PRD_001005

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.39Å	Aromatic
C1	C6	sing	1.38Å	1.39Å	Aromatic
C2	C32	sing	1.38Å	1.39Å	Aromatic
CL3	C31	sing	1.74Å	1.78Å
C4	C5	sing	1.38Å	1.39Å	Aromatic
C4	C32	doub	1.38Å	1.39Å	Aromatic
C5	C6	doub	1.38Å	1.39Å	Aromatic
C6	C7	sing	1.51Å	1.51Å
C7	S8	sing	1.81Å	1.67Å
S8	N9	sing	1.66Å	1.61Å
S8	O15	doub	1.42Å	1.43Å
S8	O16	doub	1.42Å	1.44Å
N9	C10	sing	1.46Å	1.45Å
C10	C11	sing	1.53Å	1.53Å
C10	C13	sing	1.51Å	1.50Å
C11	C12	sing	1.53Å	1.52Å
C12	C35	sing	1.53Å	1.53Å
C12	C39	sing	1.53Å	1.53Å
C13	N14	sing	1.35Å	1.33Å
C13	O17	doub	1.21Å	1.22Å
N14	C18	sing	1.47Å	1.47Å
N14	C25	sing	1.47Å	1.47Å
C18	C19	sing	1.51Å	1.50Å
C18	C23	sing	1.54Å	1.53Å
C19	O20	doub	1.21Å	1.22Å
C19	N21	sing	1.35Å	1.33Å
N21	C22	sing	1.47Å	1.46Å
C22	C26	sing	1.51Å	1.51Å
C23	C24	sing	1.55Å	1.52Å
C24	C25	sing	1.55Å	1.52Å
C26	C27	doub	1.38Å	1.39Å	Aromatic
C26	C33	sing	1.38Å	1.38Å	Aromatic
C27	C28	sing	1.51Å	1.51Å
C27	C29	sing	1.38Å	1.39Å	Aromatic
C28	N34	sing	1.47Å	1.45Å
C29	C30	doub	1.38Å	1.39Å	Aromatic
C30	C31	sing	1.38Å	1.38Å	Aromatic
C31	C33	doub	1.38Å	1.38Å	Aromatic
C35	C36	sing	1.53Å	1.52Å
C36	C37	sing	1.53Å	1.52Å
C37	C38	sing	1.53Å	1.53Å
C38	C39	sing	1.53Å	1.52Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
N9	HN9	sing	0.97Å	1.00Å
C10	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C11	H11A	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C18	H18	sing	1.09Å	1.10Å
N21	HN21	sing	0.97Å	1.00Å
C22	H22	sing	1.09Å	1.10Å
C22	H22A	sing	1.09Å	1.10Å
C23	H23	sing	1.09Å	1.10Å
C23	H23A	sing	1.09Å	1.10Å
C24	H24	sing	1.09Å	1.10Å
C24	H24A	sing	1.09Å	1.10Å
C25	H25	sing	1.09Å	1.10Å
C25	H25A	sing	1.09Å	1.10Å
C28	H28	sing	1.09Å	1.10Å
C28	H28A	sing	1.09Å	1.10Å
C29	H29	sing	1.08Å	1.08Å
C30	H30	sing	1.08Å	1.08Å
C32	H32	sing	1.08Å	1.08Å
C33	H33	sing	1.08Å	1.08Å
N34	HN34	sing	1.01Å	1.00Å
N34	HN3A	sing	1.01Å	1.00Å
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
C39	H39	sing	1.09Å	1.10Å
C39	H39A	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	119.9°	120.0°
C1	C2	C32	120.1°	120.0°
C2	C1	H1	120.1°	120.0°
C1	C2	H2	120.0°	120.0°
C1	C6	C5	120.0°	120.1°
C1	C6	C7	119.9°	120.0°
C6	C1	H1	120.1°	120.0°
