OMM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.37Å	1.37Å	Aromatic
N1	C4	sing	1.38Å	1.36Å	Aromatic
N1	C7	sing	1.47Å	1.47Å
C2	N3	doub	1.31Å	1.30Å	Aromatic
C2	C14	sing	1.48Å	1.48Å	Aromatic
N3	C5	sing	1.36Å	1.34Å	Aromatic
C4	C5	doub	1.41Å	1.41Å	Aromatic
C4	C8	sing	1.39Å	1.38Å	Aromatic
C5	C10	sing	1.40Å	1.40Å	Aromatic
C6	C7	sing	1.51Å	1.50Å
C6	N9	sing	1.35Å	1.36Å
C6	O19	doub	1.21Å	1.22Å
C7	C23	sing	1.53Å	1.55Å
C8	C11	doub	1.38Å	1.37Å	Aromatic
N9	C12	sing	1.39Å	1.40Å
C10	C15	doub	1.38Å	1.38Å	Aromatic
C11	C15	sing	1.39Å	1.39Å	Aromatic
C11	F26	sing	1.35Å	1.35Å
C12	C17	doub	1.39Å	1.38Å	Aromatic
C12	C21	sing	1.39Å	1.40Å	Aromatic
C13	C16	sing	1.47Å	1.49Å
C13	O20	doub	1.22Å	1.19Å
C13	O29	sing	1.35Å	1.35Å
C14	C24	doub	1.40Å	1.39Å	Aromatic
C14	C25	sing	1.40Å	1.40Å	Aromatic
C15	F27	sing	1.35Å	1.34Å
C16	C18	doub	1.40Å	1.40Å	Aromatic
C16	C22	sing	1.40Å	1.40Å	Aromatic
C17	C18	sing	1.38Å	1.39Å	Aromatic
C17	F28	sing	1.35Å	1.35Å
C21	C22	doub	1.38Å	1.39Å	Aromatic
C23	C34	sing	1.53Å	1.54Å
C23	C35	sing	1.53Å	1.54Å
C24	C32	sing	1.38Å	1.37Å	Aromatic
C25	C31	doub	1.38Å	1.38Å	Aromatic
C30	C31	sing	1.38Å	1.39Å	Aromatic
C30	C32	doub	1.38Å	1.39Å	Aromatic
C30	CL33	sing	1.74Å	1.75Å
C34	C37	sing	1.53Å	1.54Å
C35	C36	sing	1.53Å	1.54Å
C36	C38	sing	1.53Å	1.54Å
C37	C38	sing	1.53Å	1.54Å
C7	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.08Å	1.08Å
N9	HN9	sing	0.97Å	1.00Å
C10	H10	sing	1.08Å	1.08Å
C18	H18	sing	1.08Å	1.08Å
C21	H21	sing	1.08Å	1.08Å
C22	H22	sing	1.08Å	1.08Å
C23	H23	sing	1.09Å	1.10Å
C24	H24	sing	1.08Å	1.08Å
C25	H25	sing	1.08Å	1.08Å
C31	H31	sing	1.08Å	1.08Å
C32	H32	sing	1.08Å	1.08Å
C34	H34	sing	1.09Å	1.10Å
C34	H34A	sing	1.09Å	1.10Å
C35	H35	sing	1.09Å	1.10Å
C35	H35A	sing	1.09Å	1.10Å
C36	H36	sing	1.09Å	1.10Å
C36	H36A	sing	1.09Å	1.10Å
C37	H37	sing	1.09Å	1.10Å
C37	H37A	sing	1.09Å	1.10Å
C38	H38	sing	1.09Å	1.10Å
C38	H38A	sing	1.09Å	1.10Å
O29	H29	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C4	106.9°	107.2°
C2	N1	C7	126.5°	126.4°
N1	C2	N3	109.9°	109.8°
N1	C2	C14	123.4°	125.1°
C4	N1	C7	126.5°	126.4°
N1	C4	C5	106.3°	106.2°
N1	C4	C8	132.1°	133.8°
N1	C7	C6	109.7°	109.4°
N1	C7	C23	109.6°	109.5°
N1	C7	H7	110.8°	109.5°
N3	C2	C14	126.7°	125.1°
C2	N3	C5	109.4°	109.7°
C2	C14	C24	119.6°	120.1°
C2	C14	C25	120.3°	120.1°
N3	C5	C4	107.5°	107.1°
