.0°
N1	C2	C9	H11	60.0°	64.0°
N1	C2	C9	H12	60.0°	56.0°
N1	C2	C8	H13	54.9°	62.9°
N1	C2	C8	H14	65.2°	57.1°
N1	C2	C8	H15	174.9°	177.1°
C5	N1	C2	C3	3.6°	26.3°
C5	N1	C2	C8	115.0°	92.7°
N1	C5	C4	C6	120.5°	118.8°
N1	C5	C4	C3	12.6°	16.8°
N1	C5	C4	BR4	167.3°	163.1°
N1	C5	C6	H16	54.9°	177.3°
N1	C5	C6	H17	174.9°	57.3°
N1	C5	C6	H18	65.1°	62.7°
N1	C5	C7	H19	180.0°	57.5°
N1	C5	C7	H20	60.0°	62.5°
N1	C5	C7	H21	60.0°	177.5°
C2	C3	C4	C5	11.5°	0.3°
C2	C3	C4	CE	179.6°	179.7°
C2	C3	C4	BR4	168.4°	179.8°
C2	C3	CE	SD	105.2°	71.6°
C2	C3	CE	H8	14.7°	48.4°
C2	C3	CE	H9	134.9°	168.4°
C3	C2	C9	H10	68.1°	60.0°
C3	C2	C9	H11	171.9°	180.0°
C3	C2	C9	H12	51.8°	60.0°
C3	C2	C8	H13	58.1°	53.0°
C3	C2	C8	H14	178.1°	173.0°
C3	C2	C8	H15	61.9°	67.0°
C8	C2	C3	C4	123.9°	101.7°
C8	C2	C3	CE	55.7°	78.0°
C8	C2	C9	H10	54.8°	62.0°
C8	C2	C9	H11	65.2°	58.0°
C8	C2	C9	H12	174.8°	178.0°
C2	C8	H13	H14	120.0°	120.1°
C2	C8	H13	H15	120.0°	119.9°
C2	C8	H14	H15	120.0°	120.0°
C5	C4	C3	BR4	180.0°	179.9°
C5	C4	C3	CE	168.1°	179.9°
C4	C5	C6	H16	57.2°	66.8°
C4	C5	C6	H17	62.8°	173.2°
C4	C5	C6	H18	177.2°	53.1°
C4	C5	C7	H19	71.0°	58.5°
C4	C5	C7	H20	49.0°	178.5°
C4	C5	C7	H21	169.0°	61.5°
C6	C5	C4	C3	107.9°	102.0°
C6	C5	C4	BR4	72.2°	78.1°
C5	C6	H16	H17	120.0°	120.0°
C5	C6	H16	H18	120.0°	120.0°
C5	C6	H17	H18	120.0°	120.1°
C6	C5	C7	H19	53.4°	179.5°
C6	C5	C7	H20	173.4°	59.5°
C6	C5	C7	H21	66.6°	60.5°
C4	C3	CE	SD	74.3°	108.8°
C4	C3	CE	H8	165.7°	131.2°
C4	C3	CE	H9	45.6°	11.2°
BR4	C4	C3	CE	12.0°	0.2°
C3	CE	SD	H8	119.9°	120.0°
C3	CE	SD	H9	119.9°	120.0°
C3	CE	H8	H9	120.3°	120.0°
C3	CE	SD	S1	11.3°	75.9°
SD	CE	H8	H9	120.2°	120.0°
CE	SD	S1	C10	90.0°	73.8°
CE	SD	S1	O2	90.0°	170.1°
CE	SD	S1	O3	90.0°	42.2°
H8	CE	SD	S1	131.2°	164.0°
H9	CE	SD	S1	108.7°	44.1°
H10	C9	H11	H12	120.0°	120.0°
H13	C8	H14	H15	120.0°	120.0°
H16	C6	H17	H18	120.0°	120.0°
H19	C7	H20	H21	120.0°	119.9°
SD	S1	C10	O2	90.0°	111.7°
SD	S1	C10	O3	90.0°	111.6°
SD	S1	O2	O3	90.0°	116.8°
SD	S1	C10	H1	90.0°	60.0°
SD	S1	C10	H2	90.0°	180.0°
SD	S1	C10	H3	90.0°	60.0°
C10	S1	O2	O3	90.0°	131.5°
S1	C10	H1	H2	90.0°	120.1°
S1	C10	H1	H3	90.0°	120.0°
S1	C10	H2	H3	90.0°	120.0°
O2	S1	C10	H1	90.0°	51.7°
O2	S1	C10	H2	90.0°	68.4°
O2	S1	C10	H3	90.0°	171.7°
O3	S1	C10	H1	90.0°	171.6°
O3	S1	C10	H2	90.0°	68.3°
O3	S1	C10	H3	90.0°	51.6°
H1	C10	H2	H3	90.0°	119.9°

Definition date:	2005-07-19
Last modified:	2012-02-21
Release status:	REL
Processing site:	RCSB
Derived from:	2A4T