DZE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C15	C14	sing	1.53Å	1.53Å
C15	H15	sing	1.09Å	1.10Å
C15	H15A	sing	1.09Å	1.10Å
C15	H15B	sing	1.09Å	1.10Å
C17	C14	sing	1.53Å	1.53Å
C14	C16	sing	1.53Å	1.53Å
C14	O13	sing	1.45Å	1.44Å
C16	H16	sing	1.09Å	1.10Å
C16	H16A	sing	1.09Å	1.10Å
C16	H16B	sing	1.09Å	1.10Å
C17	H17	sing	1.09Å	1.10Å
C17	H17A	sing	1.09Å	1.10Å
C17	H17B	sing	1.09Å	1.10Å
O13	C11	sing	1.35Å	1.38Å
O12	C11	doub	1.21Å	1.25Å
C11	N10	sing	1.35Å	1.33Å
N10	C4	sing	1.46Å	1.46Å
N10	HN10	sing	0.97Å	1.00Å
C4	C5	sing	1.53Å	1.53Å
C4	C2	sing	1.51Å	1.53Å
C4	H4	sing	1.09Å	1.10Å
C1	C2	sing	1.51Å	1.53Å
C2	O3	doub	1.21Å	1.23Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C1	H1B	sing	1.09Å	1.10Å
C6	C5	sing	1.51Å	1.51Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
O7	C6	doub	1.21Å	1.25Å
C6	O8	sing	1.34Å	1.43Å
O8	C9	sing	1.45Å	1.43Å
C9	H9	sing	1.09Å	1.10Å
C9	H9A	sing	1.09Å	1.10Å
C9	H9B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C14	C15	H15	109.5°	109.4°
C14	C15	H15A	109.5°	109.5°
C14	C15	H15B	109.5°	109.5°
C15	C14	C17	110.8°	109.5°
C15	C14	C16	109.3°	109.5°
C15	C14	O13	109.2°	109.5°
H15	C15	H15A	109.4°	109.4°
H15	C15	H15B	109.5°	109.4°
H15A	C15	H15B	109.5°	109.5°
C17	C14	C16	109.4°	109.5°
C17	C14	O13	110.2°	109.5°
C14	C17	H17	109.5°	109.5°
C14	C17	H17A	109.5°	109.5°
C14	C17	H17B	109.4°	109.5°
C16	C14	O13	107.9°	109.5°
C14	C16	H16	109.5°	109.5°
C14	C16	H16A	109.4°	109.5°
C14	C16	H16B	109.5°	109.5°
C14	O13	C11	113.8°	117.0°
H16	C16	H16A	109.5°	109.4°
H16	C16	H16B	109.5°	109.4°
H16A	C16	H16B	109.5°	109.5°
H17	C17	H17A	109.5°	109.4°
H17	C17	H17B	109.4°	109.5°
H17A	C17	H17B	109.5°	109.4°
O13	C11	O12	119.6°	120.0°
O13	C11	N10	118.0°	120.0°
O12	C11	N10	122.4°	120.0°
C11	N10	C4	122.3°	120.0°
C11	N10	HN10	118.8°	120.0°
C4	N10	HN10	118.8°	120.0°
N10	C4	C5	110.0°	109.5°
N10	C4	C2	114.8°	109.5°
N10	C4	H4	105.2°	109.5°
C5	C4	C2	108.9°	109.5°
C5	C4	H4	111.5°	109.5°
C4	C5	C6	112.6°	109.4°
C4	C5	H5	108.5°	109.5°
C4	C5	H5A	107.8°	109.4°
C2	C4	H4	106.4°	109.4°
C4	C2	C1	112.6°	120.0°
C4	C2	O3	125.8°	120.0°
C1	C2	O3	121.6°	120.0°
C2	C1	H1	109.5°	109.5°
C2	C1	H1A	109.5°	109.4°
C2	C1	H1B	109.4°	109.5°
H1	C1	H1A	109.4°	109.5°
H1	C1	H1B	109.5°	109.5°
H1A	C1	H1B	109.5°	109.5°
C6	C5	H5	108.4°	109.5°
C6	C5	H5A	107.7°	109.5°
C5	C6	O7	114.5°	120.0°
C5	C6	O8	114.2°	120.0°
H5	C5	H5A	111.9°	109.5°
O7	C6	O8	119.9°	120.0°
C6	O8	C9	120.8°	117.0°
O8	C9	H9	109.5°	109.5°
O8	C9	H9A	109.5°	109.4°
O8	C9	H9B	109.5°	109.5°
H9	C9	H9A	109.4°	109.5°
H9	C9	H9B	109.4°	109.5°
H9A	C9	H9B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C14	C15	H15	H15A	120.0°	120.0°
C14	C15	H15	H15B	120.0°	120.0°
C14	C15	H15A	H15B	120.0°	120.1°
C15	C14	C17	C16	120.6°	120.0°
C15	C14	C17	O13	121.0°	120.0°
C15	C14	C16	O13	118.6°	120.0°
C15	C14	C16	H16	62.1°	60.0°
C15	C14	C16	H16A	57.9°	180.0°
C15	C14	C16	H16B	177.9°	60.0°
C15	C14	C17	H17	165.0°	60.0°