C2	C32	C4	120.0°	120.0°
C32	C2	H2	119.9°	120.0°
C2	C32	H32	120.0°	120.0°
CL3	C31	C30	119.3°	120.0°
CL3	C31	C33	119.2°	120.0°
C5	C4	C32	120.0°	120.0°
C4	C5	C6	120.0°	119.9°
C5	C4	H4	120.0°	120.0°
C4	C5	H5	120.0°	120.0°
C32	C4	H4	120.0°	120.0°
C4	C32	H32	120.0°	120.0°
C5	C6	C7	120.0°	119.9°
C6	C5	H5	120.0°	120.0°
C6	C7	S8	109.4°	109.5°
C6	C7	H7	109.5°	109.5°
C6	C7	H7A	109.5°	109.4°
C7	S8	N9	108.8°	104.5°
C7	S8	O15	107.9°	110.5°
C7	S8	O16	110.8°	110.5°
S8	C7	H7	109.5°	109.5°
S8	C7	H7A	109.5°	109.5°
N9	S8	O15	109.8°	104.3°
N9	S8	O16	108.9°	104.3°
S8	N9	C10	122.4°	120.0°
S8	N9	HN9	105.4°	120.0°
O15	S8	O16	110.6°	121.0°
N9	C10	C11	107.7°	109.5°
N9	C10	C13	109.1°	109.4°
C10	N9	HN9	105.4°	120.0°
N9	C10	H10	111.6°	109.5°
C11	C10	C13	111.5°	109.4°
C10	C11	C12	114.2°	109.5°
C11	C10	H10	109.2°	109.5°
C10	C11	H11	107.9°	109.5°
C10	C11	H11A	107.9°	109.5°
C10	C13	N14	118.3°	120.0°
C10	C13	O17	119.7°	120.0°
C13	C10	H10	107.8°	109.4°
C11	C12	C35	109.0°	109.5°
C11	C12	C39	110.3°	109.5°
C12	C11	H11	107.9°	109.4°
C12	C11	H11A	107.9°	109.5°
C11	C12	H12	109.3°	109.5°
C35	C12	C39	109.8°	109.4°
C12	C35	C36	110.8°	109.5°
C35	C12	H12	109.9°	109.5°
C12	C35	H35	109.0°	109.5°
C12	C35	H35A	109.0°	109.5°
C12	C39	C38	109.5°	109.5°
C39	C12	H12	108.5°	109.5°
C12	C39	H39	109.5°	109.5°
C12	C39	H39A	109.5°	109.5°
N14	C13	O17	122.0°	120.0°
C13	N14	C18	119.7°	125.6°
C13	N14	C25	126.7°	125.7°
C18	N14	C25	113.5°	108.7°
N14	C18	C19	113.0°	109.9°
N14	C18	C23	103.8°	107.2°
N14	C18	H18	111.1°	109.9°
N14	C25	C24	103.9°	104.7°
N14	C25	H25	111.4°	110.4°
N14	C25	H25A	111.3°	110.4°
C19	C18	C23	109.8°	109.8°
C18	C19	O20	121.1°	120.0°
C18	C19	N21	117.4°	120.0°
C19	C18	H18	105.3°	109.9°
C18	C23	C24	105.5°	103.0°
C23	C18	H18	114.2°	110.0°
C18	C23	H23	110.8°	110.7°
C18	C23	H23A	110.8°	110.7°
O20	C19	N21	121.4°	120.0°
C19	N21	C22	122.4°	120.0°
C19	N21	HN21	118.8°	120.0°
N21	C22	C26	114.5°	109.4°
C22	N21	HN21	118.8°	120.0°
N21	C22	H22	107.8°	109.5°
N21	C22	H22A	107.9°	109.4°
C22	C26	C27	121.7°	120.0°
C22	C26	C33	118.5°	120.0°
C26	C22	H22	107.8°	109.5°
C26	C22	H22A	107.8°	109.5°
C23	C24	C25	106.5°	101.5°
C24	C23	H23	110.8°	110.7°
C24	C23	H23A	110.8°	110.7°
