36X

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C6	doub	1.32Å	1.36Å
C6	C5	sing	1.48Å	1.41Å
C6	C7	sing	1.48Å	1.41Å
C4	C5	sing	1.50Å	1.51Å
C4	C3	sing	1.55Å	1.54Å
C8	C7	sing	1.50Å	1.51Å
C8	C9	sing	1.55Å	1.54Å
C5	C1	doub	1.35Å	1.43Å
C7	C11	doub	1.35Å	1.43Å
C3	C2	sing	1.55Å	1.53Å
C9	C10	sing	1.55Å	1.53Å
C1	C2	sing	1.51Å	1.47Å
C1	N	sing	1.37Å	1.43Å
C11	N	sing	1.38Å	1.36Å
C11	C10	sing	1.51Å	1.47Å
N	C	sing	1.46Å	1.47Å
N1	H1	sing	0.97Å	1.00Å
C4	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C	H6	sing	1.09Å	1.10Å
C	H7	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C9	H11	sing	1.09Å	1.10Å
C9	H12	sing	1.09Å	1.10Å
C8	H13	sing	1.09Å	1.10Å
C8	H14	sing	1.09Å	1.10Å
C4	H16	sing	1.09Å	1.10Å
C3	H17	sing	1.09Å	1.10Å
C2	H18	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C6	C5	120.6°	123.7°
N1	C6	C7	120.3°	123.7°
C6	N1	H1	112.0°	120.0°
C5	C6	C7	119.1°	112.6°
C6	C5	C4	130.4°	127.9°
C6	C5	C1	119.4°	121.2°
C6	C7	C8	129.7°	127.8°
C6	C7	C11	121.2°	121.2°
C5	C4	C3	103.5°	104.9°
C4	C5	C1	110.1°	110.9°
C5	C4	H3	110.9°	110.4°
C5	C4	H16	110.9°	110.4°
C4	C3	C2	108.8°	102.1°
C3	C4	H3	110.9°	110.4°
C4	C3	H4	109.7°	110.9°
C3	C4	H16	111.0°	110.3°
C4	C3	H17	109.6°	110.9°
C7	C8	C9	103.3°	104.9°
C8	C7	C11	109.0°	111.0°
C7	C8	H13	111.0°	110.4°
C7	C8	H14	111.0°	110.4°
C8	C9	C10	107.1°	102.1°
C8	C9	H11	110.1°	110.9°
C8	C9	H12	110.1°	110.9°
C9	C8	H13	111.0°	110.3°
C9	C8	H14	111.0°	110.3°
C5	C1	C2	111.8°	110.0°
C5	C1	N	120.0°	123.1°
C7	C11	N	120.1°	123.1°
C7	C11	C10	111.7°	110.0°
C3	C2	C1	104.9°	105.1°
C2	C3	H4	109.6°	110.9°
C3	C2	H5	110.6°	110.3°
C2	C3	H17	109.6°	110.9°
C3	C2	H18	110.6°	110.3°
C9	C10	C11	103.2°	105.1°
C9	C10	H9	111.0°	110.4°
C9	C10	H10	111.0°	110.4°
C10	C9	H11	110.1°	110.9°
C10	C9	H12	110.1°	110.9°
C2	C1	N	128.2°	126.8°
C1	C2	H5	110.6°	110.3°
C1	C2	H18	110.6°	110.4°
C1	N	C11	120.1°	117.6°
C1	N	C	120.0°	121.2°
N	C11	C10	128.1°	126.9°
C11	N	C	119.9°	121.2°
C11	C10	H9	111.0°	110.3°
C11	C10	H10	111.0°	110.2°
N	C	H6	109.5°	109.5°
N	C	H7	109.5°	109.5°
N	C	H2	109.5°	109.5°
H3	C4	H16	109.5°	110.4°
H4	C3	H17	109.4°	110.9°
H5	C2	H18	109.5°	110.3°
H6	C	H7	109.5°	109.5°
H6	C	H2	109.5°	109.5°
H7	C	H2	109.5°	109.4°
H9	C10	H10	109.5°	110.3°
H11	C9	H12	109.4°	110.8°
H13	C8	H14	109.5°	110.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C6	C5	C7	178.0°	179.7°
N1	C6	C5	C4	8.0°	8.2°
N1	C6	C7	C8	5.4°	8.0°
N1	C6	C5	C1	175.7°	171.9°
N1	C6	C7	C11	177.2°	171.9°
C6	C5	C4	C1	176.5°	179.9°
C6	C5	C4	C3	174.6°	163.5°
C5	C6	C7	C8	176.7°	171.7°
C5	C6	C7	C11	0.7°	8.4°
C6	C5	C1	C2	176.6°	180.0°
C6	C5	C1	N	1.7°	0.2°
C5	C6	N1	H1	178.0°	180.0°
C6	C5	C4	H3	55.5°	77.6°
C6	C5	C4	H16	66.3°	44.7°
C7	C6	C5	C4	174.0°	171.5°
C6	C7	C8	C11	177.7°	180.0°
C6	C7	C8	C9	170.1°	163.8°
C7	C6	C5	C1	2.3°	8.3°
C6	C7	C11	N	1.5°	0.1°
C6	C7	C11	C10	175.2°	179.8°
C7	C6	N1	H1	0.0°	0.3°
C6	C7	C8	H13	70.9°	77.4°
