S0G

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C16	C15	sing	1.53Å	1.52Å
C16	C14	sing	1.53Å	1.51Å
C15	C12	sing	1.53Å	1.53Å
C14	C13	sing	1.53Å	1.52Å
C12	N7	sing	1.47Å	1.48Å
C13	N7	sing	1.47Å	1.47Å
O9	C6	doub	1.22Å	1.22Å
N7	C3	sing	1.41Å	1.39Å
C6	C3	sing	1.41Å	1.50Å
C6	N5	sing	1.35Å	1.37Å
C3	C1	doub	1.37Å	1.34Å
N5	C4	sing	1.34Å	1.37Å
C1	N10	sing	1.38Å	1.37Å
C1	N2	sing	1.38Å	1.39Å
C4	N2	sing	1.35Å	1.41Å
C4	O8	doub	1.22Å	1.22Å
N2	C11	sing	1.46Å	1.47Å
C16	H1	sing	1.09Å	1.10Å
C16	H2	sing	1.09Å	1.10Å
C15	H3	sing	1.09Å	1.10Å
C15	H4	sing	1.09Å	1.10Å
C14	H5	sing	1.09Å	1.10Å
C14	H6	sing	1.09Å	1.10Å
C12	H7	sing	1.09Å	1.10Å
C12	H8	sing	1.09Å	1.10Å
C13	H9	sing	1.09Å	1.10Å
C13	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
N5	H14	sing	0.97Å	1.00Å
N10	H15	sing	0.97Å	1.00Å
N10	H16	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C15	C16	C14	112.2°	109.5°
C16	C15	C12	114.0°	109.3°
C15	C16	H1	108.8°	109.5°
C15	C16	H2	108.8°	109.4°
C16	C15	H3	108.3°	109.5°
C16	C15	H4	108.3°	109.5°
C16	C14	C13	113.1°	109.3°
C14	C16	H1	108.8°	109.5°
C14	C16	H2	108.8°	109.4°
C16	C14	H5	108.6°	109.5°
C16	C14	H6	108.5°	109.5°
C15	C12	N7	112.2°	108.8°
C12	C15	H3	108.3°	109.5°
C12	C15	H4	108.3°	109.6°
C15	C12	H7	108.8°	109.6°
C15	C12	H8	108.8°	109.5°
C14	C13	N7	112.3°	108.7°
C13	C14	H5	108.6°	109.5°
C13	C14	H6	108.5°	109.5°
C14	C13	H9	108.7°	109.6°
C14	C13	H10	108.7°	109.6°
C12	N7	C13	114.9°	118.8°
C12	N7	C3	116.5°	120.6°
N7	C12	H7	108.8°	109.7°
N7	C12	H8	108.8°	109.6°
C13	N7	C3	121.2°	120.6°
N7	C13	H9	108.7°	109.6°
N7	C13	H10	108.8°	109.6°
O9	C6	C3	124.0°	120.2°
O9	C6	N5	119.6°	120.3°
N7	C3	C6	119.2°	120.5°
N7	C3	C1	122.4°	120.5°
C3	C6	N5	116.4°	119.6°
C6	C3	C1	118.4°	119.0°
C6	N5	C4	125.1°	120.7°
C6	N5	H14	117.4°	119.6°
C3	C1	N10	117.2°	120.3°
C3	C1	N2	122.2°	119.4°
N5	C4	N2	116.8°	121.0°
N5	C4	O8	118.2°	119.5°
C4	N5	H14	117.4°	119.7°
N10	C1	N2	120.6°	120.3°
C1	N10	H15	109.5°	120.0°
C1	N10	H16	109.5°	120.0°
C1	N2	C4	121.1°	120.4°
C1	N2	C11	119.5°	119.8°
N2	C4	O8	125.0°	119.5°
C4	N2	C11	119.4°	119.8°
N2	C11	H11	109.5°	109.5°
N2	C11	H12	109.5°	109.5°
N2	C11	H13	109.5°	109.5°
H1	C16	H2	109.5°	109.5°
H3	C15	H4	109.5°	109.5°
H5	C14	H6	109.5°	109.5°
H7	C12	H8	109.4°	109.7°
H9	C13	H10	109.5°	109.7°
H11	C11	H12	109.5°	109.4°
H11	C11	H13	109.4°	109.5°
H12	C11	H13	109.4°	109.5°
H15	N10	H16	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C15	C16	C14	H1	120.4°	120.0°
C15	C16	C14	H2	120.4°	120.0°
C16	C15	C12	H3	120.7°	119.9°
C16	C15	C12	H4	120.7°	120.0°
C15	C16	C14	C13	48.9°	61.4°
C16	C15	C12	N7	47.4°	54.6°
C15	C16	H1	H2	118.8°	120.0°
C16	C15	H3	H4	117.9°	120.0°
C15	C16	C14	H5	169.5°	178.7°
C15	C16	C14	H6	71.7°	58.6°
C16	C15	C12	H7	167.8°	174.5°
C16	C15	C12	H8	73.0°	65.2°
C14	C16	C15	C12	47.2°	61.4°
C16	C14	C13	H5	120.6°	119.9°
C16	C14	C13	H6	120.5°	120.0°
C16	C14	C13	N7	51.5°	54.7°
C14	C16	H1	H2	118.8°	120.0°
