AC7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C1	doub	0.00Å	1.44Å	Aromatic
C1	C6	sing	0.00Å	1.43Å	Aromatic
C1	H1	sing	0.00Å	1.10Å
C22	O1	sing	0.00Å	1.44Å
O1	C3	sing	0.00Å	1.41Å
C3	C2	sing	0.00Å	1.45Å	Aromatic
C7	C2	sing	0.00Å	1.54Å
C10	O2	sing	0.00Å	1.39Å
C23	O2	sing	0.00Å	1.44Å
C3	C4	doub	0.00Å	1.43Å	Aromatic
C21	O3	sing	0.00Å	1.43Å
O3	C20	sing	0.00Å	1.47Å
C77	C4	sing	0.00Å	1.28Å
C4	C5	sing	0.00Å	1.41Å	Aromatic
C5	C6	doub	0.00Å	1.42Å	Aromatic
C5	H5	sing	0.00Å	1.10Å
C7	O5	sing	0.00Å	1.46Å
O5	C24	sing	0.00Å	1.41Å
C6	C8	sing	0.00Å	1.54Å
O35	C7	doub	0.00Å	1.24Å
C16	O7	sing	0.00Å	1.44Å
C25	O7	sing	0.00Å	1.43Å
C8	C9	doub	0.00Å	1.37Å
C8	C13	sing	0.00Å	1.54Å
C17	C9	sing	0.00Å	1.53Å
C9	H9	sing	0.00Å	1.10Å
C15	C10	doub	0.00Å	1.45Å	Aromatic
C11	C10	sing	0.00Å	1.46Å	Aromatic
C12	C11	doub	0.00Å	1.43Å	Aromatic
C11	C82	sing	0.00Å	1.31Å
C13	C12	sing	0.00Å	1.44Å	Aromatic
C12	H12	sing	0.00Å	1.10Å
C13	C14	doub	0.00Å	1.40Å	Aromatic
C14	C15	sing	0.00Å	1.41Å	Aromatic
C14	H14	sing	0.00Å	1.10Å
C16	C15	sing	0.00Å	1.52Å
O36	C16	doub	0.00Å	1.23Å
C17	C18	sing	0.00Å	1.51Å
C17	H17	sing	0.00Å	1.14Å
C17	H17A	sing	0.00Å	1.14Å
C19	C18	sing	0.00Å	1.51Å
C18	H18	sing	0.00Å	1.14Å
C18	H18A	sing	0.00Å	1.14Å
C20	C19	sing	0.00Å	1.51Å
C19	H19	sing	0.00Å	1.14Å
C19	H19A	sing	0.00Å	1.14Å
O37	C20	doub	0.00Å	1.19Å
C21	H21	sing	0.00Å	1.14Å
C21	H21A	sing	0.00Å	1.14Å
C21	H21B	sing	0.00Å	1.14Å
C22	H22	sing	0.00Å	1.14Å
C22	H22A	sing	0.00Å	1.14Å
C22	H22B	sing	0.00Å	1.14Å
C23	H23	sing	0.00Å	1.14Å
C23	H23A	sing	0.00Å	1.14Å
C23	H23B	sing	0.00Å	1.14Å
C24	H24	sing	0.00Å	1.14Å
C24	H24A	sing	0.00Å	1.14Å
C24	H24B	sing	0.00Å	1.14Å
C25	H25	sing	0.00Å	1.14Å
C25	H25A	sing	0.00Å	1.14Å
C25	H25B	sing	0.00Å	1.14Å
N69	C77	trip	0.00Å	1.15Å
C82	N74	trip	0.00Å	1.17Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	120.5°	90.0°
C2	C1	H1	119.8°	90.0°
C1	C2	C3	119.6°	90.0°
C1	C2	C7	118.8°	90.0°
C6	C1	H1	119.7°	90.0°
C1	C6	C5	119.0°	90.0°
C1	C6	C8	121.1°	90.0°
C22	O1	C3	122.8°	90.0°
O1	C22	H22	109.5°	90.0°
O1	C22	H22A	109.5°	90.0°
O1	C22	H22B	109.5°	90.0°
O1	C3	C2	121.0°	90.0°
O1	C3	C4	120.3°	90.0°
C3	C2	C7	121.6°	90.0°
C2	C3	C4	118.7°	90.0°
C2	C7	O5	119.7°	90.0°
C2	C7	O35	122.2°	90.0°
C10	O2	C23	120.5°	90.0°
O2	C10	C15	121.5°	90.0°
O2	C10	C11	120.0°	90.0°
O2	C23	H23	109.5°	90.0°
O2	C23	H23A	109.5°	90.0°
O2	C23	H23B	109.4°	90.0°
C3	C4	C77	121.4°	90.0°