C23	C24	H24	110.5°	111.0°
C23	C24	H24A	110.5°	111.0°
C25	C24	H24	110.4°	111.2°
C25	C24	H24A	110.5°	110.9°
C24	C25	H25	111.4°	110.5°
C24	C25	H25A	111.4°	110.4°
C27	C26	C33	119.9°	120.0°
C26	C27	C28	121.2°	119.9°
C26	C27	C29	120.1°	120.1°
C26	C33	C31	119.5°	120.0°
C26	C33	H33	120.3°	120.0°
C28	C27	C29	118.7°	120.0°
C27	C28	N34	110.4°	109.5°
C27	C28	H28	109.2°	109.4°
C27	C28	H28A	109.2°	109.5°
C27	C29	C30	120.4°	120.0°
C27	C29	H29	119.8°	120.0°
N34	C28	H28	109.1°	109.5°
N34	C28	H28A	109.1°	109.5°
C28	N34	HN34	109.5°	111.0°
C28	N34	HN3A	109.5°	111.0°
C29	C30	C31	118.7°	120.0°
C30	C29	H29	119.8°	120.0°
C29	C30	H30	120.7°	120.0°
C30	C31	C33	121.5°	120.0°
C31	C30	H30	120.7°	120.0°
C31	C33	H33	120.2°	120.0°
C35	C36	C37	111.1°	109.5°
C36	C35	H35	109.0°	109.5°
C36	C35	H35A	109.0°	109.5°
C35	C36	H36	108.9°	109.4°
C35	C36	H36A	108.9°	109.4°
C36	C37	C38	111.8°	109.5°
C37	C36	H36	108.9°	109.5°
C37	C36	H36A	108.9°	109.5°
C36	C37	H37	108.7°	109.4°
C36	C37	H37A	108.7°	109.5°
C37	C38	C39	111.3°	109.4°
C38	C37	H37	108.7°	109.4°
C38	C37	H37A	108.7°	109.5°
C37	C38	H38	108.9°	109.5°
C37	C38	H38A	108.9°	109.4°
C39	C38	H38	108.9°	109.5°
C39	C38	H38A	108.9°	109.5°
C38	C39	H39	109.4°	109.5°
C38	C39	H39A	109.5°	109.4°
H7	C7	H7A	109.4°	109.5°
H11	C11	H11A	111.0°	109.5°
H22	C22	H22A	111.1°	109.5°
H23	C23	H23A	108.1°	110.8°
H24	C24	H24A	108.5°	110.9°
H25	C25	H25A	107.5°	110.4°
H28	C28	H28A	109.8°	109.5°
HN34	N34	HN3A	109.4°	111.0°
H35	C35	H35A	109.9°	109.5°
H36	C36	H36A	110.0°	109.5°
H37	C37	H37A	110.3°	109.5°
H38	C38	H38A	110.1°	109.5°
H39	C39	H39A	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	H1	180.0°	179.7°
C1	C2	C32	H2	180.0°	180.0°
C1	C2	C32	C4	0.4°	0.1°
C2	C1	C6	C5	0.3°	0.0°
C2	C1	C6	C7	179.5°	180.0°
C1	C2	C32	H32	179.7°	180.0°
C6	C1	C2	C32	0.4°	0.0°
C1	C6	C5	C4	0.2°	0.1°
C1	C6	C5	C7	179.2°	180.0°
C1	C6	C7	S8	87.0°	85.1°
C6	C1	C2	H2	179.6°	180.0°
C1	C6	C5	H5	179.8°	180.0°
C1	C6	C7	H7	152.9°	154.9°
C1	C6	C7	H7A	33.0°	34.9°
C2	C32	C4	C5	0.2°	0.1°
C2	C32	C4	H32	180.0°	179.9°
C32	C2	C1	H1	179.6°	179.7°
C2	C32	C4	H4	179.8°	180.0°
CL3	C31	C33	C26	179.8°	179.6°
CL3	C31	C30	C29	179.8°	180.0°
CL3	C31	C30	C33	179.3°	179.7°