N3	C5	C10	133.7°	133.3°
C5	C4	C8	121.6°	120.0°
C4	C5	C10	118.8°	119.5°
C4	C8	C11	118.9°	119.8°
C4	C8	H8	120.5°	120.1°
C5	C10	C15	118.5°	119.8°
C5	C10	H10	120.8°	120.1°
C7	C6	N9	117.3°	120.0°
C7	C6	O19	120.0°	120.0°
C6	C7	C23	113.6°	109.5°
C6	C7	H7	106.5°	109.4°
N9	C6	O19	122.7°	120.0°
C6	N9	C12	125.0°	120.0°
C6	N9	HN9	117.5°	120.0°
C7	C23	C34	110.5°	109.5°
C7	C23	C35	109.2°	109.5°
C23	C7	H7	106.6°	109.5°
C7	C23	H23	108.6°	109.5°
C8	C11	C15	120.0°	120.4°
C8	C11	F26	118.4°	119.8°
C11	C8	H8	120.5°	120.1°
N9	C12	C17	120.7°	119.9°
N9	C12	C21	119.6°	119.9°
C12	N9	HN9	117.5°	120.0°
C10	C15	C11	122.1°	120.4°
C10	C15	F27	119.3°	119.8°
C15	C10	H10	120.8°	120.1°
C15	C11	F26	121.5°	119.8°
C11	C15	F27	118.6°	119.8°
C17	C12	C21	119.7°	120.2°
C12	C17	C18	120.6°	120.0°
C12	C17	F28	119.0°	120.0°
C12	C21	C22	119.4°	120.1°
C12	C21	H21	120.3°	120.0°
C16	C13	O20	118.6°	120.0°
C16	C13	O29	123.4°	120.0°
C13	C16	C18	119.7°	120.1°
C13	C16	C22	121.7°	120.1°
O20	C13	O29	118.0°	120.0°
C13	O29	H29	109.5°	117.0°
C24	C14	C25	119.8°	119.7°
C14	C24	C32	119.3°	119.9°
C14	C24	H24	120.3°	120.0°
C14	C25	C31	120.1°	119.9°
C14	C25	H25	120.0°	120.0°
C18	C16	C22	118.5°	119.8°
C16	C18	C17	120.4°	119.9°
C16	C18	H18	119.8°	120.0°
C16	C22	C21	121.2°	120.0°
C16	C22	H22	119.4°	119.9°
C18	C17	F28	120.2°	120.0°
C17	C18	H18	119.8°	120.1°
C22	C21	H21	120.3°	119.9°
C21	C22	H22	119.4°	120.1°
C34	C23	C35	108.2°	109.5°
C23	C34	C37	111.8°	109.5°
C34	C23	H23	109.6°	109.4°
C23	C34	H34	108.7°	109.5°
C23	C34	H34A	108.7°	109.4°
C23	C35	C36	109.7°	109.5°
C35	C23	H23	110.8°	109.5°
C23	C35	H35	109.4°	109.5°
C23	C35	H35A	109.4°	109.5°
C24	C32	C30	121.4°	120.1°
C32	C24	H24	120.4°	120.1°
C24	C32	H32	119.3°	119.9°
C25	C31	C30	119.7°	120.1°
C31	C25	H25	120.0°	120.0°
C25	C31	H31	120.1°	119.9°
C31	C30	C32	119.5°	120.3°
C31	C30	CL33	121.4°	119.9°
C30	C31	H31	120.2°	120.0°
C32	C30	CL33	118.9°	119.9°
C30	C32	H32	119.3°	119.9°
C34	C37	C38	109.3°	109.5°
C37	C34	H34	108.7°	109.5°
C37	C34	H34A	108.7°	109.5°
C34	C37	H37	109.5°	109.5°
C34	C37	H37A	109.5°	109.5°
C35	C36	C38	106.9°	109.4°
C36	C35	H35	109.4°	109.5°
C36	C35	H35A	109.4°	109.4°
C35	C36	H36	110.3°	109.5°
C35	C36	H36A	110.3°	109.5°
C36	C38	C37	109.5°	109.5°
C38	C36	H36	110.4°	109.5°
C38	C36	H36A	110.4°	109.5°
C36	C38	H38	109.5°	109.5°
