ATC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	doub	0.00Å	1.26Å
C1	C2	sing	0.00Å	1.39Å
C1	C1C	sing	0.00Å	1.54Å
C2	C21	sing	0.00Å	1.40Å
C2	C3	doub	0.00Å	1.39Å
C21	O21	doub	0.00Å	1.26Å
C21	N21	sing	0.00Å	1.37Å
N21	HN21	sing	0.00Å	1.02Å
N21	HN22	sing	0.00Å	1.02Å
C3	O3	sing	0.00Å	1.40Å
C3	C4	sing	0.00Å	1.53Å
O3	HO3	sing	0.00Å	0.95Å
C4	N4	sing	0.00Å	1.55Å
C4	C41	sing	0.00Å	1.56Å
C4	H4	sing	0.00Å	1.12Å
N4	C42	sing	0.00Å	1.57Å
N4	C43	sing	0.00Å	1.55Å
C42	H421	sing	0.00Å	1.11Å
C42	H422	sing	0.00Å	1.11Å
C42	H423	sing	0.00Å	1.11Å
C43	H431	sing	0.00Å	1.11Å
C43	H432	sing	0.00Å	1.12Å
C43	H433	sing	0.00Å	1.11Å
C41	C5	sing	0.00Å	1.51Å
C41	C1C	sing	0.00Å	1.53Å
C41	H41	sing	0.00Å	1.11Å
C5	C51	sing	0.00Å	1.51Å
C5	H51A	sing	0.00Å	1.12Å
C5	H52	sing	0.00Å	1.11Å
C51	C6	sing	0.00Å	1.54Å
C51	C1B	sing	0.00Å	1.58Å
C51	H51	sing	0.00Å	1.11Å
C6	C61	sing	0.00Å	1.55Å
C6	H61	sing	0.00Å	1.12Å
C6	H62	sing	0.00Å	1.11Å
C61	C7	doub	0.00Å	1.39Å	Aromatic
C61	C1A	sing	0.00Å	1.41Å	Aromatic
C7	C8	sing	0.00Å	1.40Å	Aromatic
C7	H7	sing	0.00Å	1.10Å
C8	C9	doub	0.00Å	1.40Å	Aromatic
C8	H8	sing	0.00Å	1.10Å
C9	C10	sing	0.00Å	1.41Å	Aromatic
C9	N9	sing	0.00Å	1.37Å
C10	O10	sing	0.00Å	1.42Å
C10	C1A	doub	0.00Å	1.42Å	Aromatic
O10	H10	sing	0.00Å	0.95Å
C1A	C11	sing	0.00Å	1.40Å
C11	O11	doub	0.00Å	1.23Å
C11	C1B	sing	0.00Å	1.43Å
C1B	C12	doub	0.00Å	1.41Å
C12	O12	sing	0.00Å	1.45Å
C12	C1C	sing	0.00Å	1.54Å
O12	HO2	sing	0.00Å	0.95Å
C1C	O1C	sing	0.00Å	1.43Å
O1C	HOC1	sing	0.00Å	0.95Å
N9	C91	sing	0.00Å	1.33Å
N9	HN9	sing	0.00Å	1.02Å
C91	O91	doub	0.00Å	1.24Å
C91	C92	sing	0.00Å	1.52Å
C92	N92	sing	0.00Å	1.60Å
C92	H921	sing	0.00Å	1.12Å
C92	H922	sing	0.00Å	1.11Å
N92	C93	sing	0.00Å	1.60Å
N92	C94	sing	0.00Å	1.60Å
C93	H931	sing	0.00Å	1.11Å
C93	H932	sing	0.00Å	1.11Å
C93	H933	sing	0.00Å	1.11Å
C94	H941	sing	0.00Å	1.11Å
C94	H942	sing	0.00Å	1.12Å
C94	H943	sing	0.00Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	123.9°	90.0°
O1	C1	C1C	116.2°	90.0°
C2	C1	C1C	118.3°	90.0°
C1	C2	C21	122.2°	90.0°