C3	C4	C5	120.7°	90.0°
C21	O3	C20	121.2°	90.0°
O3	C21	H21	109.5°	90.0°
O3	C21	H21A	109.5°	90.0°
O3	C21	H21B	109.4°	90.0°
O3	C20	C19	118.4°	90.0°
O3	C20	O37	121.3°	90.0°
C77	C4	C5	117.9°	90.0°
C4	C77	N69	178.8°	90.0°
C4	C5	C6	121.5°	90.0°
C4	C5	H5	119.3°	90.0°
C6	C5	H5	119.3°	90.0°
C5	C6	C8	119.9°	90.0°
C7	O5	C24	121.8°	90.0°
O5	C7	O35	118.1°	90.0°
O5	C24	H24	109.5°	90.0°
O5	C24	H24A	109.5°	90.0°
O5	C24	H24B	109.5°	90.0°
C6	C8	C9	123.1°	90.0°
C6	C8	C13	118.9°	90.0°
C16	O7	C25	116.4°	90.0°
O7	C16	C15	124.1°	90.0°
O7	C16	O36	116.7°	90.0°
O7	C25	H25	109.5°	90.0°
O7	C25	H25A	109.4°	90.0°
O7	C25	H25B	109.5°	90.0°
C9	C8	C13	117.9°	90.0°
C8	C9	C17	126.8°	90.0°
C8	C9	H9	116.6°	90.0°
C8	C13	C12	122.4°	90.0°
C8	C13	C14	119.3°	90.0°
C17	C9	H9	116.6°	90.0°
C9	C17	C18	111.3°	90.0°
C9	C17	H17	109.0°	90.0°
C9	C17	H17A	108.4°	90.0°
C15	C10	C11	118.5°	90.0°
C10	C15	C14	119.3°	90.0°
C10	C15	C16	125.1°	90.0°
C10	C11	C12	119.6°	90.0°
C10	C11	C82	122.2°	90.0°
C12	C11	C82	118.1°	90.0°
C11	C12	C13	121.0°	90.0°
C11	C12	H12	119.4°	90.0°
C11	C82	N74	179.2°	90.0°
C13	C12	H12	119.5°	90.0°
C12	C13	C14	118.3°	90.0°
C13	C14	C15	123.2°	90.0°
C13	C14	H14	118.4°	90.0°
C15	C14	H14	118.4°	90.0°
C14	C15	C16	115.6°	90.0°
C15	C16	O36	119.2°	90.0°
C18	C17	H17	109.0°	90.0°
C18	C17	H17A	108.4°	90.0°
C17	C18	C19	109.1°	90.0°
C17	C18	H18	109.6°	90.0°
C17	C18	H18A	109.7°	90.0°
H17	C17	H17A	110.7°	90.0°
C19	C18	H18	109.6°	90.0°
C19	C18	H18A	109.7°	90.0°
C18	C19	C20	112.7°	90.0°
C18	C19	H19	108.7°	90.0°
C18	C19	H19A	107.6°	90.0°
H18	C18	H18A	109.2°	90.0°
C20	C19	H19	108.7°	90.0°
C20	C19	H19A	107.6°	90.0°
C19	C20	O37	120.3°	90.0°
H19	C19	H19A	111.7°	90.0°
H21	C21	H21A	109.5°	90.0°
H21	C21	H21B	109.4°	90.0°
H21A	C21	H21B	109.5°	90.0°
H22	C22	H22A	109.5°	90.0°
H22	C22	H22B	109.5°	90.0°
H22A	C22	H22B	109.4°	90.0°
H23	C23	H23A	109.5°	90.0°
H23	C23	H23B	109.5°	90.0°
H23A	C23	H23B	109.5°	90.0°
H24	C24	H24A	109.5°	90.0°
H24	C24	H24B	109.5°	90.0°
H24A	C24	H24B	109.5°	90.0°
H25	C25	H25A	109.5°	90.0°
H25	C25	H25B	109.4°	90.0°
H25A	C25	H25B	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	H1	180.0°	90.0°
C1	C2	C3	O1	179.9°	90.0°
C1	C2	C3	C7	179.9°	90.0°
C1	C2	C3	C4	0.6°	90.0°
C2	C1	C6	C5	0.4°	90.0°
C1	C2	C7	O5	0.7°	90.0°
C2	C1	C6	C8	179.4°	90.0°
C1	C2	C7	O35	179.1°	90.0°
C6	C1	C2	C3	0.0°	90.0°
C6	C1	C2	C7	180.0°	90.0°
C1	C6	C5	C4	0.2°	90.0°
