07M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N23	C22	trip	1.14Å	1.16Å
C22	C17	sing	1.43Å	1.45Å
N18	C17	doub	1.33Å	1.35Å	Aromatic
N18	C19	sing	1.32Å	1.34Å	Aromatic
C17	C1	sing	1.40Å	1.41Å	Aromatic
C19	C20	doub	1.39Å	1.41Å	Aromatic
C1	C2	sing	1.51Å	1.52Å
C1	C21	doub	1.38Å	1.41Å	Aromatic
C2	S16	sing	1.81Å	1.83Å
S16	C9	sing	1.76Å	1.75Å
C20	C21	sing	1.39Å	1.41Å	Aromatic
C5	O4	sing	1.43Å	1.44Å
C5	C8	sing	1.51Å	1.52Å
C9	C8	sing	1.40Å	1.39Å	Aromatic
C9	N10	doub	1.32Å	1.33Å	Aromatic
O4	C3	sing	1.43Å	1.43Å
C8	C7	doub	1.36Å	1.41Å	Aromatic
N10	C11	sing	1.32Å	1.34Å	Aromatic
C3	C6	sing	1.53Å	1.54Å
C7	C6	sing	1.50Å	1.52Å
C7	C12	sing	1.40Å	1.41Å	Aromatic
C11	O15	sing	1.35Å	1.36Å
C11	C12	doub	1.40Å	1.41Å	Aromatic
C12	C13	sing	1.43Å	1.45Å
C13	N14	trip	1.14Å	1.16Å
C2	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C19	H10	sing	1.08Å	1.08Å
C20	H11	sing	1.08Å	1.08Å
C21	H12	sing	1.08Å	1.08Å
O15	H9	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N23	C22	C17	177.5°	180.0°
C22	C17	N18	120.2°	119.7°
C22	C17	C1	118.7°	119.7°
C17	N18	C19	122.2°	121.6°
N18	C17	C1	121.0°	120.5°
N18	C19	C20	120.1°	120.9°
N18	C19	H10	119.9°	119.6°
C17	C1	C2	119.2°	120.5°
C17	C1	C21	118.4°	119.1°
C19	C20	C21	119.4°	119.4°
C20	C19	H10	120.0°	119.5°
C19	C20	H11	120.3°	120.3°
C2	C1	C21	122.2°	120.5°
C1	C2	S16	109.8°	109.4°
C1	C2	H1	109.4°	109.5°
C1	C2	H2	109.4°	109.5°
C1	C21	C20	118.8°	118.5°
C1	C21	H12	120.6°	120.8°
C2	S16	C9	106.8°	100.0°
S16	C2	H1	109.4°	109.5°
S16	C2	H2	109.3°	109.5°
S16	C9	C8	121.7°	119.4°
S16	C9	N10	116.9°	119.4°
C21	C20	H11	120.3°	120.3°
C20	C21	H12	120.6°	120.7°
O4	C5	C8	112.5°	110.2°
C5	O4	C3	110.0°	113.2°
O4	C5	H5	108.5°	109.3°
O4	C5	H6	108.5°	109.4°
C5	C8	C9	121.1°	119.2°
C5	C8	C7	120.2°	121.6°
C8	C5	H5	108.5°	109.3°
C8	C5	H6	108.5°	109.3°
C8	C9	N10	121.4°	121.2°
C9	C8	C7	118.7°	119.3°
C9	N10	C11	121.6°	121.6°
O4	C3	C6	110.3°	108.5°
O4	C3	H3	109.2°	109.6°
O4	C3	H4	109.2°	109.9°
C8	C7	C6	119.1°	121.8°
C8	C7	C12	119.0°	118.8°
N10	C11	O15	116.4°	119.9°
N10	C11	C12	121.0°	120.2°
C3	C6	C7	112.8°	109.8°
C6	C3	H3	109.2°	109.6°
C6	C3	H4	109.2°	109.7°
C3	C6	H7	108.4°	109.5°
C3	C6	H8	108.4°	109.4°
C6	C7	C12	121.9°	119.4°
C7	C6	H7	108.4°	109.4°
C7	C6	H8	108.4°	109.4°
C7	C12	C11	118.2°	119.0°
C7	C12	C13	121.3°	120.5°
O15	C11	C12	122.4°	119.9°
C11	O15	H9	109.5°	114.0°
C11	C12	C13	120.5°	120.5°
C12	C13	N14	177.2°	180.0°
H1	C2	H2	109.6°	109.5°
H3	C3	H4	109.7°	109.7°
H5	C5	H6	110.4°	109.2°
H7	C6	H8	110.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N23	C22	C17	N18	166.9°	131.6°
N23	C22	C17	C1	13.7°	48.4°
C22	C17	N18	C1	179.4°	179.9°
C22	C17	N18	C19	178.6°	180.0°
C22	C17	C1	C2	3.4°	0.1°
C22	C17	C1	C21	179.0°	179.7°
C17	N18	C19	C20	0.6°	0.0°
N18	C17	C1	C2	176.0°	180.0°
N18	C17	C1	C21	0.4°	0.2°
C17	N18	C19	H10	179.4°	180.0°
