EV2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N12	C10	sing	1.39Å	1.41Å
C10	N8	doub	1.32Å	1.39Å	Aromatic
C10	C9	sing	1.42Å	1.40Å	Aromatic
N8	C6	sing	1.34Å	1.38Å	Aromatic
C6	C4	doub	1.40Å	1.38Å	Aromatic
C6	C5	sing	1.42Å	1.40Å	Aromatic
C4	C2	sing	1.36Å	1.39Å	Aromatic
C2	C1	doub	1.39Å	1.38Å	Aromatic
C9	N7	doub	1.32Å	1.40Å	Aromatic
C9	N11	sing	1.39Å	1.42Å
N7	C5	sing	1.34Å	1.39Å	Aromatic
C5	C3	doub	1.40Å	1.39Å	Aromatic
C3	C1	sing	1.36Å	1.40Å	Aromatic
N11	C16	sing	1.48Å	1.47Å
N11	C15	sing	1.49Å	1.49Å
C16	C14	sing	1.54Å	1.52Å
C14	C13	sing	1.55Å	1.50Å
C13	C15	sing	1.55Å	1.52Å
N12	HN12	sing	0.97Å	1.00Å
N12	HN1A	sing	0.97Å	1.00Å
C4	H4	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C1	H1	sing	1.08Å	1.08Å
C16	H16	sing	1.09Å	1.10Å
C16	H16A	sing	1.09Å	1.10Å
C14	H14	sing	1.09Å	1.10Å
C14	H14A	sing	1.09Å	1.10Å
C13	H13	sing	1.09Å	1.10Å
C13	H13A	sing	1.09Å	1.10Å
C15	H15	sing	1.09Å	1.10Å
C15	H15A	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N12	C10	N8	116.9°	119.8°
N12	C10	C9	123.1°	119.8°
C10	N12	HN12	109.5°	120.0°
C10	N12	HN1A	109.5°	120.0°
N8	C10	C9	120.0°	120.4°
C10	N8	C6	120.3°	119.8°
C10	C9	N7	119.0°	120.4°
C10	C9	N11	124.0°	119.8°
N8	C6	C4	120.0°	120.9°
N8	C6	C5	120.3°	119.8°
C4	C6	C5	119.7°	119.4°
C6	C4	C2	120.4°	119.8°
C6	C4	H4	119.8°	120.1°
C6	C5	N7	119.4°	119.8°
C6	C5	C3	119.7°	119.3°
C4	C2	C1	120.2°	120.9°
C2	C4	H4	119.8°	120.2°
C4	C2	H2	119.9°	119.6°
C2	C1	C3	119.5°	120.9°
C1	C2	H2	119.9°	119.5°
C2	C1	H1	120.2°	119.5°
N7	C9	N11	116.9°	119.8°
C9	N7	C5	120.9°	119.8°
C9	N11	C16	125.2°	111.0°
C9	N11	C15	124.5°	111.0°
N7	C5	C3	120.9°	120.9°
C5	C3	C1	120.3°	119.8°
C5	C3	H3	119.8°	120.1°
C1	C3	H3	119.8°	120.1°
C3	C1	H1	120.2°	119.6°
C16	N11	C15	105.4°	105.8°
N11	C16	C14	105.3°	107.1°
N11	C16	H16	110.9°	109.9°
N11	C16	H16A	111.7°	109.9°
N11	C15	C13	107.4°	103.3°
N11	C15	H15	110.2°	110.7°
N11	C15	H15A	110.6°	110.7°
C16	C14	C13	105.8°	105.1°
C14	C16	H16	110.9°	109.9°
C14	C16	H16A	111.7°	109.9°
C16	C14	H14	110.7°	110.3°
C16	C14	H14A	111.5°	110.3°
C14	C13	C15	105.6°	102.9°
C13	C14	H14	110.7°	110.3°
C13	C14	H14A	111.5°	110.3°
C14	C13	H13	110.8°	110.7°
C14	C13	H13A	111.6°	110.7°
C15	C13	H13	110.8°	110.8°
C15	C13	H13A	111.6°	110.7°
C13	C15	H15	110.1°	110.6°
C13	C15	H15A	110.6°	110.6°
HN12	N12	HN1A	109.4°	120.0°
H16	C16	H16A	106.4°	110.1°
H14	C14	H14A	106.7°	110.4°
H13	C13	H13A	106.5°	110.8°
H15	C15	H15A	107.9°	110.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N12	C10	N8	C9	179.9°	179.6°
N12	C10	N8	C6	180.0°	180.0°
N12	C10	C9	N7	179.7°	180.0°
N12	C10	C9	N11	0.8°	0.1°
C10	N12	HN12	HN1A	120.0°	179.7°
C10	N8	C6	C4	179.9°	180.0°
C10	N8	C6	C5	0.1°	0.0°
N8	C10	C9	N7	0.4°	0.3°
N8	C10	C9	N11	179.3°	179.7°
N8	C10	N12	HN12	48.7°	5.7°
N8	C10	N12	HN1A	168.7°	174.0°
C9	C10	N8	C6	0.1°	0.3°
C10	C9	N7	N11	179.0°	180.0°