C1	C2	C3	115.2°	90.0°
C1	C1C	C41	107.9°	90.0°
C1	C1C	C12	113.9°	90.0°
C1	C1C	O1C	110.0°	90.0°
C21	C2	C3	122.5°	90.0°
C2	C21	O21	120.8°	90.0°
C2	C21	N21	123.4°	90.0°
C2	C3	O3	121.6°	90.0°
C2	C3	C4	122.2°	90.0°
O21	C21	N21	115.8°	90.0°
C21	N21	HN21	115.9°	90.0°
C21	N21	HN22	123.4°	90.0°
HN21	N21	HN22	120.7°	90.0°
O3	C3	C4	116.0°	90.0°
C3	O3	HO3	121.6°	90.0°
C3	C4	N4	105.9°	90.0°
C3	C4	C41	113.0°	90.0°
C3	C4	H4	111.2°	90.0°
N4	C4	C41	113.8°	90.0°
N4	C4	H4	110.4°	90.0°
C4	N4	C42	110.7°	90.0°
C4	N4	C43	114.8°	90.0°
C41	C4	H4	102.8°	90.0°
C4	C41	C5	111.4°	90.0°
C4	C41	C1C	112.3°	90.0°
C4	C41	H41	105.3°	90.0°
C42	N4	C43	113.0°	90.0°
N4	C42	H421	110.7°	90.0°
N4	C42	H422	111.7°	90.0°
N4	C42	H423	111.7°	90.0°
N4	C43	H431	114.8°	90.0°
N4	C43	H432	110.3°	90.0°
N4	C43	H433	110.3°	90.0°
H421	C42	H422	111.8°	90.0°
H421	C42	H423	111.8°	90.0°
H422	C42	H423	98.7°	90.0°
H431	C43	H432	110.2°	90.0°
H431	C43	H433	110.3°	90.0°
H432	C43	H433	100.0°	90.0°
C5	C41	C1C	106.7°	90.0°
C5	C41	H41	111.1°	90.0°
C41	C5	C51	115.5°	90.0°
C41	C5	H51A	110.0°	90.0°
C41	C5	H52	110.0°	90.0°
C1C	C41	H41	110.1°	90.0°
C41	C1C	C12	111.0°	90.0°
C41	C1C	O1C	107.5°	90.0°
C51	C5	H51A	110.0°	90.0°
C51	C5	H52	110.1°	90.0°
C5	C51	C6	115.8°	90.0°
C5	C51	C1B	112.0°	90.0°
C5	C51	H51	102.2°	90.0°
H51A	C5	H52	100.2°	90.0°
C6	C51	C1B	106.9°	90.0°
C6	C51	H51	107.9°	90.0°
C51	C6	C61	110.9°	90.0°
C51	C6	H61	111.6°	90.0°
C51	C6	H62	111.7°	90.0°
C1B	C51	H51	112.0°	90.0°
C51	C1B	C11	118.2°	90.0°
C51	C1B	C12	117.4°	90.0°
C61	C6	H61	111.7°	90.0°
C61	C6	H62	111.7°	90.0°
C6	C61	C7	117.6°	90.0°
C6	C61	C1A	121.2°	90.0°
H61	C6	H62	98.7°	90.0°
C7	C61	C1A	121.2°	90.0°
C61	C7	C8	119.5°	90.0°
C61	C7	H7	120.1°	90.0°
C61	C1A	C10	118.6°	90.0°
C61	C1A	C11	118.5°	90.0°
C8	C7	H7	120.4°	90.0°
C7	C8	C9	121.1°	90.0°
C7	C8	H8	119.1°	90.0°
C9	C8	H8	119.7°	90.0°
C8	C9	C10	119.1°	90.0°
C8	C9	N9	118.5°	90.0°
C10	C9	N9	122.2°	90.0°
C9	C10	O10	119.1°	90.0°
C9	C10	C1A	120.5°	90.0°
C9	N9	C91	124.3°	90.0°
C9	N9	HN9	119.4°	90.0°
