389

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	0.00Å	1.49Å
C2	C3	sing	0.00Å	1.52Å
C2	C4	sing	0.00Å	1.53Å
C4	O5	doub	0.00Å	1.23Å
C4	N6	sing	0.00Å	1.33Å
N6	C7	sing	0.00Å	1.46Å
C7	C8	sing	0.00Å	1.56Å
C7	C11	sing	0.00Å	1.53Å
C8	C9	sing	0.00Å	1.54Å
C8	C10	sing	0.00Å	1.53Å
C11	O12	doub	0.00Å	1.23Å
C11	N13	sing	0.00Å	1.34Å
N13	C14	sing	0.00Å	1.46Å
N13	C17	sing	0.00Å	1.47Å
C14	C15	sing	0.00Å	1.54Å
C14	C18	sing	0.00Å	1.54Å
C15	C16	sing	0.00Å	1.48Å
C16	C17	sing	0.00Å	1.49Å
C18	O19	doub	0.00Å	1.23Å
C18	N21	sing	0.00Å	1.34Å
C20	N21	sing	0.00Å	1.47Å
C20	C22	sing	0.00Å	1.52Å
C22	C23	sing	0.00Å	1.48Å
C22	C29	sing	0.00Å	1.49Å
C23	C24	doub	0.00Å	1.39Å	Aromatic
C23	C28	sing	0.00Å	1.39Å	Aromatic
C24	C25	sing	0.00Å	1.39Å	Aromatic
C25	C26	doub	0.00Å	1.39Å	Aromatic
C26	C27	sing	0.00Å	1.39Å	Aromatic
C27	C28	doub	0.00Å	1.39Å	Aromatic
C29	C30	doub	0.00Å	1.40Å	Aromatic
C29	C34	sing	0.00Å	1.39Å	Aromatic
C30	C31	sing	0.00Å	1.39Å	Aromatic
C31	C32	doub	0.00Å	1.39Å	Aromatic
C32	C33	sing	0.00Å	1.39Å	Aromatic
C33	C34	doub	0.00Å	1.39Å	Aromatic
N1	HN1	sing	0.00Å	1.00Å
N1	HN1A	sing	0.00Å	1.00Å
C2	H2	sing	0.00Å	1.10Å
C3	H3	sing	0.00Å	1.10Å
C3	H3A	sing	0.00Å	1.10Å
C3	H3B	sing	0.00Å	1.10Å
N6	HN6	sing	0.00Å	1.00Å
C7	H7	sing	0.00Å	1.10Å
C8	H8	sing	0.00Å	1.10Å
C9	H9	sing	0.00Å	1.10Å
C9	H9A	sing	0.00Å	1.10Å
C9	H9B	sing	0.00Å	1.10Å
C10	H10	sing	0.00Å	1.10Å
C10	H10A	sing	0.00Å	1.10Å
C10	H10B	sing	0.00Å	1.10Å
C14	H14	sing	0.00Å	1.10Å
C15	H15	sing	0.00Å	1.10Å
C15	H15A	sing	0.00Å	1.10Å
C16	H16	sing	0.00Å	1.10Å
C16	H16A	sing	0.00Å	1.10Å
C17	H17	sing	0.00Å	1.10Å
C17	H17A	sing	0.00Å	1.10Å
C20	H20	sing	0.00Å	1.10Å
C20	H20A	sing	0.00Å	1.10Å
N21	HN21	sing	0.00Å	1.00Å
C22	H22	sing	0.00Å	1.10Å
C24	H24	sing	0.00Å	1.08Å
C25	H25	sing	0.00Å	1.08Å
C26	H26	sing	0.00Å	1.08Å
C27	H27	sing	0.00Å	1.08Å
C28	H28	sing	0.00Å	1.08Å
C30	H30	sing	0.00Å	1.08Å
C31	H31	sing	0.00Å	1.08Å
C32	H32	sing	0.00Å	1.08Å
C33	H33	sing	0.00Å	1.08Å
C34	H34	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C2	C3	110.8°	90.0°
N1	C2	C4	109.9°	90.0°
C2	N1	HN1	109.5°	90.0°
C2	N1	HN1A	109.5°	90.0°
N1	C2	H2	108.8°	90.0°