C15	C14	C17	H17A	45.0°	180.0°
C15	C14	C17	H17B	75.0°	60.0°
C15	C14	O13	C11	59.8°	60.0°
H15	C15	H15A	H15B	120.0°	120.0°
H15	C15	C14	C17	32.8°	180.0°
H15	C15	C14	C16	87.8°	60.0°
H15	C15	C14	O13	154.4°	60.0°
H15A	C15	C14	C17	87.2°	60.0°
H15A	C15	C14	C16	152.2°	180.0°
H15A	C15	C14	O13	34.4°	60.0°
H15B	C15	C14	C17	152.8°	60.1°
H15B	C15	C14	C16	32.1°	60.0°
H15B	C15	C14	O13	85.6°	180.0°
C17	C14	C16	O13	119.9°	120.0°
C17	C14	C16	H16	59.4°	60.0°
C17	C14	C16	H16A	179.4°	59.9°
C17	C14	C16	H16B	60.6°	180.0°
C14	C17	H17	H17A	120.0°	120.0°
C14	C17	H17	H17B	120.0°	120.1°
C14	C17	H17A	H17B	120.0°	120.0°
C17	C14	O13	C11	62.1°	180.0°
C14	C16	H16	H16A	120.0°	120.0°
C14	C16	H16	H16B	120.0°	120.0°
C14	C16	H16A	H16B	120.0°	120.1°
C16	C14	C17	H17	74.4°	180.0°
C16	C14	C17	H17A	165.6°	60.0°
C16	C14	C17	H17B	45.5°	60.0°
C16	C14	O13	C11	178.5°	60.0°
O13	C14	C16	H16	179.3°	180.0°
O13	C14	C16	H16A	60.7°	60.0°
O13	C14	C16	H16B	59.3°	60.0°
O13	C14	C17	H17	44.0°	60.0°
O13	C14	C17	H17A	76.0°	60.0°
O13	C14	C17	H17B	164.0°	180.0°
C14	O13	C11	O12	0.7°	0.0°
C14	O13	C11	N10	179.5°	180.0°
H16	C16	H16A	H16B	120.0°	119.9°
H17	C17	H17A	H17B	120.0°	119.9°
O13	C11	O12	N10	179.8°	180.0°
O13	C11	N10	C4	179.7°	180.0°
O13	C11	N10	HN10	0.4°	0.1°
O12	C11	N10	C4	0.5°	0.0°
O12	C11	N10	HN10	179.5°	180.0°
C11	N10	C4	HN10	180.0°	180.0°
C11	N10	C4	C5	116.4°	155.0°
C11	N10	C4	C2	120.4°	85.0°
C11	N10	C4	H4	3.8°	35.0°
N10	C4	C5	C2	126.6°	120.0°
N10	C4	C5	H4	116.3°	120.1°
N10	C4	C2	H4	115.9°	120.0°
N10	C4	C2	C1	30.9°	165.0°
N10	C4	C2	O3	150.8°	15.0°
N10	C4	C5	C6	85.4°	65.0°
N10	C4	C5	H5	34.6°	55.0°
N10	C4	C5	H5A	155.9°	175.0°
HN10	N10	C4	C5	63.5°	25.0°
HN10	N10	C4	C2	59.6°	95.0°
HN10	N10	C4	H4	176.2°	145.1°
C5	C4	C2	H4	120.3°	120.0°
C5	C4	C2	C1	154.7°	75.0°
C5	C4	C2	O3	27.1°	105.0°
C4	C5	C6	H5	120.0°	120.0°
C4	C5	C6	H5A	118.7°	119.9°
C4	C5	H5	H5A	118.8°	120.0°
C4	C5	C6	O7	52.0°	0.1°
C4	C5	C6	O8	164.4°	180.0°
C4	C2	C1	O3	178.3°	180.0°
C4	C2	C1	H1	56.3°	90.0°
C4	C2	C1	H1A	176.3°	150.0°
C4	C2	C1	H1B	63.7°	30.1°
C2	C4	C5	C6	148.0°	175.0°
C2	C4	C5	H5	92.0°	65.0°
C2	C4	C5	H5A	29.4°	55.0°
H4	C4	C2	C1	85.0°	45.0°
H4	C4	C2	O3	93.2°	135.0°
H4	C4	C5	C6	30.9°	55.0°
H4	C4	C5	H5	150.9°	175.0°
H4	C4	C5	H5A	87.7°	64.9°
C2	C1	H1	H1A	120.0°	120.0°
C2	C1	H1	H1B	120.0°	120.1°
C2	C1	H1A	H1B	120.0°	120.0°
O3	C2	C1	H1	122.0°	90.0°
O3	C2	C1	H1A	2.0°	30.0°
O3	C2	C1	H1B	118.0°	150.0°
H1	C1	H1A	H1B	120.0°	120.0°
C6	C5	H5	H5A	118.7°	120.0°
C5	C6	O7	O8	141.4°	179.9°
C5	C6	O8	C9	59.8°	180.0°
H5	C5	C6	O7	172.0°	119.9°
H5	C5	C6	O8	44.4°	60.0°
H5A	C5	C6	O7	66.7°	120.0°
H5A	C5	C6	O8	77.0°	60.1°
O7	C6	O8	C9	81.7°	0.1°
C6	O8	C9	H9	95.2°	180.0°
C6	O8	C9	H9A	24.8°	60.0°
C6	O8	C9	H9B	144.8°	60.0°
O8	C9	H9	H9A	120.0°	120.0°
O8	C9	H9	H9B	120.0°	120.0°
O8	C9	H9A	H9B	120.0°	120.0°
H9	C9	H9A	H9B	120.0°	120.0°

Definition date:	2009-03-10
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3GJR