2XY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C3	sing	0.00Å	1.52Å
C4	N1	sing	0.00Å	1.44Å
C4	H4	sing	0.00Å	1.10Å
C4	H4A	sing	0.00Å	1.10Å
C1	C2	sing	0.00Å	1.53Å
C1	N1	sing	0.00Å	1.43Å
C1	H1	sing	0.00Å	1.10Å
C1	H1A	sing	0.00Å	1.10Å
C2	O1	sing	0.00Å	1.41Å
C2	H2	sing	0.00Å	1.10Å
C2	H2A	sing	0.00Å	1.10Å
O2	N3	sing	0.00Å	1.19Å
C3	O1	sing	0.00Å	1.40Å
C3	H3	sing	0.00Å	1.10Å
C3	H3A	sing	0.00Å	1.10Å
O3	N3	doub	0.00Å	1.18Å
C5	N2	sing	0.00Å	1.44Å
C5	C6	doub	0.00Å	1.33Å
C5	C11	sing	0.00Å	1.51Å
N1	N2	sing	0.00Å	1.41Å
N2	HN2	sing	0.00Å	1.00Å
C6	C7	sing	0.00Å	1.51Å
C6	H6	sing	0.00Å	1.08Å
C7	C8	doub	0.00Å	1.33Å
C7	H7	sing	0.00Å	1.08Å
C8	C9	sing	0.00Å	1.52Å
C8	C10	sing	0.00Å	1.52Å
C9	F2	sing	0.00Å	1.36Å
C9	F3	sing	0.00Å	1.36Å
C9	F1	sing	0.00Å	1.33Å
C10	C11	doub	0.00Å	1.31Å
C10	H10	sing	0.00Å	1.08Å
C11	N3	sing	0.00Å	1.47Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C4	N1	109.2°	90.0°
C3	C4	H4	109.5°	90.0°
C3	C4	H4A	109.6°	90.0°
C4	C3	O1	112.9°	90.0°
C4	C3	H3	108.3°	90.0°
C4	C3	H3A	107.6°	90.0°
N1	C4	H4	109.6°	90.0°
N1	C4	H4A	109.6°	90.0°
C4	N1	C1	115.3°	90.0°
C4	N1	N2	111.1°	90.0°
H4	C4	H4A	109.3°	90.0°
C2	C1	N1	107.8°	90.0°
C2	C1	H1	110.0°	90.0°
C2	C1	H1A	110.4°	90.0°
C1	C2	O1	110.3°	90.0°
C1	C2	H2	109.2°	90.0°
C1	C2	H2A	109.0°	90.0°
N1	C1	H1	110.0°	90.0°
N1	C1	H1A	110.4°	90.0°
C1	N1	N2	111.1°	90.0°
H1	C1	H1A	108.2°	90.0°
O1	C2	H2	109.2°	90.0°
O1	C2	H2A	109.1°	90.0°
C2	O1	C3	113.4°	90.0°
H2	C2	H2A	110.1°	90.0°
O2	N3	O3	117.0°	90.0°
O2	N3	C11	123.8°	90.0°
O1	C3	H3	108.3°	90.0°
O1	C3	H3A	107.5°	90.0°
H3	C3	H3A	112.2°	90.0°
O3	N3	C11	117.8°	90.0°
N2	C5	C6	120.6°	90.0°
N2	C5	C11	116.7°	90.0°
C5	N2	N1	117.4°	90.0°
C5	N2	HN2	106.9°	90.0°
C6	C5	C11	122.6°	90.0°
C5	C6	C7	118.0°	90.0°
C5	C6	H6	121.0°	90.0°
C5	C11	C10	119.4°	90.0°
C5	C11	N3	118.5°	90.0°
N1	N2	HN2	106.9°	90.0°
C7	C6	H6	121.0°	90.0°
C6	C7	C8	118.9°	90.0°
C6	C7	H7	120.5°	90.0°
C8	C7	H7	120.5°	90.0°
C7	C8	C9	121.0°	90.0°
C7	C8	C10	122.5°	90.0°
C9	C8	C10	116.5°	90.0°
C8	C9	F2	109.4°	90.0°
C8	C9	F3	110.1°	90.0°
C8	C9	F1	109.5°	90.0°
C8	C10	C11	118.5°	90.0°
C8	C10	H10	120.8°	90.0°
F2	C9	F3	111.4°	90.0°
F2	C9	F1	107.0°	90.0°
F3	C9	F1	109.3°	90.0°
C11	C10	H10	120.8°	90.0°
C10	C11	N3	122.0°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C4	N1	H4	120.0°	90.0°
C3	C4	N1	H4A	120.1°	90.0°
C3	C4	H4	H4A	120.1°	90.0°
C3	C4	N1	C1	52.5°	90.0°
C4	C3	O1	C2	54.3°	90.0°
C4	C3	O1	H3	120.0°	90.0°
C4	C3	O1	H3A	118.5°	90.0°
C4	C3	H3	H3A	118.6°	90.0°
C3	C4	N1	N2	180.0°	90.0°
N1	C4	H4	H4A	120.1°	90.0°
C4	N1	C1	C2	56.7°	90.0°
C4	N1	C1	N2	127.5°	90.0°