C3	C2	C4	110.9°	90.0°
C3	C2	H2	107.7°	90.0°
C2	C3	H3	109.5°	90.0°
C2	C3	H3A	109.5°	90.0°
C2	C3	H3B	109.5°	90.0°
C2	C4	O5	120.4°	90.0°
C2	C4	N6	116.0°	90.0°
C4	C2	H2	108.6°	90.0°
O5	C4	N6	123.5°	90.0°
C4	N6	C7	123.5°	90.0°
C4	N6	HN6	118.3°	90.0°
N6	C7	C8	112.8°	90.0°
N6	C7	C11	108.2°	90.0°
C7	N6	HN6	118.2°	90.0°
N6	C7	H7	107.9°	90.0°
C8	C7	C11	108.8°	90.0°
C7	C8	C9	111.3°	90.0°
C7	C8	C10	111.3°	90.0°
C8	C7	H7	107.3°	90.0°
C7	C8	H8	107.5°	90.0°
C7	C11	O12	120.4°	90.0°
C7	C11	N13	117.1°	90.0°
C11	C7	H7	112.0°	90.0°
C9	C8	C10	111.2°	90.0°
C9	C8	H8	107.7°	90.0°
C8	C9	H9	109.5°	90.0°
C8	C9	H9A	109.5°	90.0°
C8	C9	H9B	109.5°	90.0°
C10	C8	H8	107.6°	90.0°
C8	C10	H10	109.5°	90.0°
C8	C10	H10A	109.5°	90.0°
C8	C10	H10B	109.5°	90.0°
O12	C11	N13	122.5°	90.0°
C11	N13	C14	119.2°	90.0°
C11	N13	C17	128.2°	90.0°
C14	N13	C17	112.6°	90.0°
N13	C14	C15	103.4°	90.0°
N13	C14	C18	111.3°	90.0°
N13	C14	H14	113.0°	90.0°
N13	C17	C16	103.7°	90.0°
N13	C17	H17	111.5°	90.0°
N13	C17	H17A	112.6°	90.0°
C15	C14	C18	111.9°	90.0°
C14	C15	C16	105.7°	90.0°
C15	C14	H14	112.5°	90.0°
C14	C15	H15	110.7°	90.0°
C14	C15	H15A	111.6°	90.0°
C14	C18	O19	119.6°	90.0°
C14	C18	N21	118.4°	90.0°
C18	C14	H14	104.9°	90.0°
C15	C16	C17	107.2°	90.0°
C16	C15	H15	110.7°	90.0°
C16	C15	H15A	111.5°	90.0°
C15	C16	H16	110.2°	90.0°
C15	C16	H16A	110.8°	90.0°
C17	C16	H16	110.2°	90.0°
C17	C16	H16A	110.7°	90.0°
C16	C17	H17	111.4°	90.0°
C16	C17	H17A	112.7°	90.0°
O19	C18	N21	122.0°	90.0°
C18	N21	C20	119.4°	90.0°
C18	N21	HN21	120.3°	90.0°
N21	C20	C22	114.3°	90.0°
N21	C20	H20	107.9°	90.0°
N21	C20	H20A	106.8°	90.0°
C20	N21	HN21	120.3°	90.0°
C20	C22	C23	107.4°	90.0°
C20	C22	C29	114.8°	90.0°
C22	C20	H20	107.9°	90.0°
C22	C20	H20A	106.8°	90.0°
C20	C22	H22	108.4°	90.0°
C23	C22	C29	112.6°	90.0°
C22	C23	C24	121.0°	90.0°
C22	C23	C28	118.8°	90.0°
C23	C22	H22	110.8°	90.0°
C22	C29	C30	123.2°	90.0°
C22	C29	C34	117.9°	90.0°
C29	C22	H22	102.7°	90.0°
C24	C23	C28	120.1°	90.0°
C23	C24	C25	119.8°	90.0°
C23	C24	H24	120.1°	90.0°
C23	C28	C27	120.0°	90.0°
C23	C28	H28	120.0°	90.0°
C24	C25	C26	120.1°	90.0°
C25	C24	H24	120.1°	90.0°
