CV7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.54Å
C2	C3	sing	1.52Å	1.53Å
C2	C10	sing	1.55Å	1.53Å
C2	C15	sing	1.52Å	1.54Å
C3	C4	sing	1.54Å	1.52Å
C4	C6	sing	1.53Å	1.54Å
C4	O40	sing	1.43Å	1.43Å
C6	C8	sing	1.54Å	1.55Å
C6	C38	sing	1.53Å	1.55Å
C8	C10	sing	1.52Å	1.53Å
C8	C30	sing	1.53Å	1.53Å
C10	C12	sing	1.53Å	1.52Å
C12	C13	sing	1.55Å	1.53Å
C13	C15	sing	1.56Å	1.52Å
C13	O19	sing	1.44Å	1.42Å
C15	O16	sing	1.44Å	1.44Å
C15	C26	sing	1.51Å	1.53Å
O16	C17	sing	1.44Å	1.42Å
C17	O19	sing	1.45Å	1.42Å
C17	C20	sing	1.53Å	1.51Å
C20	C21	sing	1.53Å	1.51Å
C20	C25	sing	1.53Å	1.51Å
C21	C22	sing	1.53Å	1.52Å
C22	C23	sing	1.53Å	1.51Å
C23	C24	sing	1.53Å	1.52Å
C24	C25	sing	1.53Å	1.52Å
C26	O27	doub	1.21Å	1.22Å
C26	C28	sing	1.51Å	1.52Å
C28	O29	sing	1.43Å	1.43Å
C30	C31	sing	1.53Å	1.53Å
C31	C32	sing	1.52Å	1.50Å
C32	C33	doub	1.33Å	1.34Å
C32	C38	sing	1.50Å	1.51Å
C33	C34	sing	1.47Å	1.49Å
C34	O35	doub	1.22Å	1.22Å
C34	C36	sing	1.47Å	1.48Å
C36	C37	doub	1.32Å	1.34Å
C37	C38	sing	1.49Å	1.50Å
C38	C39	sing	1.53Å	1.54Å
C1	H11C	sing	1.09Å	1.10Å
C1	H12C	sing	1.09Å	1.10Å
C1	H13C	sing	1.09Å	1.10Å
C3	H31C	sing	1.09Å	1.10Å
C3	H32C	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
O40	H40	sing	0.97Å	0.95Å
C8	H8	sing	1.09Å	1.10Å
C30	H301	sing	1.09Å	1.10Å
C30	H302	sing	1.09Å	1.10Å
C12	H121	sing	1.09Å	1.10Å
C12	H122	sing	1.09Å	1.10Å
C13	H13	sing	1.09Å	1.10Å
C17	H17	sing	1.09Å	1.10Å
C20	H20	sing	1.09Å	1.10Å
C21	H211	sing	1.09Å	1.10Å
C21	H212	sing	1.09Å	1.10Å
C25	H251	sing	1.09Å	1.10Å
C25	H252	sing	1.09Å	1.10Å
C22	H221	sing	1.09Å	1.10Å
C22	H222	sing	1.09Å	1.10Å
C23	H231	sing	1.09Å	1.10Å
C23	H232	sing	1.09Å	1.10Å
C24	H241	sing	1.09Å	1.10Å
C24	H242	sing	1.09Å	1.10Å
C28	H281	sing	1.09Å	1.10Å
C28	H282	sing	1.09Å	1.10Å
O29	H29	sing	0.97Å	0.95Å
C31	H311	sing	1.09Å	1.10Å
C31	H312	sing	1.09Å	1.10Å
C33	H33	sing	1.08Å	1.08Å
C36	H36	sing	1.08Å	1.08Å
C37	H37	sing	1.08Å	1.08Å
C39	H391	sing	1.09Å	1.10Å
C39	H392	sing	1.09Å	1.10Å
C39	H393	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	111.9°	109.8°
C1	C2	C10	113.3°	109.8°
C1	C2	C15	109.4°	109.8°
C2	C1	H11C	109.5°	109.5°
C2	C1	H12C	109.5°	109.5°
C2	C1	H13C	109.4°	109.4°
C3	C2	C10	106.5°	107.2°
C3	C2	C15	114.2°	116.5°
C2	C3	C4	113.3°	107.2°
C2	C3	H31C	108.5°	109.9°
C2	C3	H32C	108.5°	109.9°
C10	C2	C15	101.1°	103.4°
C2	C10	C8	116.1°	107.2°
C2	C10	C12	103.8°	101.7°
C2	C10	H10	104.2°	110.5°
C2	C15	C13	104.1°	105.1°
C2	C15	O16	112.5°	110.2°
C2	C15	C26	115.1°	111.8°