O10	C10	C1A	120.4°	90.0°
C10	O10	H10	119.1°	90.0°
C10	C1A	C11	122.8°	90.0°
C1A	C11	O11	117.7°	90.0°
C1A	C11	C1B	122.4°	90.0°
O11	C11	C1B	119.5°	90.0°
C11	C1B	C12	124.2°	90.0°
C1B	C12	O12	121.9°	90.0°
C1B	C12	C1C	124.9°	90.0°
O12	C12	C1C	113.1°	90.0°
C12	O12	HO2	122.0°	90.0°
C12	C1C	O1C	106.4°	90.0°
C1C	O1C	HOC1	110.0°	90.0°
C91	N9	HN9	116.2°	90.0°
N9	C91	O91	121.4°	90.0°
N9	C91	C92	123.1°	90.0°
O91	C91	C92	115.5°	90.0°
C91	C92	N92	110.0°	90.0°
C91	C92	H921	112.0°	90.0°
C91	C92	H922	112.0°	90.0°
N92	C92	H921	112.0°	90.0°
N92	C92	H922	112.0°	90.0°
C92	N92	C93	115.6°	90.0°
C92	N92	C94	111.6°	90.0°
H921	C92	H922	98.4°	90.0°
C93	N92	C94	115.3°	90.0°
N92	C93	H931	115.5°	90.0°
N92	C93	H932	110.0°	90.0°
N92	C93	H933	109.9°	90.0°
N92	C94	H941	111.7°	90.0°
N92	C94	H942	111.4°	90.0°
N92	C94	H943	111.4°	90.0°
H931	C93	H932	110.0°	90.0°
H931	C93	H933	110.0°	90.0°
H932	C93	H933	100.3°	90.0°
H941	C94	H942	111.4°	90.0°
H941	C94	H943	111.4°	90.0°
H942	C94	H943	98.9°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	C1C	164.6°	90.0°
O1	C1	C2	C21	0.8°	90.0°
O1	C1	C2	C3	177.9°	90.0°
O1	C1	C1C	C41	137.7°	90.0°
O1	C1	C1C	C12	13.9°	90.0°
O1	C1	C1C	O1C	105.3°	90.0°
C1	C2	C21	C3	178.6°	90.0°
C1	C2	C21	O21	176.0°	90.0°
C1	C2	C21	N21	2.4°	90.0°
C1	C2	C3	O3	157.5°	90.0°
C1	C2	C3	C4	28.7°	90.0°
C2	C1	C1C	C41	56.5°	90.0°
C2	C1	C1C	C12	179.7°	90.0°
C2	C1	C1C	O1C	60.5°	90.0°
C1C	C1	C2	C21	163.8°	90.0°
C1C	C1	C2	C3	17.5°	90.0°
C1	C1C	C41	C4	48.7°	90.0°
C1	C1C	C41	C5	73.7°	90.0°
C1	C1C	C41	C12	125.5°	90.0°
C1	C1C	C41	O1C	118.6°	90.0°
C1	C1C	C41	H41	165.6°	90.0°
C1	C1C	C12	C1B	96.3°	90.0°
C1	C1C	C12	O12	87.1°	90.0°
C1	C1C	C12	O1C	121.3°	90.0°
C1	C1C	O1C	HOC1	180.0°	90.0°
C2	C21	O21	N21	178.4°	90.0°
C2	C21	N21	HN21	1.6°	90.0°
C2	C21	N21	HN22	180.0°	90.0°
C21	C2	C3	O3	23.7°	90.0°
C21	C2	C3	C4	150.1°	90.0°
C3	C2	C21	O21	5.4°	90.0°
C3	C2	C21	N21	176.3°	90.0°
C2	C3	O3	C4	174.2°	90.0°
C2	C3	O3	HO3	180.0°	90.0°
C2	C3	C4	N4	157.1°	90.0°
C2	C3	C4	C41	31.9°	90.0°
C2	C3	C4	H4	83.1°	90.0°