C36	C38	H38A	109.5°	109.5°
C38	C37	H37	109.5°	109.4°
C38	C37	H37A	109.5°	109.5°
C37	C38	H38	109.4°	109.4°
C37	C38	H38A	109.4°	109.5°
H34	C34	H34A	110.2°	109.5°
H35	C35	H35A	109.5°	109.5°
H36	C36	H36A	108.6°	109.5°
H37	C37	H37A	109.5°	109.5°
H38	C38	H38A	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N1	C4	C7	178.3°	179.7°
N1	C2	N3	C14	178.6°	180.0°
N1	C2	N3	C5	0.6°	0.0°
C2	N1	C4	C5	0.4°	0.0°
C2	N1	C4	C8	179.0°	180.0°
C2	N1	C7	C6	124.3°	67.4°
C2	N1	C7	C23	110.3°	172.6°
N1	C2	C14	C24	108.2°	146.9°
N1	C2	C14	C25	65.2°	33.3°
C2	N1	C7	H7	7.1°	52.5°
C4	N1	C2	N3	0.6°	0.0°
C4	N1	C2	C14	178.0°	180.0°
N1	C4	C5	N3	0.0°	0.0°
N1	C4	C5	C8	178.8°	180.0°
N1	C4	C5	C10	179.1°	180.0°
C4	N1	C7	C6	57.7°	112.3°
C4	N1	C7	C23	67.7°	7.7°
N1	C4	C8	C11	178.4°	180.0°
C4	N1	C7	H7	175.0°	127.8°
N1	C4	C8	H8	1.6°	0.0°
C7	N1	C2	N3	177.7°	179.7°
C7	N1	C2	C14	3.7°	0.3°
C7	N1	C4	C5	177.9°	179.7°
C7	N1	C4	C8	0.7°	0.2°
N1	C7	C6	C23	123.0°	120.0°
N1	C7	C6	H7	120.0°	120.0°
N1	C7	C6	N9	36.7°	148.9°
N1	C7	C6	O19	142.6°	31.2°
N1	C7	C23	H7	120.0°	120.0°
N1	C7	C23	C34	166.0°	176.2°
N1	C7	C23	C35	47.0°	63.7°
N1	C7	C23	H23	73.9°	56.3°
C2	N3	C5	C4	0.4°	0.0°
C2	N3	C5	C10	179.2°	180.0°
N3	C2	C14	C24	73.4°	33.1°
N3	C2	C14	C25	113.3°	146.6°
C14	C2	N3	C5	178.0°	180.0°
C2	C14	C24	C25	173.4°	179.7°
C2	C14	C24	C32	177.3°	180.0°
C2	C14	C25	C31	175.5°	180.0°
C2	C14	C24	H24	2.7°	0.0°
C2	C14	C25	H25	4.4°	0.0°
N3	C5	C4	C10	179.1°	179.9°
N3	C5	C4	C8	178.8°	180.0°
N3	C5	C10	C15	179.5°	180.0°
N3	C5	C10	H10	0.5°	0.0°
C5	C4	C8	C11	0.1°	0.0°
C4	C5	C10	C15	0.7°	0.0°
C5	C4	C8	H8	179.9°	180.0°
C4	C5	C10	H10	179.3°	179.9°
C8	C4	C5	C10	0.2°	0.1°
C4	C8	C11	H8	180.0°	180.0°
C4	C8	C11	C15	1.3°	0.0°
C4	C8	C11	F26	179.1°	180.0°
C5	C10	C15	H10	180.0°	180.0°
C5	C10	C15	C11	2.1°	0.0°
C5	C10	C15	F27	179.7°	180.0°
C7	C6	N9	O19	179.3°	180.0°
C6	C7	C23	H7	117.0°	120.0°
C7	C6	N9	C12	176.5°	176.7°
C6	C7	C23	C34	71.0°	56.2°
C6	C7	C23	C35	170.1°	176.3°
C7	C6	N9	HN9	3.5°	3.3°
C6	C7	C23	H23	49.2°	63.7°
N9	C6	C7	C23	159.7°	91.1°
C6	N9	C12	HN9	180.0°	180.0°
C6	N9	C12	C17	75.5°	150.2°
C6	N9	C12	C21	101.8°	29.5°
N9	C6	C7	H7	83.3°	28.9°
O19	C6	C7	C23	19.6°	88.9°
O19	C6	N9	C12	2.8°	3.2°
O19	C6	C7	H7	97.4°	151.1°
O19	C6	N9	HN9	177.2°	176.8°
C7	C23	C34	C35	119.5°	120.0°
C7	C23	C34	H23	119.6°	120.0°