C10	C9	N7	C5	0.5°	0.0°
C10	C9	N11	C16	85.5°	119.4°
C10	C9	N11	C15	65.8°	123.2°
C9	C10	N12	HN12	131.1°	174.0°
C9	C10	N12	HN1A	11.1°	6.3°
N8	C6	C4	C5	179.9°	180.0°
N8	C6	C4	C2	180.0°	180.0°
N8	C6	C5	N7	0.0°	0.2°
N8	C6	C5	C3	180.0°	180.0°
N8	C6	C4	H4	0.1°	0.0°
C6	C4	C2	H4	180.0°	180.0°
C6	C4	C2	C1	0.1°	0.1°
C4	C6	C5	N7	179.8°	179.7°
C4	C6	C5	C3	0.1°	0.0°
C6	C4	C2	H2	179.9°	180.0°
C5	C6	C4	C2	0.2°	0.0°
C6	C5	N7	C9	0.3°	0.2°
C6	C5	N7	C3	179.9°	179.7°
C6	C5	C3	C1	0.1°	0.1°
C5	C6	C4	H4	179.8°	180.0°
C6	C5	C3	H3	179.9°	180.0°
C4	C2	C1	H2	180.0°	179.9°
C4	C2	C1	C3	0.1°	0.1°
C4	C2	C1	H1	179.9°	180.0°
C2	C1	C3	C5	0.2°	0.1°
C2	C1	C3	H1	180.0°	179.9°
C1	C2	C4	H4	179.9°	180.0°
C2	C1	C3	H3	179.8°	180.0°
C9	N7	C5	C3	179.8°	180.0°
N7	C9	N11	C16	95.6°	60.6°
N7	C9	N11	C15	113.1°	56.8°
N11	C9	N7	C5	179.5°	180.0°
C9	N11	C16	C15	155.7°	120.5°
C9	N11	C16	C14	171.5°	145.9°
C9	N11	C15	C13	179.9°	159.7°
C9	N11	C16	H16	68.5°	26.5°
C9	N11	C16	H16A	50.0°	94.8°
C9	N11	C15	H15	59.9°	81.8°
C9	N11	C15	H15A	59.3°	41.3°
N7	C5	C3	C1	180.0°	179.7°
N7	C5	C3	H3	0.0°	0.3°
C5	C3	C1	H3	180.0°	179.9°
C5	C3	C1	H1	179.8°	180.0°
C3	C1	C2	H2	179.9°	180.0°
N11	C16	C14	H16	120.0°	119.4°
N11	C16	C14	H16A	121.5°	119.3°
N11	C16	C14	C13	29.2°	1.3°
C16	N11	C15	C13	24.1°	39.2°
N11	C16	H16	H16A	121.7°	121.1°
N11	C16	C14	H14	149.2°	120.1°
N11	C16	C14	H14A	92.2°	117.7°
C16	N11	C15	H15	144.1°	157.6°
C16	N11	C15	H15A	96.7°	79.3°
C15	N11	C16	C14	32.7°	25.3°
N11	C15	C13	C14	5.8°	37.4°
N11	C15	C13	H15	120.0°	118.5°
N11	C15	C13	H15A	120.8°	118.5°
C15	N11	C16	H16	87.3°	94.1°
C15	N11	C16	H16A	154.3°	144.7°
N11	C15	C13	H13	125.8°	155.8°
N11	C15	C13	H13A	115.6°	80.9°
N11	C15	H15	H15A	120.9°	123.2°
C16	C14	C13	H14	120.0°	118.8°
C16	C14	C13	H14A	121.4°	118.9°
C16	C14	C13	C15	14.0°	21.9°
C14	C16	H16	H16A	121.7°	121.2°
C16	C14	H14	H14A	121.5°	122.1°
C16	C14	C13	H13	106.0°	140.3°
C16	C14	C13	H13A	135.5°	96.4°
C14	C13	C15	H13	120.0°	118.4°
C14	C13	C15	H13A	121.5°	118.3°
C13	C14	C16	H16	90.8°	118.1°
C13	C14	C16	H16A	150.7°	120.6°
C13	C14	H14	H14A	121.5°	122.2°
C14	C13	H13	H13A	121.6°	123.2°
C14	C13	C15	H15	125.8°	155.9°
C14	C13	C15	H15A	115.0°	81.1°
C15	C13	C14	H14	134.0°	96.9°
C15	C13	C14	H14A	107.4°	140.8°
C15	C13	H13	H13A	121.5°	123.3°
C13	C15	H15	H15A	120.8°	123.0°
H4	C4	C2	H2	0.1°	0.1°
H2	C2	C1	H1	0.1°	0.1°
H3	C3	C1	H1	0.2°	0.1°
H16	C16	C14	H14	29.2°	0.7°
H16	C16	C14	H14A	147.8°	122.9°
H16A	C16	C14	H14	89.3°	120.6°
H16A	C16	C14	H14A	29.3°	1.6°
H14	C14	C13	H13	14.0°	21.5°
H14	C14	C13	H13A	104.6°	144.7°
H14A	C14	C13	H13	132.6°	100.7°
H14A	C14	C13	H13A	14.1°	22.5°
H13	C13	C15	H15	114.1°	85.7°
H13	C13	C15	H15A	5.0°	37.3°
H13A	C13	C15	H15	4.4°	37.6°
H13A	C13	C15	H15A	123.5°	160.6°

Definition date:	2009-06-18
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ
Derived from:	3HW1