C14	C16	C15	H3	73.5°	58.6°
C14	C16	C15	H4	167.9°	178.6°
C16	C14	H5	H6	118.3°	120.1°
C16	C14	C13	H9	68.9°	65.1°
C16	C14	C13	H10	171.9°	174.4°
C15	C12	N7	H7	120.4°	119.8°
C15	C12	N7	H8	120.4°	119.7°
C15	C12	N7	C13	50.5°	53.6°
C15	C12	N7	C3	159.0°	126.4°
C12	C15	C16	H1	73.2°	58.7°
C12	C15	C16	H2	167.6°	178.7°
C12	C15	H3	H4	117.9°	120.1°
C15	C12	H7	H8	118.7°	120.3°
C14	C13	N7	C12	52.7°	53.6°
C14	C13	N7	H9	120.4°	119.8°
C14	C13	N7	H10	120.4°	119.8°
C14	C13	N7	C3	158.3°	126.3°
C13	C14	C16	H1	71.5°	58.6°
C13	C14	C16	H2	169.3°	178.6°
C13	C14	H5	H6	118.3°	120.1°
C14	C13	H9	H10	118.7°	120.3°
C12	N7	C13	C3	149.0°	180.0°
C12	N7	C3	C6	84.6°	115.9°
C12	N7	C3	C1	95.1°	64.4°
N7	C12	C15	H3	73.3°	65.4°
N7	C12	C15	H4	168.1°	174.6°
N7	C12	H7	H8	118.8°	120.4°
C12	N7	C13	H9	67.8°	66.2°
C12	N7	C13	H10	173.1°	173.4°
C13	N7	C3	C6	64.0°	64.0°
C13	N7	C3	C1	116.4°	115.7°
N7	C13	C14	H5	172.0°	174.6°
N7	C13	C14	H6	69.1°	65.3°
C13	N7	C12	H7	170.9°	173.4°
C13	N7	C12	H8	69.9°	66.1°
N7	C13	H9	H10	118.7°	120.4°
O9	C6	C3	N7	1.1°	0.2°
O9	C6	C3	N5	179.0°	179.9°
O9	C6	C3	C1	179.3°	179.9°
O9	C6	N5	C4	179.5°	179.9°
O9	C6	N5	H14	0.5°	0.1°
N7	C3	C6	C1	179.6°	179.7°
N7	C3	C6	N5	179.9°	179.7°
N7	C3	C1	N10	0.7°	0.3°
N7	C3	C1	N2	178.9°	179.7°
C3	N7	C12	H7	38.6°	6.6°
C3	N7	C12	H8	80.6°	113.9°
C3	N7	C13	H9	81.2°	113.9°
C3	N7	C13	H10	37.9°	6.6°
C3	C6	N5	C4	1.5°	0.0°
C6	C3	C1	N10	179.7°	180.0°
C6	C3	C1	N2	0.7°	0.0°
C3	C6	N5	H14	178.6°	180.0°
N5	C6	C3	C1	0.3°	0.0°
C6	N5	C4	H14	180.0°	180.0°
C6	N5	C4	N2	1.5°	0.0°
C6	N5	C4	O8	178.6°	180.0°
C3	C1	N10	N2	179.5°	180.0°
C3	C1	N2	C4	0.7°	0.0°
C3	C1	N2	C11	179.4°	180.0°
C3	C1	N10	H15	180.0°	6.0°
C3	C1	N10	H16	60.0°	174.0°
N5	C4	N2	C1	0.4°	0.0°
N5	C4	N2	O8	179.9°	180.0°
N5	C4	N2	C11	179.5°	180.0°
N10	C1	N2	C4	179.8°	180.0°
N10	C1	N2	C11	0.1°	0.0°
C1	N10	H15	H16	120.0°	179.9°
C1	N2	C4	C11	179.9°	180.0°
C1	N2	C4	O8	179.7°	180.0°
C1	N2	C11	H11	180.0°	90.0°
C1	N2	C11	H12	60.0°	150.0°
C1	N2	C11	H13	60.0°	30.0°
N2	C1	N10	H15	0.4°	174.1°
N2	C1	N10	H16	120.5°	6.0°
C4	N2	C11	H11	0.2°	90.0°
C4	N2	C11	H12	119.9°	30.0°
C4	N2	C11	H13	120.2°	150.0°
N2	C4	N5	H14	178.5°	180.0°
O8	C4	N2	C11	0.4°	0.0°
O8	C4	N5	H14	1.4°	0.0°
N2	C11	H11	H12	120.1°	120.0°
N2	C11	H11	H13	120.0°	120.0°
N2	C11	H12	H13	120.0°	120.0°
H1	C16	C15	H3	166.1°	178.6°
H1	C16	C15	H4	47.5°	61.3°
H1	C16	C14	H5	49.0°	61.3°
H1	C16	C14	H6	167.9°	178.6°
H2	C16	C15	H3	46.9°	61.4°
H2	C16	C15	H4	71.7°	58.6°
H2	C16	C14	H5	70.2°	58.7°
H2	C16	C14	H6	48.7°	61.4°
H3	C15	C12	H7	47.2°	54.5°
H3	C15	C12	H8	166.3°	174.9°
H4	C15	C12	H7	71.5°	65.6°
H4	C15	C12	H8	47.7°	54.8°
H5	C14	C13	H9	51.6°	54.8°
H5	C14	C13	H10	67.5°	65.6°
H6	C14	C13	H9	170.5°	174.9°
H6	C14	C13	H10	51.4°	54.4°
H11	C11	H12	H13	119.9°	120.0°

Release date:	2014-04-16
Definition date:	2013-11-06
Last modified:	2014-04-11
Release status:	REL
Processing site:	PDBJ
Derived from:	3WKA