C24	C25	H25	120.0°	90.0°
C25	C26	C27	120.0°	90.0°
C26	C25	H25	119.9°	90.0°
C25	C26	H26	120.0°	90.0°
C26	C27	C28	120.0°	90.0°
C27	C26	H26	120.0°	90.0°
C26	C27	H27	120.0°	90.0°
C28	C27	H27	120.0°	90.0°
C27	C28	H28	120.0°	90.0°
C30	C29	C34	118.9°	90.0°
C29	C30	C31	120.3°	90.0°
C29	C30	H30	119.8°	90.0°
C29	C34	C33	120.5°	90.0°
C29	C34	H34	119.7°	90.0°
C30	C31	C32	120.8°	90.0°
C31	C30	H30	119.9°	90.0°
C30	C31	H31	119.6°	90.0°
C31	C32	C33	119.1°	90.0°
C32	C31	H31	119.6°	90.0°
C31	C32	H32	120.5°	90.0°
C32	C33	C34	120.4°	90.0°
C33	C32	H32	120.4°	90.0°
C32	C33	H33	119.8°	90.0°
C34	C33	H33	119.8°	90.0°
C33	C34	H34	119.8°	90.0°
HN1	N1	HN1A	109.4°	90.0°
H3	C3	H3A	109.5°	90.0°
H3	C3	H3B	109.4°	90.0°
H3A	C3	H3B	109.5°	90.0°
H9	C9	H9A	109.4°	90.0°
H9	C9	H9B	109.4°	90.0°
H9A	C9	H9B	109.5°	90.0°
H10	C10	H10A	109.5°	90.0°
H10	C10	H10B	109.5°	90.0°
H10A	C10	H10B	109.5°	90.0°
H15	C15	H15A	106.6°	90.0°
H16	C16	H16A	107.7°	90.0°
H17	C17	H17A	105.1°	90.0°
H20	C20	H20A	113.3°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	C3	C4	122.4°	90.0°
N1	C2	C3	H2	118.9°	90.0°
N1	C2	C4	H2	119.0°	90.0°
N1	C2	C4	O5	20.9°	90.0°
N1	C2	C4	N6	156.7°	90.0°
C2	N1	HN1	HN1A	120.0°	90.0°
N1	C2	C3	H3	157.8°	90.0°
N1	C2	C3	H3A	82.2°	90.0°
N1	C2	C3	H3B	37.8°	90.0°
C3	C2	C4	H2	118.2°	90.0°
C3	C2	C4	O5	102.0°	90.0°
C3	C2	C4	N6	80.4°	90.0°
C3	C2	N1	HN1	67.6°	90.0°
C3	C2	N1	HN1A	52.3°	90.0°
C2	C3	H3	H3A	120.0°	90.0°
C2	C3	H3	H3B	120.0°	90.0°
C2	C3	H3A	H3B	120.0°	90.0°
C2	C4	O5	N6	177.4°	90.0°
C2	C4	N6	C7	178.0°	90.0°
C4	C2	N1	HN1	55.3°	90.0°
C4	C2	N1	HN1A	175.3°	90.0°
C4	C2	C3	H3	35.4°	90.0°
C4	C2	C3	H3A	155.4°	90.0°
C4	C2	C3	H3B	84.5°	90.0°
C2	C4	N6	HN6	2.0°	90.0°
O5	C4	N6	C7	4.5°	90.0°
O5	C4	C2	H2	139.8°	90.0°
O5	C4	N6	HN6	175.5°	90.0°
C4	N6	C7	HN6	180.0°	90.0°
C4	N6	C7	C8	108.2°	90.0°
C4	N6	C7	C11	131.4°	90.0°
N6	C4	C2	H2	37.8°	90.0°
C4	N6	C7	H7	10.1°	90.0°
N6	C7	C8	C11	120.0°	90.0°
N6	C7	C8	H7	118.7°	90.0°
N6	C7	C11	H7	118.7°	90.0°
N6	C7	C8	C9	72.1°	90.0°
N6	C7	C8	C10	52.5°	90.0°
N6	C7	C11	O12	26.2°	90.0°
N6	C7	C11	N13	153.1°	90.0°
N6	C7	C8	H8	170.2°	90.0°
C8	C7	C11	H7	118.4°	90.0°
