09P

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C3	sing	1.54Å	1.54Å
C2	N1	sing	1.44Å	1.48Å
C3	C4	sing	1.54Å	1.54Å
N1	C1	sing	1.48Å	1.48Å
C4	N2	sing	1.44Å	1.47Å
C1	C5	sing	1.46Å	1.54Å
C11	C12	sing	1.53Å	1.52Å
C11	O1	sing	1.43Å	1.43Å
N2	C5	sing	1.48Å	1.48Å
N2	C9	sing	1.40Å	1.35Å
C8	C9	doub	1.39Å	1.41Å	Aromatic
C8	C7	sing	1.39Å	1.42Å	Aromatic
O1	C7	sing	1.36Å	1.39Å
C9	C10	sing	1.39Å	1.41Å	Aromatic
C7	C6	doub	1.39Å	1.40Å	Aromatic
C10	N3	doub	1.32Å	1.35Å	Aromatic
C6	N3	sing	1.32Å	1.34Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
N1	H3	sing	1.01Å	1.00Å
C2	H5	sing	1.09Å	1.10Å
C2	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C3	H8	sing	1.09Å	1.10Å
C4	H9	sing	1.09Å	1.10Å
C4	H10	sing	1.09Å	1.10Å
C5	H11	sing	1.09Å	1.10Å
C5	H12	sing	1.09Å	1.10Å
C6	H13	sing	1.08Å	1.08Å
C8	H14	sing	1.08Å	1.08Å
C10	H15	sing	1.08Å	1.08Å
C11	H16	sing	1.09Å	1.10Å
C11	H17	sing	1.09Å	1.10Å
C12	H18	sing	1.09Å	1.10Å
C12	H19	sing	1.09Å	1.10Å
C12	H20	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C2	N1	112.1°	112.6°
C2	C3	C4	113.8°	111.7°
C3	C2	H5	108.6°	108.9°
C3	C2	H6	108.6°	108.8°
C2	C3	H7	108.1°	109.0°
C2	C3	H8	108.1°	109.0°
C2	N1	C1	118.4°	110.0°
C2	N1	H3	106.6°	111.0°
N1	C2	H5	108.6°	108.9°
N1	C2	H6	108.6°	108.9°
C3	C4	N2	110.0°	112.6°
C4	C3	H7	108.0°	109.0°
C4	C3	H8	108.1°	109.0°
C3	C4	H9	109.3°	108.8°
C3	C4	H10	109.3°	108.8°
N1	C1	C5	113.4°	112.2°
N1	C1	H1	108.2°	108.9°
N1	C1	H2	108.2°	108.9°
C1	N1	H3	106.6°	111.0°
C4	N2	C5	114.2°	109.9°
C4	N2	C9	122.7°	111.0°
N2	C4	H9	109.3°	108.9°
N2	C4	H10	109.3°	108.9°
C1	C5	N2	115.8°	112.1°
C5	C1	H1	108.2°	109.0°
C5	C1	H2	108.2°	108.9°
C1	C5	H11	107.4°	108.9°
C1	C5	H12	107.4°	109.0°
C12	C11	O1	108.2°	109.5°
C12	C11	H16	109.9°	109.5°
C12	C11	H17	109.9°	109.5°
C11	C12	H18	109.5°	109.4°
C11	C12	H19	109.5°	109.4°
C11	C12	H20	109.5°	109.5°
C11	O1	C7	118.5°	117.0°
O1	C11	H16	109.9°	109.4°
O1	C11	H17	109.9°	109.5°
C5	N2	C9	123.2°	111.0°
N2	C5	H11	107.4°	108.9°
N2	C5	H12	107.4°	108.9°
N2	C9	C8	121.3°	120.5°