C4	N1	C1	H1	176.7°	90.0°
C4	N1	C1	H1A	64.0°	90.0°
N1	C4	C3	O1	48.9°	90.0°
N1	C4	C3	H3	71.1°	90.0°
N1	C4	C3	H3A	167.5°	90.0°
C4	N1	N2	C5	130.4°	90.0°
C4	N1	N2	HN2	10.4°	90.0°
H4	C4	N1	C1	67.5°	90.0°
H4	C4	C3	O1	71.1°	90.0°
H4	C4	C3	H3	168.9°	90.0°
H4	C4	C3	H3A	47.4°	90.0°
H4	C4	N1	N2	60.0°	90.0°
H4A	C4	N1	C1	172.6°	90.0°
H4A	C4	C3	O1	169.0°	90.0°
H4A	C4	C3	H3	49.0°	90.0°
H4A	C4	C3	H3A	72.5°	90.0°
H4A	C4	N1	N2	59.9°	90.0°
C2	C1	N1	H1	120.0°	90.0°
C2	C1	N1	H1A	120.7°	90.0°
C2	C1	H1	H1A	120.7°	90.0°
C1	C2	O1	H2	120.0°	90.0°
C1	C2	O1	H2A	119.7°	90.0°
C1	C2	H2	H2A	119.6°	90.0°
C1	C2	O1	C3	58.1°	90.0°
C2	C1	N1	N2	175.8°	90.0°
N1	C1	H1	H1A	120.7°	90.0°
N1	C1	C2	O1	57.0°	90.0°
N1	C1	C2	H2	177.0°	90.0°
N1	C1	C2	H2A	62.7°	90.0°
C1	N1	N2	C5	99.9°	90.0°
C1	N1	N2	HN2	140.1°	90.0°
H1	C1	C2	O1	177.0°	90.0°
H1	C1	C2	H2	63.0°	90.0°
H1	C1	C2	H2A	57.3°	90.0°
H1	C1	N1	N2	55.8°	90.0°
H1A	C1	C2	O1	63.7°	90.0°
H1A	C1	C2	H2	56.3°	90.0°
H1A	C1	C2	H2A	176.6°	90.0°
H1A	C1	N1	N2	63.5°	90.0°
O1	C2	H2	H2A	119.7°	90.0°
C2	O1	C3	H3	65.7°	90.0°
C2	O1	C3	H3A	172.8°	90.0°
H2	C2	O1	C3	178.1°	90.0°
H2A	C2	O1	C3	61.6°	90.0°
O2	N3	O3	C11	166.9°	90.0°
O2	N3	C11	C5	175.7°	90.0°
O2	N3	C11	C10	5.1°	90.0°
O1	C3	H3	H3A	118.6°	90.0°
O3	N3	C11	C5	9.8°	90.0°
O3	N3	C11	C10	171.0°	90.0°
N2	C5	C6	C11	176.4°	90.0°
C5	N2	N1	HN2	120.0°	90.0°
N2	C5	C6	C7	175.4°	90.0°
N2	C5	C6	H6	4.6°	90.0°
N2	C5	C11	C10	176.6°	90.0°
N2	C5	C11	N3	2.6°	90.0°
C6	C5	N2	N1	1.6°	90.0°
C6	C5	N2	HN2	118.4°	90.0°
C5	C6	C7	H6	180.0°	90.0°
C5	C6	C7	C8	0.9°	90.0°
C5	C6	C7	H7	179.1°	90.0°
C6	C5	C11	C10	0.1°	90.0°
C6	C5	C11	N3	179.2°	90.0°
C11	C5	N2	N1	175.0°	90.0°
C11	C5	N2	HN2	65.0°	90.0°
C11	C5	C6	C7	1.0°	90.0°
C11	C5	C6	H6	179.0°	90.0°
C5	C11	C10	C8	1.2°	90.0°
C5	C11	C10	N3	179.2°	90.0°
C5	C11	C10	H10	178.8°	90.0°
C6	C7	C8	H7	180.0°	90.0°
C6	C7	C8	C9	179.1°	90.0°
C6	C7	C8	C10	0.3°	90.0°
H6	C6	C7	C8	179.1°	90.0°
H6	C6	C7	H7	0.9°	90.0°
C7	C8	C9	C10	178.9°	90.0°
C7	C8	C9	F2	150.8°	90.0°
C7	C8	C9	F3	86.4°	90.0°
C7	C8	C9	F1	33.9°	90.0°
C7	C8	C10	C11	1.4°	90.0°
C7	C8	C10	H10	178.6°	90.0°
H7	C7	C8	C9	0.9°	90.0°
H7	C7	C8	C10	179.7°	90.0°
C8	C9	F2	F3	122.0°	90.0°
C8	C9	F2	F1	118.6°	90.0°
C8	C9	F3	F1	120.4°	90.0°
C9	C8	C10	C11	179.7°	90.0°
C9	C8	C10	H10	0.3°	90.0°
C10	C8	C9	F2	28.1°	90.0°
C10	C8	C9	F3	94.7°	90.0°
C10	C8	C9	F1	145.1°	90.0°
C8	C10	C11	H10	180.0°	90.0°
C8	C10	C11	N3	177.9°	90.0°
F2	C9	F3	F1	118.0°	90.0°
H10	C10	C11	N3	2.1°	90.0°

Definition date:	2008-10-31
Last modified:	2012-01-05
Release status:	REL
Processing site:	RCSB
Derived from:	3F1O