C1	C6	C5	C8	179.8°	90.0°
C1	C6	C5	H5	179.8°	90.0°
C1	C6	C8	C9	62.3°	90.0°
C1	C6	C8	C13	120.5°	90.0°
H1	C1	C2	C3	180.0°	90.0°
H1	C1	C2	C7	0.0°	90.0°
H1	C1	C6	C5	179.6°	90.0°
H1	C1	C6	C8	0.6°	90.0°
C22	O1	C3	C2	95.6°	90.0°
C22	O1	C3	C4	85.1°	90.0°
O1	C22	H22	H22A	120.0°	90.0°
O1	C22	H22	H22B	120.0°	90.0°
O1	C22	H22A	H22B	120.0°	90.0°
O1	C3	C2	C4	179.3°	90.0°
O1	C3	C2	C7	0.1°	90.0°
O1	C3	C4	C77	0.1°	90.0°
O1	C3	C4	C5	179.9°	90.0°
C3	O1	C22	H22	43.6°	90.0°
C3	O1	C22	H22A	76.4°	90.0°
C3	O1	C22	H22B	163.6°	90.0°
C2	C3	C4	C77	179.4°	90.0°
C2	C3	C4	C5	0.8°	90.0°
C3	C2	C7	O5	179.3°	90.0°
C3	C2	C7	O35	0.9°	90.0°
C7	C2	C3	C4	179.4°	90.0°
C2	C7	O5	O35	179.8°	90.0°
C2	C7	O5	C24	124.5°	90.0°
O2	C10	C15	C11	179.7°	90.0°
O2	C10	C11	C12	179.6°	90.0°
O2	C10	C11	C82	0.2°	90.0°
O2	C10	C15	C14	179.7°	90.0°
O2	C10	C15	C16	0.0°	90.0°
C10	O2	C23	H23	127.3°	90.0°
C10	O2	C23	H23A	112.7°	90.0°
C10	O2	C23	H23B	7.3°	90.0°
C23	O2	C10	C15	92.6°	90.0°
C23	O2	C10	C11	87.7°	90.0°
O2	C23	H23	H23A	120.0°	90.0°
O2	C23	H23	H23B	120.0°	90.0°
O2	C23	H23A	H23B	119.9°	90.0°
C3	C4	C77	C5	179.8°	90.0°
C3	C4	C5	C6	0.4°	90.0°
C3	C4	C5	H5	179.6°	90.0°
C3	C4	C77	N69	119.9°	90.0°
C21	O3	C20	C19	177.2°	90.0°
C21	O3	C20	O37	2.8°	90.0°
O3	C21	H21	H21A	120.0°	90.0°
O3	C21	H21	H21B	119.9°	90.0°
O3	C21	H21A	H21B	120.0°	90.0°
O3	C20	C19	C18	165.8°	90.0°
O3	C20	C19	O37	180.0°	90.0°
O3	C20	C19	H19	45.3°	90.0°
O3	C20	C19	H19A	75.7°	90.0°
C20	O3	C21	H21	15.9°	90.0°
C20	O3	C21	H21A	135.9°	90.0°
C20	O3	C21	H21B	104.0°	90.0°
C77	C4	C5	C6	179.8°	90.0°
C77	C4	C5	H5	0.2°	90.0°
C4	C5	C6	H5	180.0°	90.0°
C4	C5	C6	C8	179.6°	90.0°
C5	C4	C77	N69	60.3°	90.0°
C5	C6	C8	C9	117.6°	90.0°
C5	C6	C8	C13	59.7°	90.0°
H5	C5	C6	C8	0.4°	90.0°
C7	O5	C24	H24	30.5°	90.0°
C7	O5	C24	H24A	89.5°	90.0°
C7	O5	C24	H24B	150.5°	90.0°
C24	O5	C7	O35	55.6°	90.0°
O5	C24	H24	H24A	120.0°	90.0°
O5	C24	H24	H24B	120.0°	90.0°
O5	C24	H24A	H24B	120.0°	90.0°
C6	C8	C9	C13	177.3°	90.0°
C6	C8	C9	C17	0.3°	90.0°
C6	C8	C9	H9	179.7°	90.0°
C6	C8	C13	C12	162.3°	90.0°
C6	C8	C13	C14	17.5°	90.0°
O7	C16	C15	C10	3.9°	90.0°
O7	C16	C15	C14	176.4°	90.0°
O7	C16	C15	O36	179.5°	90.0°
C16	O7	C25	H25	114.0°	90.0°
C16	O7	C25	H25A	6.1°	90.0°
C16	O7	C25	H25B	126.1°	90.0°
C25	O7	C16	C15	167.6°	90.0°
C25	O7	C16	O36	11.9°	90.0°
O7	C25	H25	H25A	120.0°	90.0°
O7	C25	H25	H25B	120.0°	90.0°
O7	C25	H25A	H25B	120.0°	90.0°