O21	C21	N21	HN21	180.0°	90.0°
O21	C21	N21	HN22	1.6°	90.0°
C21	N21	HN21	HN22	178.5°	90.0°
O3	C3	C4	N4	28.8°	90.0°
O3	C3	C4	C41	154.0°	90.0°
O3	C3	C4	H4	91.1°	90.0°
C4	C3	O3	HO3	5.8°	90.0°
C3	C4	N4	C41	124.7°	90.0°
C3	C4	N4	H4	120.4°	90.0°
C3	C4	C41	H4	119.9°	90.0°
C3	C4	N4	C42	173.0°	90.0°
C3	C4	N4	C43	57.6°	90.0°
C3	C4	C41	C5	109.3°	90.0°
C3	C4	C41	C1C	10.4°	90.0°
C3	C4	C41	H41	130.1°	90.0°
N4	C4	C41	H4	119.3°	90.0°
C4	N4	C42	C43	130.3°	90.0°
C4	N4	C42	H421	180.0°	90.0°
C4	N4	C42	H422	54.7°	90.0°
C4	N4	C42	H423	54.7°	90.0°
C4	N4	C43	H431	180.0°	90.0°
C4	N4	C43	H432	54.7°	90.0°
C4	N4	C43	H433	54.7°	90.0°
N4	C4	C41	C5	129.9°	90.0°
N4	C4	C41	C1C	110.4°	90.0°
N4	C4	C41	H41	9.4°	90.0°
C41	C4	N4	C42	62.3°	90.0°
C41	C4	N4	C43	67.0°	90.0°
C4	C41	C5	C1C	123.0°	90.0°
C4	C41	C5	H41	117.0°	90.0°
C4	C41	C1C	H41	117.0°	90.0°
C4	C41	C5	C51	171.2°	90.0°
C4	C41	C5	H51A	63.5°	90.0°
C4	C41	C5	H52	45.9°	90.0°
C4	C41	C1C	C12	174.2°	90.0°
C4	C41	C1C	O1C	69.9°	90.0°
H4	C4	N4	C42	52.7°	90.0°
H4	C4	N4	C43	178.0°	90.0°
H4	C4	C41	C5	10.6°	90.0°
H4	C4	C41	C1C	130.3°	90.0°
H4	C4	C41	H41	109.9°	90.0°
N4	C42	H421	H422	125.2°	90.0°
N4	C42	H421	H423	125.2°	90.0°
N4	C42	H422	H423	117.6°	90.0°
C42	N4	C43	H431	51.8°	90.0°
C42	N4	C43	H432	177.1°	90.0°
C42	N4	C43	H433	73.5°	90.0°
C43	N4	C42	H421	49.7°	90.0°
C43	N4	C42	H422	75.6°	90.0°
C43	N4	C42	H423	174.9°	90.0°
N4	C43	H431	H432	125.3°	90.0°
N4	C43	H431	H433	125.3°	90.0°
N4	C43	H432	H433	116.1°	90.0°
H421	C42	H422	H423	117.7°	90.0°
H431	C43	H432	H433	116.1°	90.0°
C5	C41	C1C	H41	120.6°	90.0°
C41	C5	C51	H51A	125.2°	90.0°
C41	C5	C51	H52	125.3°	90.0°
C41	C5	H51A	H52	115.8°	90.0°
C41	C5	C51	C6	168.6°	90.0°
C41	C5	C51	C1B	45.7°	90.0°
C41	C5	C51	H51	74.4°	90.0°
C5	C41	C1C	C12	51.8°	90.0°
C5	C41	C1C	O1C	167.7°	90.0°
C1C	C41	C5	C51	65.8°	90.0°
C1C	C41	C5	H51A	59.5°	90.0°
C1C	C41	C5	H52	168.9°	90.0°
C41	C1C	C12	C1B	25.8°	90.0°
C41	C1C	C12	O12	150.8°	90.0°
C41	C1C	C12	O1C	116.6°	90.0°
C41	C1C	O1C	HOC1	62.7°	90.0°