CL3	C31	C30	H30	0.2°	0.0°
CL3	C31	C33	H33	0.2°	0.0°
C5	C4	C32	H4	180.0°	179.9°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	C7	179.3°	179.9°
C5	C4	C32	H32	179.8°	180.0°
C32	C4	C5	C6	0.1°	0.1°
C4	C32	C2	H2	179.6°	179.9°
C32	C4	C5	H5	179.9°	179.9°
C5	C6	C7	S8	92.1°	94.9°
C5	C6	C1	H1	179.7°	179.7°
C6	C5	C4	H4	179.8°	180.0°
C5	C6	C7	H7	27.9°	25.1°
C5	C6	C7	H7A	147.9°	145.1°
C6	C7	S8	H7	120.0°	120.0°
C6	C7	S8	H7A	120.0°	120.0°
C6	C7	S8	N9	67.8°	175.4°
C6	C7	S8	O15	173.2°	63.8°
C6	C7	S8	O16	52.0°	73.0°
C7	C6	C1	H1	0.5°	0.3°
C7	C6	C5	H5	0.7°	0.0°
C6	C7	H7	H7A	120.0°	120.0°
C7	S8	N9	O15	117.9°	116.0°
C7	S8	N9	O16	120.9°	116.1°
C7	S8	O15	O16	121.3°	131.5°
C7	S8	N9	C10	96.3°	64.9°
S8	C7	H7	H7A	120.1°	120.1°
C7	S8	N9	HN9	143.7°	115.0°
N9	S8	O15	O16	120.2°	116.8°
S8	N9	C10	HN9	120.0°	180.0°
S8	N9	C10	C11	156.7°	97.9°
S8	N9	C10	C13	82.1°	142.1°
N9	S8	C7	H7	52.2°	64.6°
N9	S8	C7	H7A	172.3°	55.4°
S8	N9	C10	H10	36.9°	22.2°
O15	S8	N9	C10	21.6°	51.1°
O15	S8	C7	H7	66.8°	176.2°
O15	S8	C7	H7A	53.2°	56.2°
O15	S8	N9	HN9	98.4°	128.9°
O16	S8	N9	C10	142.8°	179.0°
O16	S8	C7	H7	172.0°	47.0°
O16	S8	C7	H7A	68.0°	167.1°
O16	S8	N9	HN9	22.8°	1.0°
N9	C10	C11	C13	119.6°	120.0°
N9	C10	C11	H10	121.4°	120.1°
N9	C10	C13	H10	121.4°	120.0°
N9	C10	C11	C12	177.6°	52.1°
N9	C10	C13	N14	131.5°	177.6°
N9	C10	C13	O17	48.7°	2.4°
N9	C10	C11	H11	62.4°	67.8°
N9	C10	C11	H11A	57.6°	172.2°
C11	C10	C13	H10	119.8°	120.0°
C10	C11	C12	H11	120.0°	120.0°
C10	C11	C12	H11A	120.0°	120.1°
C10	C11	C12	C35	165.7°	168.6°
C10	C11	C12	C39	73.7°	71.4°
C11	C10	C13	N14	109.7°	62.4°
C11	C10	C13	O17	70.1°	117.6°
C11	C10	N9	HN9	83.3°	82.1°
C10	C11	H11	H11A	118.0°	120.0°
C10	C11	C12	H12	45.6°	48.6°
C13	C10	C11	C12	62.8°	67.8°
C10	C13	N14	O17	179.8°	180.0°
C10	C13	N14	C18	178.9°	180.0°
C10	C13	N14	C25	1.0°	0.3°
C13	C10	N9	HN9	37.9°	37.9°
C13	C10	C11	H11	57.2°	172.2°
C13	C10	C11	H11A	177.2°	52.2°
C11	C12	C35	C39	120.9°	119.9°
C11	C12	C35	H12	119.8°	120.1°
C11	C12	C39	H12	119.8°	120.0°
C11	C12	C35	C36	179.8°	180.0°
C11	C12	C39	C38	179.9°	180.0°
C12	C11	C10	H10	56.2°	172.2°
C12	C11	H11	H11A	118.1°	120.0°
C11	C12	C35	H35	59.8°	60.1°
C11	C12	C35	H35A	60.2°	60.0°