C7	C23	C35	H23	119.5°	120.0°
C7	C23	C34	C37	176.6°	180.0°
C7	C23	C35	C36	178.5°	180.0°
C7	C23	C34	H34	63.4°	60.0°
C7	C23	C34	H34A	56.6°	60.0°
C7	C23	C35	H35	61.4°	60.0°
C7	C23	C35	H35A	58.5°	60.0°
C8	C11	C15	C10	2.4°	0.0°
C8	C11	C15	F26	179.6°	179.9°
C8	C11	C15	F27	179.4°	180.0°
N9	C12	C17	C21	177.3°	179.7°
N9	C12	C17	C18	177.8°	180.0°
N9	C12	C17	F28	1.6°	0.1°
N9	C12	C21	C22	179.8°	180.0°
N9	C12	C21	H21	0.2°	0.0°
C10	C15	C11	F27	178.2°	180.0°
C10	C15	C11	F26	178.0°	180.0°
C15	C11	C8	H8	178.7°	180.0°
C11	C15	C10	H10	177.9°	180.0°
F26	C11	C15	F27	0.2°	0.1°
F26	C11	C8	H8	0.9°	0.0°
C12	C17	C18	C16	0.4°	0.1°
C12	C17	C18	F28	176.2°	179.9°
C17	C12	C21	C22	2.5°	0.3°
C17	C12	N9	HN9	104.5°	29.7°
C12	C17	C18	H18	179.7°	180.0°
C17	C12	C21	H21	177.6°	179.7°
C12	C21	C22	C16	3.7°	0.0°
C21	C12	C17	C18	0.5°	0.3°
C21	C12	C17	F28	175.7°	179.8°
C12	C21	C22	H21	180.0°	180.0°
C21	C12	N9	HN9	78.2°	150.5°
C12	C21	C22	H22	176.3°	179.8°
C16	C13	O20	O29	178.4°	180.0°
C13	C16	C18	C22	178.3°	179.8°
C13	C16	C18	C17	179.0°	180.0°
C13	C16	C22	C21	179.0°	180.0°
C13	C16	C18	H18	0.9°	0.1°
C13	C16	C22	H22	1.0°	0.2°
C16	C13	O29	H29	178.3°	180.0°
O20	C13	C16	C18	0.7°	0.1°
O20	C13	C16	C22	178.9°	179.8°
O20	C13	O29	H29	0.0°	0.0°
O29	C13	C16	C18	177.6°	179.9°
O29	C13	C16	C22	0.7°	0.2°
C14	C24	C32	H24	180.0°	180.0°
C24	C14	C25	C31	2.2°	0.3°
C14	C24	C32	C30	1.2°	0.1°
C24	C14	C25	H25	177.8°	179.7°
C14	C24	C32	H32	178.8°	180.0°
C25	C14	C24	C32	3.9°	0.3°
C14	C25	C31	H25	180.0°	180.0°
C14	C25	C31	C30	2.2°	0.0°
C25	C14	C24	H24	176.1°	179.8°
C14	C25	C31	H31	177.8°	180.0°
F27	C15	C10	H10	0.3°	0.1°
C16	C18	C17	H18	180.0°	179.9°
C16	C18	C17	F28	176.5°	180.0°
C18	C16	C22	C21	2.8°	0.2°
C18	C16	C22	H22	177.2°	180.0°
C22	C16	C18	C17	0.8°	0.1°
C16	C22	C21	H22	180.0°	179.8°
C22	C16	C18	H18	179.2°	179.7°
C16	C22	C21	H21	176.4°	180.0°
F28	C17	C18	H18	3.5°	0.1°
C34	C23	C35	H23	120.2°	120.0°
C23	C34	C37	H34	120.0°	120.0°
C23	C34	C37	H34A	120.0°	120.0°
C34	C23	C35	C36	61.2°	60.0°
C23	C34	C37	C38	56.6°	59.9°
C34	C23	C7	H7	46.0°	63.8°
C23	C34	H34	H34A	119.1°	120.0°
C34	C23	C35	H35	58.9°	60.0°
C34	C23	C35	H35A	178.8°	180.0°
C23	C34	C37	H37	63.3°	60.0°
C23	C34	C37	H37A	176.6°	180.0°
C35	C23	C34	C37	57.1°	60.0°
C23	C35	C36	H35	120.0°	120.0°
C23	C35	C36	H35A	120.0°	120.0°
C23	C35	C36	C38	64.6°	60.0°
