T2B

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C8	sing	1.36Å	1.38Å
C8	C10	doub	1.39Å	1.42Å	Aromatic
C8	C6	sing	1.39Å	1.40Å	Aromatic
C10	C12	sing	1.38Å	1.41Å	Aromatic
C6	C4	doub	1.38Å	1.40Å	Aromatic
C12	C2	doub	1.39Å	1.41Å	Aromatic
C4	C2	sing	1.39Å	1.40Å	Aromatic
C2	O2	sing	1.36Å	1.39Å
I3	C9	sing	2.10Å	2.14Å
O2	C7	sing	1.36Å	1.36Å
C7	C9	doub	1.39Å	1.47Å	Aromatic
C7	C5	sing	1.39Å	1.48Å	Aromatic
C9	C11	sing	1.38Å	1.39Å	Aromatic
I1	C5	sing	2.09Å	2.15Å
C5	C3	doub	1.38Å	1.41Å	Aromatic
C11	C1	doub	1.38Å	1.41Å	Aromatic
C3	C1	sing	1.38Å	1.43Å	Aromatic
C15	N1	sing	1.47Å	1.44Å
C15	C17	sing	1.53Å	1.54Å
C15	C13	sing	1.53Å	1.52Å
C1	C13	sing	1.51Å	1.53Å
C17	O4	sing	1.43Å	1.44Å
O4	H1	sing	0.97Å	0.95Å
C17	H2	sing	1.09Å	1.10Å
C17	H3	sing	1.09Å	1.10Å
C15	H4	sing	1.09Å	1.10Å
N1	H5	sing	1.01Å	1.00Å
N1	H6	sing	1.01Å	1.00Å
C13	H8	sing	1.09Å	1.10Å
C13	H9	sing	1.09Å	1.10Å
C11	H10	sing	1.08Å	1.08Å
C3	H11	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C10	H13	sing	1.08Å	1.08Å
O1	H14	sing	0.97Å	0.95Å
C6	H15	sing	1.08Å	1.08Å
C4	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C8	C10	122.0°	120.0°
O1	C8	C6	119.9°	120.0°
C8	O1	H14	109.5°	114.0°
C10	C8	C6	118.0°	120.0°
C8	C10	C12	120.6°	120.0°
C8	C10	H13	119.7°	120.0°
C8	C6	C4	121.0°	120.0°
C8	C6	H15	119.5°	120.0°
C10	C12	C2	120.9°	120.0°
C10	C12	H12	119.6°	120.0°
C12	C10	H13	119.7°	120.0°
C6	C4	C2	121.7°	120.0°
C4	C6	H15	119.5°	120.0°
C6	C4	H16	119.2°	119.9°
C12	C2	C4	117.8°	120.0°
C12	C2	O2	124.2°	119.9°
C2	C12	H12	119.6°	120.0°
C4	C2	O2	118.0°	120.0°
C2	C4	H16	119.1°	120.0°
C2	O2	C7	126.6°	117.9°
I3	C9	C7	116.6°	120.0°
I3	C9	C11	125.8°	120.1°
O2	C7	C9	117.7°	120.1°
O2	C7	C5	120.6°	120.0°
C9	C7	C5	121.6°	119.8°
C7	C9	C11	117.6°	120.0°
C7	C5	I1	116.0°	120.0°
C7	C5	C3	116.6°	119.9°
C9	C11	C1	121.5°	120.1°
C9	C11	H10	119.2°	119.9°
I1	C5	C3	127.4°	120.0°
C5	C3	C1	121.3°	120.1°
C5	C3	H11	119.4°	120.0°
C11	C1	C3	121.4°	120.1°
C11	C1	C13	116.9°	119.9°
C1	C11	H10	119.2°	120.0°
C3	C1	C13	121.7°	120.0°
C1	C3	H11	119.4°	120.0°
N1	C15	C17	112.9°	109.5°
N1	C15	C13	107.9°	109.5°
N1	C15	H4	108.0°	109.5°
C15	N1	H5	109.5°	111.0°
C15	N1	H6	109.5°	111.0°
C17	C15	C13	113.9°	109.4°
C15	C17	O4	112.7°	109.5°
C15	C17	H2	108.7°	109.5°
C15	C17	H3	108.7°	109.5°
C17	C15	H4	106.8°	109.5°
C15	C13	C1	102.9°	109.4°
C13	C15	H4	107.0°	109.4°
C15	C13	H8	111.1°	109.5°
C15	C13	H9	111.1°	109.4°
C1	C13	H8	111.1°	109.5°
C1	C13	H9	111.1°	109.5°
C17	O4	H1	109.5°	114.0°
O4	C17	H2	108.6°	109.4°
O4	C17	H3	108.7°	109.5°
H2	C17	H3	109.5°	109.4°
H5	N1	H6	109.4°	111.0°
H8	C13	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C8	C10	C6	177.6°	180.0°
O1	C8	C10	C12	178.5°	179.9°
O1	C8	C6	C4	178.4°	179.8°
O1	C8	C10	H13	1.5°	0.0°
O1	C8	C6	H15	1.6°	0.0°
C8	C10	C12	H13	180.0°	179.9°
C10	C8	C6	C4	0.7°	0.2°
C8	C10	C12	C2	0.2°	0.1°
C8	C10	C12	H12	179.8°	180.0°
C10	C8	O1	H14	180.0°	90.0°