C11	C12	C39	H39	60.1°	59.9°
C11	C12	C39	H39A	59.9°	60.1°
C35	C12	C39	H12	120.1°	120.0°
C12	C35	C36	H35	120.0°	120.0°
C12	C35	C36	H35A	120.0°	120.0°
C12	C35	C36	C37	55.6°	60.0°
C35	C12	C39	C38	60.0°	60.1°
C35	C12	C11	H11	45.8°	48.7°
C35	C12	C11	H11A	74.3°	71.3°
C12	C35	H35	H35A	119.5°	120.0°
C12	C35	C36	H36	64.4°	60.0°
C12	C35	C36	H36A	175.6°	180.0°
C35	C12	C39	H39	60.0°	60.0°
C35	C12	C39	H39A	180.0°	180.0°
C39	C12	C35	C36	59.3°	60.0°
C12	C39	C38	C37	57.8°	60.1°
C12	C39	C38	H39	120.0°	120.1°
C12	C39	C38	H39A	120.0°	120.0°
C39	C12	C11	H11	166.3°	168.6°
C39	C12	C11	H11A	46.3°	48.6°
C39	C12	C35	H35	179.3°	180.0°
C39	C12	C35	H35A	60.7°	60.0°
C12	C39	C38	H38	62.2°	59.9°
C12	C39	C38	H38A	177.7°	180.0°
C12	C39	H39	H39A	120.0°	120.0°
C13	N14	C18	C25	178.2°	179.7°
C13	N14	C18	C19	48.0°	59.6°
C13	N14	C18	C23	166.8°	179.0°
C13	N14	C25	C24	177.2°	155.9°
N14	C13	C10	H10	10.1°	57.6°
C13	N14	C18	H18	70.0°	61.4°
C13	N14	C25	H25	57.2°	85.2°
C13	N14	C25	H25A	62.7°	37.1°
O17	C13	N14	C18	1.3°	0.0°
O17	C13	N14	C25	179.2°	179.7°
O17	C13	C10	H10	170.1°	122.4°
N14	C18	C19	C23	115.3°	117.7°
N14	C18	C19	H18	121.3°	121.1°
N14	C18	C23	H18	121.1°	119.5°
N14	C18	C19	O20	43.9°	0.1°
N14	C18	C19	N21	135.8°	180.0°
N14	C18	C23	C24	22.8°	22.1°
C18	N14	C25	C24	4.8°	24.5°
N14	C18	C23	H23	97.2°	140.5°
N14	C18	C23	H23A	142.8°	96.2°
C18	N14	C25	H25	124.8°	94.5°
C18	N14	C25	H25A	115.3°	143.2°
C25	N14	C18	C19	130.2°	120.7°
C25	N14	C18	C23	11.3°	1.3°
N14	C25	C24	C23	19.2°	37.3°
N14	C25	C24	H25	120.0°	118.8°
N14	C25	C24	H25A	120.0°	118.8°
C25	N14	C18	H18	111.8°	118.3°
N14	C25	C24	H24	139.2°	80.8°
N14	C25	C24	H24A	100.8°	155.3°
N14	C25	H25	H25A	122.2°	122.3°
C19	C18	C23	H18	117.9°	121.1°
C18	C19	O20	N21	179.7°	179.9°
C18	C19	N21	C22	178.4°	180.0°
C19	C18	C23	C24	143.8°	97.2°
C18	C19	N21	HN21	1.6°	0.1°
C19	C18	C23	H23	23.8°	21.2°
C19	C18	C23	H23A	96.2°	144.5°
C23	C18	C19	O20	71.4°	117.8°
C23	C18	C19	N21	108.9°	62.3°
C18	C23	C24	H23	120.0°	118.4°
C18	C23	C24	H23A	120.0°	118.3°
C18	C23	C24	C25	26.4°	35.6°
C18	C23	H23	H23A	121.6°	123.2°
C18	C23	C24	H24	146.4°	82.6°
C18	C23	C24	H24A	93.6°	153.5°
O20	C19	N21	C22	1.9°	0.1°