C35	C23	C7	H7	72.9°	56.3°
C35	C23	C34	H34	177.1°	180.0°
C35	C23	C34	H34A	62.9°	60.0°
C23	C35	H35	H35A	119.9°	120.0°
C23	C35	C36	H36	175.4°	180.0°
C23	C35	C36	H36A	55.4°	60.0°
C24	C32	C30	C31	3.3°	0.2°
C24	C32	C30	H32	180.0°	179.9°
C24	C32	C30	CL33	179.9°	180.0°
C25	C31	C30	H31	180.0°	180.0°
C25	C31	C30	C32	4.9°	0.2°
C25	C31	C30	CL33	178.5°	180.0°
C31	C30	C32	CL33	176.7°	179.8°
C30	C31	C25	H25	177.8°	179.9°
C31	C30	C32	H32	176.8°	179.7°
C30	C32	C24	H24	178.9°	180.0°
C32	C30	C31	H31	175.1°	179.8°
CL33	C30	C31	H31	1.5°	0.0°
CL33	C30	C32	H32	0.1°	0.1°
C34	C37	C38	C36	59.5°	60.0°
C34	C37	C38	H37	120.0°	120.0°
C34	C37	C38	H37A	120.0°	120.1°
C37	C34	C23	H23	63.8°	60.0°
C37	C34	H34	H34A	119.0°	120.0°
C34	C37	H37	H37A	120.1°	120.1°
C34	C37	C38	H38	60.5°	60.0°
C34	C37	C38	H38A	179.5°	180.0°
C35	C36	C38	H36	120.0°	120.0°
C35	C36	C38	H36A	120.0°	120.0°
C35	C36	C38	C37	63.3°	60.0°
C36	C35	C23	H23	59.0°	60.0°
C36	C35	H35	H35A	119.9°	120.0°
C35	C36	H36	H36A	121.0°	120.0°
C35	C36	C38	H38	56.7°	60.0°
C35	C36	C38	H38A	176.7°	180.0°
C36	C38	C37	H38	120.0°	120.0°
C36	C38	C37	H38A	120.0°	120.0°
C38	C36	C35	H35	55.4°	60.0°
C38	C36	C35	H35A	175.4°	180.0°
C38	C36	H36	H36A	121.1°	120.0°
C36	C38	C37	H37	60.5°	60.0°
C36	C38	C37	H37A	179.5°	179.9°
C36	C38	H38	H38A	120.0°	120.0°
C38	C37	C34	H34	176.6°	180.0°
C38	C37	C34	H34A	63.4°	60.0°
C37	C38	C36	H36	176.7°	180.0°
C37	C38	C36	H36A	56.7°	60.0°
C38	C37	H37	H37A	120.1°	120.0°
C37	C38	H38	H38A	120.0°	119.9°
H7	C7	C23	H23	166.2°	176.3°
H21	C21	C22	H22	3.6°	0.3°
H23	C23	C34	H34	56.2°	60.0°
H23	C23	C34	H34A	176.2°	NaN°
H23	C23	C35	H35	179.0°	180.0°
H23	C23	C35	H35A	61.0°	60.0°
H24	C24	C32	H32	1.2°	0.1°
H25	C25	C31	H31	2.2°	0.0°
H34	C34	C37	H37	56.7°	60.0°
H34	C34	C37	H37A	63.4°	60.0°
H34A	C34	C37	H37	176.6°	180.0°
H34A	C34	C37	H37A	56.6°	60.0°
H35	C35	C36	H36	64.6°	60.0°
H35	C35	C36	H36A	175.4°	NaN°
H35A	C35	C36	H36	55.4°	60.0°
H35A	C35	C36	H36A	64.6°	60.0°
H36	C36	C38	H38	63.3°	60.0°
H36	C36	C38	H38A	56.7°	60.0°
H36A	C36	C38	H38	176.7°	180.0°
H36A	C36	C38	H38A	63.3°	60.0°
H37	C37	C38	H38	179.5°	180.0°
H37	C37	C38	H38A	59.5°	60.1°
H37A	C37	C38	H38	59.5°	60.0°
H37A	C37	C38	H38A	60.5°	59.9°

Definition date:	2010-09-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ
Derived from:	3OMM