C7	C8	C9	C10	124.8°	90.0°
C7	C8	C9	H8	117.6°	90.0°
C7	C8	C10	H8	117.6°	90.0°
C8	C7	C11	O12	96.6°	90.0°
C8	C7	C11	N13	84.0°	90.0°
C8	C7	N6	HN6	71.9°	90.0°
C7	C8	C9	H9	37.1°	90.0°
C7	C8	C9	H9A	157.0°	90.0°
C7	C8	C9	H9B	82.9°	90.0°
C7	C8	C10	H10	114.3°	90.0°
C7	C8	C10	H10A	5.7°	90.0°
C7	C8	C10	H10B	125.7°	90.0°
C11	C7	C8	C9	167.9°	90.0°
C11	C7	C8	C10	67.5°	90.0°
C7	C11	O12	N13	179.3°	90.0°
C7	C11	N13	C14	174.5°	90.0°
C7	C11	N13	C17	6.2°	90.0°
C11	C7	N6	HN6	48.6°	90.0°
C11	C7	C8	H8	50.2°	90.0°
C9	C8	C10	H8	117.7°	90.0°
C9	C8	C7	H7	46.5°	90.0°
C8	C9	H9	H9A	120.0°	90.0°
C8	C9	H9	H9B	120.0°	90.0°
C8	C9	H9A	H9B	120.0°	90.0°
C9	C8	C10	H10	10.4°	90.0°
C9	C8	C10	H10A	130.4°	90.0°
C9	C8	C10	H10B	109.6°	90.0°
C10	C8	C7	H7	171.2°	90.0°
C10	C8	C9	H9	87.7°	90.0°
C10	C8	C9	H9A	32.3°	90.0°
C10	C8	C9	H9B	152.3°	90.0°
C8	C10	H10	H10A	120.0°	90.0°
C8	C10	H10	H10B	120.0°	90.0°
C8	C10	H10A	H10B	120.0°	90.0°
O12	C11	N13	C14	6.1°	90.0°
O12	C11	N13	C17	173.2°	90.0°
O12	C11	C7	H7	145.0°	90.0°
C11	N13	C14	C17	179.4°	90.0°
C11	N13	C14	C15	172.5°	90.0°
C11	N13	C14	C18	67.2°	90.0°
C11	N13	C17	C16	170.9°	90.0°
N13	C11	C7	H7	34.4°	90.0°
C11	N13	C14	H14	50.5°	90.0°
C11	N13	C17	H17	69.1°	90.0°
C11	N13	C17	H17A	48.8°	90.0°
N13	C14	C15	C18	119.9°	90.0°
N13	C14	C15	H14	122.3°	90.0°
N13	C14	C18	H14	122.6°	90.0°
N13	C14	C15	C16	21.2°	90.0°
C14	N13	C17	C16	9.7°	90.0°
N13	C14	C18	O19	25.2°	90.0°
N13	C14	C18	N21	153.7°	90.0°
N13	C14	C15	H15	141.2°	90.0°
N13	C14	C15	H15A	100.2°	90.0°
C14	N13	C17	H17	110.3°	90.0°
C14	N13	C17	H17A	131.8°	90.0°
C17	N13	C14	C15	6.9°	90.0°
C17	N13	C14	C18	113.3°	90.0°
N13	C17	C16	C15	23.2°	90.0°
N13	C17	C16	H17	120.0°	90.0°
N13	C17	C16	H17A	122.1°	90.0°
C17	N13	C14	H14	128.9°	90.0°
N13	C17	C16	H16	96.8°	90.0°
N13	C17	C16	H16A	144.1°	90.0°
N13	C17	H17	H17A	122.3°	90.0°
C15	C14	C18	H14	122.3°	90.0°
C14	C15	C16	H15	120.0°	90.0°
C14	C15	C16	H15A	121.4°	90.0°
C14	C15	C16	C17	28.0°	90.0°
C15	C14	C18	O19	89.9°	90.0°
C15	C14	C18	N21	91.1°	90.0°
C14	C15	H15	H15A	121.6°	90.0°
C14	C15	C16	H16	92.0°	90.0°
C14	C15	C16	H16A	148.9°	90.0°
C18	C14	C15	C16	98.8°	90.0°