C6	C7	C8	H14	51.1°	44.9°
C5	C4	C3	H3	119.0°	118.9°
C5	C4	C3	H16	119.1°	118.9°
C5	C4	C3	C2	8.2°	24.8°
C4	C5	C1	C2	6.4°	0.1°
C4	C5	C1	N	175.3°	179.9°
C5	C4	H3	H16	122.7°	122.3°
C5	C4	C3	H4	111.7°	143.0°
C5	C4	C3	H17	128.1°	93.4°
C3	C4	C5	C1	8.9°	16.3°
C4	C3	C2	H4	119.9°	118.2°
C4	C3	C2	H17	119.9°	118.2°
C4	C3	C2	C1	4.8°	25.0°
C3	C4	H3	H16	122.8°	122.2°
C4	C3	H4	H17	120.3°	123.6°
C4	C3	C2	H5	124.0°	94.0°
C4	C3	C2	H18	114.5°	144.0°
C7	C8	C9	H13	119.0°	118.9°
C7	C8	C9	H14	119.0°	118.9°
C7	C8	C9	C10	22.3°	24.8°
C8	C7	C11	N	179.4°	179.8°
C8	C7	C11	C10	2.7°	0.2°
C7	C8	C9	H11	141.9°	93.4°
C7	C8	C9	H12	97.4°	143.0°
C7	C8	H13	H14	122.9°	122.3°
C9	C8	C7	C11	12.2°	16.2°
C8	C9	C10	H11	119.6°	118.2°
C8	C9	C10	H12	119.6°	118.2°
C8	C9	C10	C11	23.8°	25.0°
C8	C9	C10	H9	95.2°	143.9°
C8	C9	C10	H10	142.7°	93.9°
C8	C9	H11	H12	121.1°	123.7°
C9	C8	H13	H14	122.9°	122.2°
C5	C1	C2	C3	0.9°	16.5°
C5	C1	C2	N	178.1°	179.8°
C5	C1	N	C11	0.5°	9.3°
C5	C1	N	C	178.8°	171.0°
C1	C5	C4	H3	127.9°	102.5°
C5	C1	C2	H5	118.4°	102.4°
C1	C5	C4	H16	110.2°	135.2°
C5	C1	C2	H18	120.2°	135.4°
C7	C11	C10	C9	16.5°	16.6°
C7	C11	N	C1	2.1°	9.3°
C7	C11	N	C10	176.0°	179.9°
C7	C11	N	C	179.7°	171.1°
C7	C11	C10	H9	102.5°	135.6°
C7	C11	C10	H10	135.5°	102.4°
C11	C7	C8	H13	106.7°	102.6°
C11	C7	C8	H14	131.3°	135.0°
C3	C2	C1	H5	119.3°	118.9°
C3	C2	C1	H18	119.3°	118.9°
C3	C2	C1	N	179.0°	163.7°
C2	C3	C4	H3	127.3°	94.0°
C2	C3	H4	H17	120.3°	123.7°
C3	C2	H5	H18	122.1°	122.0°
C2	C3	C4	H16	110.8°	143.7°
C9	C10	C11	N	167.2°	163.5°
C9	C10	C11	H9	119.0°	119.0°
C9	C10	C11	H10	119.0°	119.0°
C9	C10	H9	H10	122.9°	122.3°
C10	C9	H11	H12	121.1°	123.6°
C10	C9	C8	H13	96.7°	94.1°
C10	C9	C8	H14	141.3°	143.6°
C2	C1	N	C11	178.5°	170.9°
C2	C1	N	C	3.2°	8.8°
C1	C2	C3	H4	115.2°	143.2°
C1	C2	H5	H18	122.1°	122.3°
C1	C2	C3	H17	124.7°	93.2°
C1	N	C11	C	178.3°	179.7°
C1	N	C11	C10	174.0°	170.7°
N	C1	C2	H5	59.8°	77.4°
C1	N	C	H6	180.0°	90.0°
C1	N	C	H7	60.0°	150.0°
N	C1	C2	H18	61.7°	44.8°
C1	N	C	H2	60.0°	30.1°
C11	N	C	H6	1.7°	89.7°
C11	N	C	H7	121.7°	30.3°
N	C11	C10	H9	73.8°	44.5°
N	C11	C10	H10	48.1°	77.5°
C11	N	C	H2	118.3°	150.2°
C10	C11	N	C	4.3°	9.0°
C11	C10	H9	H10	122.9°	122.0°
C11	C10	C9	H11	143.4°	93.2°
C11	C10	C9	H12	95.9°	143.2°
N	C	H6	H7	120.0°	120.0°
N	C	H6	H2	120.0°	120.1°
N	C	H7	H2	120.0°	120.0°
H3	C4	C3	H4	7.3°	24.1°
H3	C4	C3	H17	112.8°	147.8°
H4	C3	C2	H5	4.1°	24.2°
H4	C3	C4	H16	129.3°	98.1°
H4	C3	C2	H18	125.5°	97.8°
H5	C2	C3	H17	116.1°	147.9°
H6	C	H7	H2	120.0°	120.0°
H9	C10	C9	H11	24.4°	25.7°
H9	C10	C9	H12	145.1°	97.9°
H10	C10	C9	H11	97.6°	147.9°
H10	C10	C9	H12	23.1°	24.3°
H11	C9	C8	H13	22.9°	147.7°
H11	C9	C8	H14	99.1°	25.5°
H12	C9	C8	H13	143.6°	24.1°
H12	C9	C8	H14	21.6°	98.2°
H16	C4	C3	H17	9.1°	25.5°
H17	C3	C2	H18	5.4°	25.8°

Release date:	2014-08-06
Definition date:	2014-06-27
Last modified:	2014-08-01
Release status:	REL
Processing site:	RCSB
Derived from:	4QQ6