H41	C41	C5	C51	54.2°	90.0°
H41	C41	C5	H51A	179.4°	90.0°
H41	C41	C5	H52	71.1°	90.0°
H41	C41	C1C	C12	68.9°	90.0°
H41	C41	C1C	O1C	47.1°	90.0°
C51	C5	H51A	H52	115.9°	90.0°
C5	C51	C6	C1B	125.6°	90.0°
C5	C51	C6	H51	113.8°	90.0°
C5	C51	C1B	H51	114.2°	90.0°
C5	C51	C6	C61	176.8°	90.0°
C5	C51	C6	H61	51.6°	90.0°
C5	C51	C6	H62	57.9°	90.0°
C5	C51	C1B	C11	169.9°	90.0°
C5	C51	C1B	C12	14.0°	90.0°
H51A	C5	C51	C6	43.4°	90.0°
H51A	C5	C51	C1B	79.5°	90.0°
H51A	C5	C51	H51	160.4°	90.0°
H52	C5	C51	C6	66.1°	90.0°
H52	C5	C51	C1B	171.0°	90.0°
H52	C5	C51	H51	50.9°	90.0°
C6	C51	C1B	H51	118.0°	90.0°
C51	C6	C61	H61	125.2°	90.0°
C51	C6	C61	H62	125.3°	90.0°
C51	C6	H61	H62	117.6°	90.0°
C51	C6	C61	C7	148.4°	90.0°
C51	C6	C61	C1A	34.0°	90.0°
C6	C51	C1B	C11	42.1°	90.0°
C6	C51	C1B	C12	141.9°	90.0°
C1B	C51	C6	C61	51.2°	90.0°
C1B	C51	C6	H61	74.0°	90.0°
C1B	C51	C6	H62	176.6°	90.0°
C51	C1B	C11	C1A	9.2°	90.0°
C51	C1B	C11	O11	164.0°	90.0°
C51	C1B	C11	C12	175.8°	90.0°
C51	C1B	C12	O12	170.5°	90.0°
C51	C1B	C12	C1C	5.7°	90.0°
H51	C51	C6	C61	69.4°	90.0°
H51	C51	C6	H61	165.4°	90.0°
H51	C51	C6	H62	55.9°	90.0°
H51	C51	C1B	C11	75.9°	90.0°
H51	C51	C1B	C12	100.2°	90.0°
C61	C6	H61	H62	117.6°	90.0°
C6	C61	C7	C1A	177.6°	90.0°
C6	C61	C7	C8	176.8°	90.0°
C6	C61	C7	H7	3.1°	90.0°
C6	C61	C1A	C10	176.4°	90.0°
C6	C61	C1A	C11	0.8°	90.0°
H61	C6	C61	C7	86.4°	90.0°
H61	C6	C61	C1A	91.2°	90.0°
H62	C6	C61	C7	23.1°	90.0°
H62	C6	C61	C1A	159.3°	90.0°
C61	C7	C8	H7	180.0°	90.0°
C61	C7	C8	C9	0.2°	90.0°
C61	C7	C8	H8	179.8°	90.0°
C7	C61	C1A	C10	1.1°	90.0°
C7	C61	C1A	C11	176.7°	90.0°
C1A	C61	C7	C8	0.8°	90.0°
C1A	C61	C7	H7	179.3°	90.0°
C61	C1A	C10	C9	0.4°	90.0°
C61	C1A	C10	O10	179.0°	90.0°
C61	C1A	C10	C11	175.4°	90.0°
C61	C1A	C11	O11	172.6°	90.0°
C61	C1A	C11	C1B	14.0°	90.0°
C7	C8	C9	H8	180.0°	90.0°
C7	C8	C9	C10	0.8°	90.0°
C7	C8	C9	N9	175.2°	90.0°
H7	C7	C8	C9	179.8°	90.0°
H7	C7	C8	H8	0.2°	90.0°
C8	C9	C10	N9	175.9°	90.0°
C8	C9	C10	O10	178.1°	90.0°
C8	C9	C10	C1A	0.5°	90.0°
C8	C9	N9	C91	103.2°	90.0°
C8	C9	N9	HN9	76.9°	90.0°