C14	C18	O19	N21	178.9°	90.0°
C14	C18	N21	C20	174.1°	90.0°
C18	C14	C15	H15	21.2°	90.0°
C18	C14	C15	H15A	139.8°	90.0°
C14	C18	N21	HN21	5.9°	90.0°
C15	C16	C17	H16	120.0°	90.0°
C15	C16	C17	H16A	120.9°	90.0°
C16	C15	C14	H14	143.5°	90.0°
C16	C15	H15	H15A	121.5°	90.0°
C15	C16	H16	H16A	121.0°	90.0°
C15	C16	C17	H17	96.8°	90.0°
C15	C16	C17	H17A	145.3°	90.0°
C17	C16	C15	H15	148.0°	90.0°
C17	C16	C15	H15A	93.4°	90.0°
C17	C16	H16	H16A	120.9°	90.0°
C16	C17	H17	H17A	122.3°	90.0°
O19	C18	N21	C20	4.8°	90.0°
O19	C18	C14	H14	147.8°	90.0°
O19	C18	N21	HN21	175.2°	90.0°
C18	N21	C20	HN21	180.0°	90.0°
C18	N21	C20	C22	173.0°	90.0°
N21	C18	C14	H14	31.1°	90.0°
C18	N21	C20	H20	53.0°	90.0°
C18	N21	C20	H20A	69.1°	90.0°
N21	C20	C22	H20	120.0°	90.0°
N21	C20	C22	H20A	117.8°	90.0°
N21	C20	C22	C23	170.0°	90.0°
N21	C20	C22	C29	63.9°	90.0°
N21	C20	H20	H20A	118.0°	90.0°
N21	C20	C22	H22	50.2°	90.0°
C20	C22	C23	C29	127.4°	90.0°
C20	C22	C23	H22	118.2°	90.0°
C20	C22	C29	H22	117.4°	90.0°
C20	C22	C23	C24	80.6°	90.0°
C20	C22	C23	C28	99.2°	90.0°
C20	C22	C29	C30	15.5°	90.0°
C20	C22	C29	C34	163.1°	90.0°
C22	C20	H20	H20A	118.0°	90.0°
C22	C20	N21	HN21	7.0°	90.0°
C23	C22	C29	H22	119.2°	90.0°
C22	C23	C24	C28	179.8°	90.0°
C22	C23	C24	C25	179.9°	90.0°
C22	C23	C28	C27	179.9°	90.0°
C23	C22	C29	C30	107.9°	90.0°
C23	C22	C29	C34	73.5°	90.0°
C23	C22	C20	H20	50.0°	90.0°
C23	C22	C20	H20A	72.2°	90.0°
C22	C23	C24	H24	0.1°	90.0°
C22	C23	C28	H28	0.1°	90.0°
C29	C22	C23	C24	46.8°	90.0°
C29	C22	C23	C28	133.4°	90.0°
C22	C29	C30	C34	178.6°	90.0°
C22	C29	C30	C31	178.9°	90.0°
C22	C29	C34	C33	179.0°	90.0°
C29	C22	C20	H20	176.1°	90.0°
C29	C22	C20	H20A	53.9°	90.0°
C22	C29	C30	H30	1.1°	90.0°
C22	C29	C34	H34	1.0°	90.0°
C23	C24	C25	H24	180.0°	90.0°
C23	C24	C25	C26	0.0°	90.0°
C24	C23	C28	C27	0.3°	90.0°
C24	C23	C22	H22	161.2°	90.0°
C23	C24	C25	H25	180.0°	90.0°
C24	C23	C28	H28	179.7°	90.0°
C28	C23	C24	C25	0.3°	90.0°
C23	C28	C27	C26	0.1°	90.0°
C23	C28	C27	H28	180.0°	90.0°
C28	C23	C22	H22	19.0°	90.0°
C28	C23	C24	H24	179.7°	90.0°
C23	C28	C27	H27	180.0°	90.0°
C24	C25	C26	H25	180.0°	90.0°
C24	C25	C26	C27	0.2°	90.0°