N2	C9	C10	122.1°	120.4°
C9	C8	C7	120.2°	118.3°
C8	C9	C10	116.7°	119.1°
C9	C8	H14	119.9°	120.8°
C8	C7	O1	124.8°	120.4°
C8	C7	C6	117.0°	119.1°
C7	C8	H14	119.9°	120.8°
O1	C7	C6	118.1°	120.4°
C9	C10	N3	123.9°	120.7°
C9	C10	H15	118.1°	119.7°
C7	C6	N3	123.9°	120.9°
C7	C6	H13	118.0°	119.6°
C10	N3	C6	118.3°	121.9°
N3	C10	H15	118.1°	119.6°
N3	C6	H13	118.0°	119.6°
H1	C1	H2	110.7°	108.9°
H5	C2	H6	110.3°	108.7°
H7	C3	H8	110.8°	109.0°
H9	C4	H10	109.7°	108.7°
H11	C5	H12	111.5°	108.9°
H16	C11	H17	109.0°	109.5°
H18	C12	H19	109.5°	109.5°
H18	C12	H20	109.5°	109.5°
H19	C12	H20	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C2	N1	H5	120.0°	120.9°
C3	C2	N1	H6	120.0°	120.7°
C2	C3	C4	H7	120.0°	120.5°
C2	C3	C4	H8	120.0°	120.6°
C3	C2	N1	C1	73.3°	94.3°
C2	C3	C4	N2	75.4°	41.1°
C3	C2	N1	H3	166.7°	142.5°
C3	C2	H5	H6	118.9°	118.4°
C2	C3	H7	H8	118.3°	118.9°
C2	C3	C4	H9	164.7°	79.7°
C2	C3	C4	H10	44.6°	161.9°
N1	C2	C3	C4	53.3°	41.0°
C2	N1	C1	H3	120.0°	123.2°
C2	N1	C1	C5	86.1°	80.4°
C2	N1	C1	H1	33.9°	40.3°
C2	N1	C1	H2	153.9°	159.0°
N1	C2	H5	H6	119.0°	118.5°
N1	C2	C3	H7	66.7°	79.5°
N1	C2	C3	H8	173.3°	161.6°
C3	C4	N2	H9	120.0°	120.8°
C3	C4	N2	H10	120.0°	120.8°
C3	C4	N2	C5	94.7°	94.4°
C3	C4	N2	C9	85.3°	142.5°
C4	C3	C2	H5	66.7°	161.9°
C4	C3	C2	H6	173.3°	79.8°
C4	C3	H7	H8	118.2°	118.9°
C3	C4	H9	H10	119.8°	118.4°
N1	C1	C5	H1	120.0°	120.7°
N1	C1	C5	H2	120.0°	120.6°
N1	C1	C5	N2	32.0°	60.7°
N1	C1	H1	H2	118.4°	118.6°
C1	N1	C2	H5	46.7°	144.8°
C1	N1	C2	H6	166.7°	26.4°
N1	C1	C5	H11	152.0°	178.7°
N1	C1	C5	H12	88.0°	60.0°
C4	N2	C5	C1	46.1°	80.4°
C4	N2	C5	C9	179.9°	123.2°
C4	N2	C9	C8	9.1°	112.7°
C4	N2	C9	C10	170.8°	67.3°
N2	C4	C3	H7	44.6°	161.6°
N2	C4	C3	H8	164.6°	79.5°
N2	C4	H9	H10	119.8°	118.5°
C4	N2	C5	H11	73.8°	159.0°
C4	N2	C5	H12	166.1°	40.3°
C1	C5	N2	H11	120.0°	120.6°
C1	C5	N2	H12	120.0°	120.7°
C1	C5	N2	C9	133.9°	156.5°
C5	C1	H1	H2	118.4°	118.7°
C5	C1	N1	H3	153.9°	156.4°
C1	C5	H11	H12	117.4°	118.7°
C12	C11	O1	H16	120.0°	120.0°
C12	C11	O1	H17	120.0°	120.0°
C12	C11	O1	C7	129.6°	180.0°