O20	C19	C18	H18	165.2°	121.0°
O20	C19	N21	HN21	178.1°	180.0°
C19	N21	C22	HN21	180.0°	180.0°
C19	N21	C22	C26	105.6°	179.9°
N21	C19	C18	H18	14.4°	58.9°
C19	N21	C22	H22	134.4°	60.0°
C19	N21	C22	H22A	14.4°	60.1°
N21	C22	C26	H22	120.0°	120.0°
N21	C22	C26	H22A	120.0°	120.0°
N21	C22	C26	C27	101.3°	80.1°
N21	C22	C26	C33	79.6°	100.3°
N21	C22	H22	H22A	118.0°	120.0°
C22	C26	C27	C33	179.2°	179.6°
C22	C26	C27	C28	0.7°	0.1°
C22	C26	C27	C29	178.9°	179.9°
C22	C26	C33	C31	179.1°	179.7°
C26	C22	N21	HN21	74.4°	0.0°
C26	C22	H22	H22A	117.9°	120.1°
C22	C26	C33	H33	0.9°	0.1°
C23	C24	C25	H24	120.0°	118.1°
C23	C24	C25	H24A	120.0°	118.0°
C24	C23	C18	H18	98.3°	141.7°
C24	C23	H23	H23A	121.7°	123.2°
C23	C24	H24	H24A	121.2°	123.9°
C23	C24	C25	H25	139.2°	81.6°
C23	C24	C25	H25A	100.8°	156.0°
C25	C24	C23	H23	93.6°	154.0°
C25	C24	C23	H23A	146.4°	82.7°
C25	C24	H24	H24A	121.2°	123.9°
C24	C25	H25	H25A	122.3°	122.4°
C26	C27	C28	C29	179.6°	180.0°
C26	C27	C28	N34	101.9°	80.1°
C26	C27	C29	C30	0.1°	0.0°
C27	C26	C33	C31	0.1°	0.7°
C27	C26	C22	H22	138.8°	39.9°
C27	C26	C22	H22A	18.8°	160.0°
C26	C27	C28	H28	138.1°	160.0°
C26	C27	C28	H28A	18.1°	40.0°
C26	C27	C29	H29	179.9°	179.9°
C27	C26	C33	H33	179.9°	179.7°
C33	C26	C27	C28	179.9°	179.7°
C33	C26	C27	C29	0.3°	0.3°
C26	C33	C31	C30	0.5°	0.7°
C26	C33	C31	H33	180.0°	179.6°
C33	C26	C22	H22	40.4°	139.7°
C33	C26	C22	H22A	160.4°	19.6°
C27	C28	N34	H28	120.0°	119.9°
C27	C28	N34	H28A	120.0°	120.0°
C28	C27	C29	C30	179.4°	179.9°
C27	C28	H28	H28A	119.6°	120.0°
C28	C27	C29	H29	0.5°	0.0°
C27	C28	N34	HN34	180.0°	56.0°
C27	C28	N34	HN3A	60.0°	180.0°
C29	C27	C28	N34	78.5°	100.0°
C27	C29	C30	H29	180.0°	179.9°
C27	C29	C30	C31	0.7°	0.1°
C29	C27	C28	H28	41.5°	20.0°
C29	C27	C28	H28A	161.5°	140.0°
C27	C29	C30	H30	179.2°	180.0°
N34	C28	H28	H28A	119.6°	120.1°
C28	N34	HN34	HN3A	120.0°	124.0°
C29	C30	C31	H30	180.0°	179.9°
C29	C30	C31	C33	1.0°	0.3°
C31	C30	C29	H29	179.3°	180.0°
C30	C31	C33	H33	179.5°	179.7°
C33	C31	C30	H30	179.0°	179.7°
C35	C36	C37	H36	120.0°	120.0°
C35	C36	C37	H36A	120.0°	119.9°
C35	C36	C37	C38	53.1°	60.0°
C36	C35	C12	H12	60.0°	60.0°
C36	C35	H35	H35A	119.5°	120.0°
C35	C36	H36	H36A	119.3°	120.0°
C35	C36	C37	H37	173.1°	180.0°