C24	C25	C26	H26	179.8°	90.0°
C25	C26	C27	H26	180.0°	90.0°
C25	C26	C27	C28	0.2°	90.0°
C26	C25	C24	H24	180.0°	90.0°
C25	C26	C27	H27	179.8°	90.0°
C26	C27	C28	H27	180.0°	90.0°
C27	C26	C25	H25	179.8°	90.0°
C26	C27	C28	H28	179.9°	90.0°
C28	C27	C26	H26	179.8°	90.0°
C29	C30	C31	H30	180.0°	90.0°
C29	C30	C31	C32	0.1°	90.0°
C30	C29	C34	C33	0.3°	90.0°
C30	C29	C22	H22	132.9°	90.0°
C29	C30	C31	H31	179.8°	90.0°
C30	C29	C34	H34	179.6°	90.0°
C34	C29	C30	C31	0.3°	90.0°
C29	C34	C33	C32	0.1°	90.0°
C29	C34	C33	H34	180.0°	90.0°
C34	C29	C22	H22	45.7°	90.0°
C34	C29	C30	H30	179.7°	90.0°
C29	C34	C33	H33	179.9°	90.0°
C30	C31	C32	H31	180.0°	90.0°
C30	C31	C32	C33	0.1°	90.0°
C30	C31	C32	H32	180.0°	90.0°
C31	C32	C33	H32	180.0°	90.0°
C31	C32	C33	C34	0.1°	90.0°
C32	C31	C30	H30	179.9°	90.0°
C31	C32	C33	H33	179.9°	90.0°
C32	C33	C34	H33	180.0°	90.0°
C33	C32	C31	H31	180.0°	90.0°
C32	C33	C34	H34	179.8°	90.0°
C34	C33	C32	H32	180.0°	90.0°
HN1	N1	C2	H2	174.1°	90.0°
HN1A	N1	C2	H2	65.9°	90.0°
H2	C2	C3	H3	83.3°	90.0°
H2	C2	C3	H3A	36.7°	90.0°
H2	C2	C3	H3B	156.7°	90.0°
H3	C3	H3A	H3B	120.0°	90.0°
HN6	N6	C7	H7	169.9°	90.0°
H7	C7	C8	H8	71.1°	90.0°
H8	C8	C9	H9	154.6°	90.0°
H8	C8	C9	H9A	85.4°	90.0°
H8	C8	C9	H9B	34.7°	90.0°
H8	C8	C10	H10	128.1°	90.0°
H8	C8	C10	H10A	111.9°	90.0°
H8	C8	C10	H10B	8.1°	90.0°
H9	C9	H9A	H9B	120.0°	90.0°
H10	C10	H10A	H10B	120.0°	90.0°
H14	C14	C15	H15	96.5°	90.0°
H14	C14	C15	H15A	22.1°	90.0°
H15	C15	C16	H16	28.0°	90.0°
H15	C15	C16	H16A	91.1°	90.0°
H15A	C15	C16	H16	146.6°	90.0°
H15A	C15	C16	H16A	27.5°	90.0°
H16	C16	C17	H17	143.2°	90.0°
H16	C16	C17	H17A	25.3°	90.0°
H16A	C16	C17	H17	24.1°	90.0°
H16A	C16	C17	H17A	93.8°	90.0°
H20	C20	N21	HN21	127.0°	90.0°
H20	C20	C22	H22	69.8°	90.0°
H20A	C20	N21	HN21	110.9°	90.0°
H20A	C20	C22	H22	168.1°	90.0°
H24	C24	C25	H25	0.0°	90.0°
H25	C25	C26	H26	0.2°	90.0°
H26	C26	C27	H27	0.2°	90.0°
H27	C27	C28	H28	0.1°	90.0°
H30	C30	C31	H31	0.2°	90.0°
H31	C31	C32	H32	0.0°	90.0°
H32	C32	C33	H33	0.1°	90.0°
H33	C33	C34	H34	0.1°	90.0°

Definition date:	2008-11-12
Last modified:	2012-01-05
Release status:	REL
Processing site:	RCSB
Derived from:	3F7G