C19	N18	C17	C1	2.0°	0.0°
N18	C19	C20	H10	180.0°	180.0°
N18	C19	C20	C21	3.2°	0.3°
N18	C19	C20	H11	176.8°	180.0°
C17	C1	C2	C21	175.5°	179.8°
C17	C1	C2	S16	78.7°	89.8°
C17	C1	C21	C20	4.0°	0.5°
C17	C1	C2	H1	41.4°	30.2°
C17	C1	C2	H2	161.4°	150.2°
C17	C1	C21	H12	176.0°	179.8°
C19	C20	C21	C1	5.4°	0.5°
C19	C20	C21	H11	180.0°	179.7°
C19	C20	C21	H12	174.6°	179.7°
C1	C2	S16	H1	120.0°	119.9°
C1	C2	S16	H2	120.0°	120.0°
C1	C2	S16	C9	90.5°	180.0°
C2	C1	C21	C20	179.5°	179.7°
C1	C2	H1	H2	119.9°	120.0°
C2	C1	C21	H12	0.5°	0.0°
C21	C1	C2	S16	105.8°	90.0°
C1	C21	C20	H12	180.0°	179.7°
C21	C1	C2	H1	134.1°	150.0°
C21	C1	C2	H2	14.1°	30.0°
C1	C21	C20	H11	174.6°	179.7°
C2	S16	C9	C8	175.0°	180.0°
C2	S16	C9	N10	4.9°	0.0°
S16	C2	H1	H2	119.8°	120.1°
S16	C9	C8	C5	1.8°	0.2°
S16	C9	C8	N10	179.9°	179.9°
S16	C9	C8	C7	179.0°	179.8°
S16	C9	N10	C11	177.9°	179.9°
C9	S16	C2	H1	149.5°	60.0°
C9	S16	C2	H2	29.5°	60.0°
C21	C20	C19	H10	176.8°	179.7°
O4	C5	C8	H5	120.0°	120.2°
O4	C5	C8	H6	120.0°	120.2°
O4	C5	C8	C9	159.4°	164.0°
O4	C5	C8	C7	23.5°	16.0°
C5	O4	C3	C6	68.3°	70.1°
C5	O4	C3	H3	51.7°	49.5°
C5	O4	C3	H4	171.7°	170.1°
O4	C5	H5	H6	118.7°	119.6°
C5	C8	C9	C7	177.1°	180.0°
C5	C8	C9	N10	178.3°	179.8°
C8	C5	O4	C3	56.3°	51.6°
C5	C8	C7	C6	3.0°	0.3°
C5	C8	C7	C12	179.3°	179.7°
C8	C5	H5	H6	118.8°	119.6°
C8	C9	N10	C11	2.0°	0.0°
C9	C8	C7	C6	179.9°	179.7°
C9	C8	C7	C12	2.1°	0.3°
C9	C8	C5	H5	39.4°	43.7°
C9	C8	C5	H6	80.6°	75.8°
N10	C9	C8	C7	1.1°	0.2°
C9	N10	C11	O15	179.8°	179.9°
C9	N10	C11	C12	4.0°	0.1°
O4	C3	C6	H3	120.0°	119.6°
O4	C3	C6	H4	120.0°	120.0°
O4	C3	C6	C7	45.6°	48.6°
O4	C3	H3	H4	119.7°	120.7°
C3	O4	C5	H5	176.3°	171.8°
C3	O4	C5	H6	63.7°	68.6°
O4	C3	C6	H7	165.6°	168.7°
O4	C3	C6	H8	74.4°	71.4°
C8	C7	C6	C3	13.6°	16.6°
C8	C7	C6	C12	177.7°	180.0°
C8	C7	C12	C11	0.2°	0.1°
C8	C7	C12	C13	179.9°	179.8°
C7	C8	C5	H5	143.5°	136.3°
C7	C8	C5	H6	96.5°	104.2°
C8	C7	C6	H7	133.6°	136.8°
C8	C7	C6	H8	106.4°	103.4°
N10	C11	C12	C7	2.8°	0.1°
N10	C11	O15	C12	176.1°	179.9°
N10	C11	C12	C13	177.1°	180.0°
N10	C11	O15	H9	0.0°	90.0°
C3	C6	C7	H7	120.0°	120.2°
C3	C6	C7	H8	120.0°	120.0°
C3	C6	C7	C12	168.7°	163.4°
C6	C3	H3	H4	119.7°	120.4°
C3	C6	H7	H8	118.6°	119.9°
C6	C7	C12	C11	177.9°	179.8°
C6	C7	C12	C13	2.2°	0.2°
C7	C6	C3	H3	74.4°	71.0°
C7	C6	C3	H4	165.6°	168.6°
C7	C6	H7	H8	118.6°	119.8°
C7	C12	C11	O15	178.8°	180.0°
C7	C12	C11	C13	179.9°	179.9°
C7	C12	C13	N14	118.3°	9.8°
C12	C7	C6	H7	48.7°	43.3°
C12	C7	C6	H8	71.3°	76.6°
O15	C11	C12	C13	1.2°	0.0°
C11	C12	C13	N14	61.6°	170.3°
C12	C11	O15	H9	176.1°	90.0°
H3	C3	C6	H7	45.6°	49.1°
H3	C3	C6	H8	165.6°	169.0°
H4	C3	C6	H7	74.4°	71.3°
H4	C3	C6	H8	45.6°	48.6°
H10	C19	C20	H11	3.2°	0.0°
H11	C20	C21	H12	5.4°	0.0°

Definition date:	2011-09-29
Last modified:	2011-10-28
Release status:	REL
Processing site:	RCSB
Derived from:	3TFQ