C35	C36	C37	H37A	66.9°	60.0°
C36	C37	C38	H37	120.0°	119.9°
C36	C37	C38	H37A	120.0°	120.0°
C36	C37	C38	C39	54.6°	60.0°
C37	C36	C35	H35	175.6°	180.0°
C37	C36	C35	H35A	64.4°	60.0°
C37	C36	H36	H36A	119.3°	120.1°
C36	C37	H37	H37A	119.1°	120.0°
C36	C37	C38	H38	65.4°	60.0°
C36	C37	C38	H38A	174.6°	180.0°
C37	C38	C39	H38	120.0°	120.0°
C37	C38	C39	H38A	120.0°	119.9°
C38	C37	C36	H36	66.9°	59.9°
C38	C37	C36	H36A	173.1°	180.0°
C38	C37	H37	H37A	119.0°	120.0°
C37	C38	H38	H38A	119.2°	120.0°
C37	C38	C39	H39	62.2°	60.0°
C37	C38	C39	H39A	177.7°	180.0°
C38	C39	C12	H12	60.1°	60.0°
C39	C38	C37	H37	174.6°	180.0°
C39	C38	C37	H37A	65.4°	60.0°
C39	C38	H38	H38A	119.3°	120.1°
C38	C39	H39	H39A	120.0°	119.9°
H1	C1	C2	H2	0.4°	0.3°
H2	C2	C32	H32	0.4°	0.0°
H4	C4	C5	H5	0.1°	0.0°
H4	C4	C32	H32	0.2°	0.1°
HN9	N9	C10	H10	156.9°	157.9°
H10	C10	C11	H11	176.2°	52.3°
H10	C10	C11	H11A	63.8°	67.8°
H11	C11	C12	H12	74.4°	71.4°
H11A	C11	C12	H12	165.6°	168.6°
H12	C12	C35	H35	60.0°	60.0°
H12	C12	C35	H35A	180.0°	180.0°
H12	C12	C39	H39	179.9°	180.0°
H12	C12	C39	H39A	59.9°	60.0°
H18	C18	C23	H23	141.7°	99.9°
H18	C18	C23	H23A	21.7°	23.4°
HN21	N21	C22	H22	45.6°	120.0°
HN21	N21	C22	H22A	165.7°	120.0°
H23	C23	C24	H24	26.4°	35.8°
H23	C23	C24	H24A	146.5°	88.0°
H23A	C23	C24	H24	93.6°	159.1°
H23A	C23	C24	H24A	26.4°	35.2°
H24	C24	C25	H25	100.8°	160.3°
H24	C24	C25	H25A	19.2°	38.0°
H24A	C24	C25	H25	19.2°	36.4°
H24A	C24	C25	H25A	139.2°	85.9°
H28	C28	N34	HN34	60.0°	63.9°
H28	C28	N34	HN3A	180.0°	60.0°
H28A	C28	N34	HN34	60.0°	176.0°
H28A	C28	N34	HN3A	60.0°	60.0°
H29	C29	C30	H30	0.8°	0.1°
H35	C35	C36	H36	55.6°	60.0°
H35	C35	C36	H36A	64.4°	60.0°
H35A	C35	C36	H36	175.6°	180.0°
H35A	C35	C36	H36A	55.6°	60.0°
H36	C36	C37	H37	53.1°	60.0°
H36	C36	C37	H37A	173.1°	179.9°
H36A	C36	C37	H37	66.9°	60.1°
H36A	C36	C37	H37A	53.1°	60.0°
H37	C37	C38	H38	54.6°	60.0°
H37	C37	C38	H38A	65.4°	60.1°
H37A	C37	C38	H38	174.6°	180.0°
H37A	C37	C38	H38A	54.6°	60.0°
H38	C38	C39	H39	177.8°	180.0°
H38	C38	C39	H39A	57.8°	60.0°
H38A	C38	C39	H39	57.7°	59.9°
H38A	C38	C39	H39A	62.3°	60.0°

Release date:	2012-12-12
Last modified:	2012-12-12
Processing site:	RCSB
Sub-components:	PMS ZAL PRO 00T