H8	C8	C9	C10	179.2°	90.0°
H8	C8	C9	N9	4.8°	90.0°
C9	C10	O10	C1A	178.6°	90.0°
C9	C10	O10	H10	179.9°	90.0°
C9	C10	C1A	C11	175.9°	90.0°
C10	C9	N9	C91	80.9°	90.0°
C10	C9	N9	HN9	99.0°	90.0°
N9	C9	C10	O10	6.0°	90.0°
N9	C9	C10	C1A	175.3°	90.0°
C9	N9	C91	HN9	180.0°	90.0°
C9	N9	C91	O91	21.0°	90.0°
C9	N9	C91	C92	157.0°	90.0°
O10	C10	C1A	C11	5.5°	90.0°
C1A	C10	O10	H10	1.4°	90.0°
C10	C1A	C11	O11	2.9°	90.0°
C10	C1A	C11	C1B	170.5°	90.0°
C1A	C11	O11	C1B	173.6°	90.0°
C1A	C11	C1B	C12	175.0°	90.0°
O11	C11	C1B	C12	11.7°	90.0°
C11	C1B	C12	O12	5.3°	90.0°
C11	C1B	C12	C1C	178.5°	90.0°
C1B	C12	O12	C1C	176.7°	90.0°
C1B	C12	O12	HO2	179.9°	90.0°
C1B	C12	C1C	O1C	142.4°	90.0°
O12	C12	C1C	O1C	34.2°	90.0°
C1C	C12	O12	HO2	3.4°	90.0°
C12	C1C	O1C	HOC1	56.2°	90.0°
N9	C91	O91	C92	178.1°	90.0°
N9	C91	C92	N92	133.5°	90.0°
N9	C91	C92	H921	8.2°	90.0°
N9	C91	C92	H922	101.2°	90.0°
HN9	N9	C91	O91	159.0°	90.0°
HN9	N9	C91	C92	23.0°	90.0°
O91	C91	C92	N92	44.6°	90.0°
O91	C91	C92	H921	169.9°	90.0°
O91	C91	C92	H922	80.7°	90.0°
C91	C92	N92	H921	125.2°	90.0°
C91	C92	N92	H922	125.3°	90.0°
C91	C92	H921	H922	117.9°	90.0°
C91	C92	N92	C93	77.1°	90.0°
C91	C92	N92	C94	57.3°	90.0°
N92	C92	H921	H922	117.9°	90.0°
C92	N92	C93	C94	132.7°	90.0°
C92	N92	C93	H931	180.0°	90.0°
C92	N92	C93	H932	54.8°	90.0°
C92	N92	C93	H933	54.8°	90.0°
C92	N92	C94	H941	180.0°	90.0°
C92	N92	C94	H942	54.7°	90.0°
C92	N92	C94	H943	54.7°	90.0°
H921	C92	N92	C93	157.7°	90.0°
H921	C92	N92	C94	68.0°	90.0°
H922	C92	N92	C93	48.2°	90.0°
H922	C92	N92	C94	177.4°	90.0°
N92	C93	H931	H932	125.2°	90.0°
N92	C93	H931	H933	125.2°	90.0°
N92	C93	H932	H933	115.8°	90.0°
C93	N92	C94	H941	45.5°	90.0°
C93	N92	C94	H942	79.8°	90.0°
C93	N92	C94	H943	170.8°	90.0°
C94	N92	C93	H931	47.3°	90.0°
C94	N92	C93	H932	172.6°	90.0°
C94	N92	C93	H933	77.9°	90.0°
N92	C94	H941	H942	125.3°	90.0°
N92	C94	H941	H943	125.3°	90.0°
N92	C94	H942	H943	117.3°	90.0°
H931	C93	H932	H933	115.9°	90.0°
H941	C94	H942	H943	117.2°	90.0°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1ORK