C8	C9	C17	H9	180.0°	90.0°
C9	C8	C13	C12	15.1°	90.0°
C9	C8	C13	C14	165.1°	90.0°
C8	C9	C17	C18	94.8°	90.0°
C8	C9	C17	H17	145.0°	90.0°
C8	C9	C17	H17A	24.4°	90.0°
C13	C8	C9	C17	177.6°	90.0°
C13	C8	C9	H9	2.4°	90.0°
C8	C13	C12	C11	178.8°	90.0°
C8	C13	C12	C14	179.8°	90.0°
C8	C13	C12	H12	1.2°	90.0°
C8	C13	C14	C15	178.7°	90.0°
C8	C13	C14	H14	1.3°	90.0°
C9	C17	C18	H17	120.2°	90.0°
C9	C17	C18	H17A	119.1°	90.0°
C9	C17	H17	H17A	119.2°	90.0°
C9	C17	C18	C19	178.3°	90.0°
C9	C17	C18	H18	58.4°	90.0°
C9	C17	C18	H18A	61.5°	90.0°
H9	C9	C17	C18	85.2°	90.0°
H9	C9	C17	H17	35.0°	90.0°
H9	C9	C17	H17A	155.6°	90.0°
C15	C10	C11	C12	0.8°	90.0°
C15	C10	C11	C82	179.5°	90.0°
C10	C15	C14	C13	0.3°	90.0°
C10	C15	C14	C16	179.7°	90.0°
C10	C15	C14	H14	179.7°	90.0°
C10	C15	C16	O36	175.6°	90.0°
C10	C11	C12	C82	179.8°	90.0°
C10	C11	C12	C13	0.0°	90.0°
C10	C11	C12	H12	180.0°	90.0°
C11	C10	C15	C14	0.6°	90.0°
C11	C10	C15	C16	179.7°	90.0°
C10	C11	C82	N74	38.0°	90.0°
C11	C12	C13	H12	180.0°	90.0°
C11	C12	C13	C14	1.0°	90.0°
C12	C11	C82	N74	142.2°	90.0°
C82	C11	C12	C13	179.8°	90.0°
C82	C11	C12	H12	0.2°	90.0°
C12	C13	C14	C15	1.1°	90.0°
C12	C13	C14	H14	178.9°	90.0°
H12	C12	C13	C14	179.0°	90.0°
C13	C14	C15	H14	180.0°	90.0°
C13	C14	C15	C16	179.4°	90.0°
C14	C15	C16	O36	4.1°	90.0°
H14	C14	C15	C16	0.6°	90.0°
C18	C17	H17	H17A	119.2°	90.0°
C17	C18	C19	H18	120.0°	90.0°
C17	C18	C19	H18A	120.1°	90.0°
C17	C18	H18	H18A	120.2°	90.0°
C17	C18	C19	C20	109.3°	90.0°
C17	C18	C19	H19	130.2°	90.0°
C17	C18	C19	H19A	9.1°	90.0°
H17	C17	C18	C19	61.4°	90.0°
H17	C17	C18	H18	178.6°	90.0°
H17	C17	C18	H18A	58.7°	90.0°
H17A	C17	C18	C19	59.2°	90.0°
H17A	C17	C18	H18	60.8°	90.0°
H17A	C17	C18	H18A	179.4°	90.0°
C19	C18	H18	H18A	120.2°	90.0°
C18	C19	C20	H19	120.5°	90.0°
C18	C19	C20	H19A	118.5°	90.0°
C18	C19	H19	H19A	118.6°	90.0°
C18	C19	C20	O37	14.1°	90.0°
H18	C18	C19	C20	10.6°	90.0°
H18	C18	C19	H19	109.8°	90.0°
H18	C18	C19	H19A	129.1°	90.0°
H18A	C18	C19	C20	130.5°	90.0°
H18A	C18	C19	H19	10.0°	90.0°
H18A	C18	C19	H19A	111.0°	90.0°
C20	C19	H19	H19A	118.5°	90.0°
H19	C19	C20	O37	134.6°	90.0°
H19A	C19	C20	O37	104.3°	90.0°
H21	C21	H21A	H21B	120.0°	90.0°
H22	C22	H22A	H22B	120.0°	90.0°
H23	C23	H23A	H23B	120.0°	90.0°
H24	C24	H24A	H24B	120.0°	90.0°
H25	C25	H25A	H25B	120.0°	90.0°

Definition date:	2009-08-27
Last modified:	2012-01-05
Release status:	REL
Processing site:	RCSB