C12	C11	H16	H17	120.5°	120.0°
C11	C12	H18	H19	120.0°	120.0°
C11	C12	H18	H20	120.0°	120.0°
C11	C12	H19	H20	120.0°	120.0°
C11	O1	C7	C8	12.7°	179.9°
C11	O1	C7	C6	166.4°	0.0°
O1	C11	H16	H17	120.5°	120.0°
O1	C11	C12	H18	180.0°	60.0°
O1	C11	C12	H19	60.0°	180.0°
O1	C11	C12	H20	60.0°	60.0°
C5	N2	C9	C8	170.9°	9.9°
C5	N2	C9	C10	9.1°	170.1°
N2	C5	C1	H1	88.0°	60.0°
N2	C5	C1	H2	152.0°	178.7°
C5	N2	C4	H9	145.3°	26.4°
C5	N2	C4	H10	25.3°	144.8°
N2	C5	H11	H12	117.4°	118.7°
N2	C9	C8	C10	180.0°	180.0°
N2	C9	C8	C7	179.8°	180.0°
N2	C9	C10	N3	179.9°	180.0°
C9	N2	C4	H9	34.6°	96.7°
C9	N2	C4	H10	154.7°	21.7°
C9	N2	C5	H11	106.1°	35.8°
C9	N2	C5	H12	13.9°	82.8°
N2	C9	C8	H14	0.2°	0.0°
N2	C9	C10	H15	0.1°	0.0°
C9	C8	C7	H14	180.0°	179.9°
C9	C8	C7	O1	179.2°	180.0°
C9	C8	C7	C6	0.2°	0.0°
C8	C9	C10	N3	0.2°	0.0°
C8	C9	C10	H15	179.9°	180.0°
C8	C7	O1	C6	179.0°	179.9°
C7	C8	C9	C10	0.2°	0.0°
C8	C7	C6	N3	0.1°	0.0°
C8	C7	C6	H13	179.9°	179.8°
O1	C7	C6	N3	179.0°	180.0°
O1	C7	C6	H13	1.0°	0.3°
O1	C7	C8	H14	0.8°	0.1°
C7	O1	C11	H16	9.6°	60.0°
C7	O1	C11	H17	110.4°	60.0°
C9	C10	N3	H15	180.0°	180.0°
C9	C10	N3	C6	0.4°	0.0°
C10	C9	C8	H14	179.9°	180.0°
C7	C6	N3	C10	0.4°	0.0°
C7	C6	N3	H13	180.0°	179.8°
C6	C7	C8	H14	179.8°	180.0°
C10	N3	C6	H13	179.6°	179.8°
C6	N3	C10	H15	179.6°	180.0°
H1	C1	N1	H3	86.1°	82.9°
H1	C1	C5	H11	32.0°	60.6°
H1	C1	C5	H12	152.0°	179.3°
H2	C1	N1	H3	33.9°	35.7°
H2	C1	C5	H11	88.0°	58.1°
H2	C1	C5	H12	32.0°	60.6°
H3	N1	C2	H5	73.3°	21.6°
H3	N1	C2	H6	46.7°	96.8°
H5	C2	C3	H7	173.3°	41.4°
H5	C2	C3	H8	53.3°	77.5°
H6	C2	C3	H7	53.3°	159.7°
H6	C2	C3	H8	66.7°	40.8°
H7	C3	C4	H9	75.3°	40.8°
H7	C3	C4	H10	164.6°	77.5°
H8	C3	C4	H9	44.6°	159.7°
H8	C3	C4	H10	75.4°	41.3°
H16	C11	C12	H18	60.0°	60.0°
H16	C11	C12	H19	60.0°	60.0°
H16	C11	C12	H20	180.0°	180.0°
H17	C11	C12	H18	60.0°	180.0°
H17	C11	C12	H19	180.0°	60.0°
H17	C11	C12	H20	60.1°	60.0°
H18	C12	H19	H20	120.0°	120.0°

Definition date:	2011-11-07
Last modified:	2011-12-09
Release status:	REL
Processing site:	RCSB
Derived from:	3U8K