C10	C8	C6	H15	179.3°	180.0°
C6	C8	C10	C12	0.9°	0.1°
C8	C6	C4	H15	180.0°	179.7°
C8	C6	C4	C2	0.1°	0.5°
C6	C8	C10	H13	179.1°	180.0°
C6	C8	O1	H14	2.4°	90.0°
C8	C6	C4	H16	180.0°	180.0°
C10	C12	C2	H12	180.0°	180.0°
C10	C12	C2	C4	0.6°	0.2°
C10	C12	C2	O2	179.8°	180.0°
C6	C4	C2	C12	0.7°	0.5°
C6	C4	C2	H16	180.0°	179.5°
C6	C4	C2	O2	180.0°	179.7°
C12	C2	C4	O2	179.3°	179.7°
C12	C2	O2	C7	2.4°	180.0°
C2	C12	C10	H13	179.8°	180.0°
C12	C2	C4	H16	179.3°	180.0°
C4	C2	O2	C7	178.3°	0.2°
C4	C2	C12	H12	179.4°	179.7°
C2	C4	C6	H15	179.9°	179.7°
C2	O2	C7	C9	97.8°	90.0°
C2	O2	C7	C5	85.4°	90.1°
O2	C2	C12	H12	0.2°	0.0°
O2	C2	C4	H16	0.0°	0.3°
I3	C9	C7	O2	2.4°	0.0°
I3	C9	C7	C11	178.4°	180.0°
I3	C9	C7	C5	179.2°	180.0°
I3	C9	C11	C1	179.2°	180.0°
I3	C9	C11	H10	0.8°	0.0°
O2	C7	C9	C5	176.8°	179.9°
O2	C7	C9	C11	179.2°	180.0°
O2	C7	C5	I1	0.4°	0.1°
O2	C7	C5	C3	179.5°	179.8°
C9	C7	C5	I1	177.1°	179.9°
C9	C7	C5	C3	2.8°	0.3°
C7	C9	C11	C1	1.0°	0.0°
C7	C9	C11	H10	179.0°	180.0°
C5	C7	C9	C11	2.4°	0.0°
C7	C5	I1	C3	180.0°	179.7°
C7	C5	C3	C1	1.9°	0.6°
C7	C5	C3	H11	178.1°	180.0°
C9	C11	C1	H10	180.0°	179.9°
C9	C11	C1	C3	0.1°	0.3°
C9	C11	C1	C13	179.6°	180.0°
I1	C5	C3	C1	178.1°	179.8°
I1	C5	C3	H11	1.9°	0.3°
C5	C3	C1	C11	0.6°	0.6°
C5	C3	C1	H11	180.0°	179.5°
C5	C3	C1	C13	180.0°	179.8°
C11	C1	C3	C13	179.4°	179.7°
C11	C1	C13	C15	76.1°	90.0°
C11	C1	C13	H8	42.8°	29.9°
C11	C1	C13	H9	164.9°	150.0°
C11	C1	C3	H11	179.4°	180.0°
C3	C1	C13	C15	103.3°	90.3°
C3	C1	C13	H8	137.7°	149.7°
C3	C1	C13	H9	15.6°	29.6°
C3	C1	C11	H10	179.9°	179.7°
N1	C15	C17	C13	123.5°	120.0°
N1	C15	C17	H4	118.5°	120.0°
N1	C15	C13	H4	116.0°	120.0°
N1	C15	C13	C1	113.8°	65.0°
N1	C15	C17	O4	58.4°	65.0°
N1	C15	C17	H2	62.0°	55.0°
N1	C15	C17	H3	178.9°	175.0°
C15	N1	H5	H6	120.0°	123.9°
N1	C15	C13	H8	5.2°	55.0°
N1	C15	C13	H9	127.3°	175.0°
C17	C15	C13	H4	117.8°	120.0°
C17	C15	C13	C1	120.0°	175.0°
C15	C17	O4	H2	120.5°	120.0°
C15	C17	O4	H3	120.5°	120.0°
C15	C17	O4	H1	180.0°	180.0°
C15	C17	H2	H3	118.5°	120.1°
C17	C15	N1	H5	180.0°	60.0°
C17	C15	N1	H6	60.0°	176.1°
C17	C15	C13	H8	121.0°	65.0°
C17	C15	C13	H9	1.1°	55.0°
C15	C13	C1	H8	119.0°	120.0°
C15	C13	C1	H9	118.9°	119.9°
C13	C15	C17	O4	65.1°	175.0°
C13	C15	C17	H2	174.4°	65.0°
C13	C15	C17	H3	55.4°	55.0°
C13	C15	N1	H5	53.2°	60.0°
C13	C15	N1	H6	173.2°	63.9°
C15	C13	H8	H9	123.0°	120.0°
C1	C13	C15	H4	2.2°	55.0°
C1	C13	H8	H9	123.1°	120.0°
C13	C1	C11	H10	0.5°	0.1°
C13	C1	C3	H11	0.0°	0.3°
O4	C17	H2	H3	118.5°	119.9°
O4	C17	C15	H4	176.9°	55.0°
H1	O4	C17	H2	59.5°	60.0°
H1	O4	C17	H3	59.5°	59.9°
H2	C17	C15	H4	56.5°	175.0°
H3	C17	C15	H4	62.6°	65.0°
H4	C15	N1	H5	62.1°	180.0°
H4	C15	N1	H6	57.8°	56.1°
H4	C15	C13	H8	121.2°	175.0°
H4	C15	C13	H9	116.7°	65.0°
H12	C12	C10	H13	0.2°	0.1°
H15	C6	C4	H16	0.1°	0.3°

Release date:	2014-02-05
Definition date:	2013-09-03
Last modified:	2014-01-31
Release status:	REL
Processing site:	PDBJ
Derived from:	3WGW