C3	C4	C6	114.5°	111.6°
C3	C4	O40	108.4°	109.1°
C4	C3	H31C	108.5°	109.9°
C4	C3	H32C	108.5°	109.9°
C3	C4	H4	106.3°	109.0°
C6	C4	O40	113.7°	109.0°
C4	C6	C8	114.1°	111.6°
C4	C6	C38	116.3°	109.3°
C6	C4	H4	106.1°	109.1°
C4	C6	H6	105.2°	109.2°
O40	C4	H4	107.4°	109.0°
C4	O40	H40	109.5°	113.9°
C8	C6	C38	109.8°	109.0°
C6	C8	C10	111.8°	107.4°
C6	C8	C30	108.5°	109.6°
C8	C6	H6	105.1°	109.2°
C6	C8	H8	107.9°	109.7°
C6	C38	C32	106.0°	109.4°
C6	C38	C37	108.2°	110.7°
C6	C38	C39	115.8°	107.7°
C38	C6	H6	105.2°	108.4°
C10	C8	C30	112.2°	109.8°
C8	C10	C12	122.4°	115.6°
C8	C10	H10	104.1°	110.4°
C10	C8	H8	108.2°	109.7°
C8	C30	C31	112.5°	109.7°
C30	C8	H8	108.2°	110.5°
C8	C30	H301	108.7°	109.4°
C8	C30	H302	108.7°	109.4°
C10	C12	C13	104.1°	103.1°
C12	C10	H10	104.3°	111.0°
C10	C12	H121	110.8°	110.7°
C10	C12	H122	110.8°	110.7°
C12	C13	C15	107.4°	106.2°
C12	C13	O19	109.1°	108.0°
C13	C12	H121	110.8°	110.7°
C13	C12	H122	110.8°	110.7°
C12	C13	H13	110.9°	112.3°
C15	C13	O19	105.8°	104.6°
C13	C15	O16	105.2°	104.6°
C13	C15	C26	112.0°	112.1°
C15	C13	H13	110.9°	112.4°
C13	O19	C17	108.4°	104.9°
O19	C13	H13	112.5°	112.8°
O16	C15	C26	107.5°	112.5°
C15	O16	C17	106.2°	104.6°
C15	C26	O27	121.3°	120.0°
C15	C26	C28	119.3°	120.0°
O16	C17	O19	109.1°	104.5°
O16	C17	C20	113.7°	110.4°
O16	C17	H17	109.9°	110.4°
O19	C17	C20	105.6°	110.3°
O19	C17	H17	109.8°	110.5°
C17	C20	C21	115.6°	109.5°
C17	C20	C25	110.4°	109.5°
C20	C17	H17	108.7°	110.5°
C17	C20	H20	106.8°	109.4°
C21	C20	C25	110.1°	109.5°
C20	C21	C22	110.6°	109.5°
C21	C20	H20	106.8°	109.5°
C20	C21	H211	109.2°	109.5°
C20	C21	H212	109.2°	109.5°
C20	C25	C24	108.8°	109.5°
C25	C20	H20	106.8°	109.5°
C20	C25	H251	109.6°	109.5°
C20	C25	H252	109.6°	109.5°
C21	C22	C23	112.1°	109.5°
C22	C21	H211	109.2°	109.5°
C22	C21	H212	109.2°	109.4°
C21	C22	H221	108.8°	109.5°
C21	C22	H222	108.8°	109.5°
C22	C23	C24	111.9°	109.5°
C23	C22	H221	108.8°	109.5°
C23	C22	H222	108.8°	109.4°
C22	C23	H231	108.9°	109.5°
C22	C23	H232	108.9°	109.5°
C23	C24	C25	111.1°	109.4°
C24	C23	H231	108.8°	109.4°
C24	C23	H232	108.9°	109.5°
C23	C24	H241	109.1°	109.5°
C23	C24	H242	109.1°	109.5°
C24	C25	H251	109.6°	109.5°
C24	C25	H252	109.7°	109.4°
C25	C24	H241	109.1°	109.5°
C25	C24	H242	109.1°	109.5°
O27	C26	C28	119.4°	120.0°
C26	C28	O29	108.8°	109.5°
C26	C28	H281	109.6°	109.5°
C26	C28	H282	109.6°	109.5°
O29	C28	H281	109.6°	109.4°
O29	C28	H282	109.6°	109.5°
C28	O29	H29	109.5°	114.0°
C30	C31	C32	110.5°	108.1°
C31	C30	H301	108.7°	109.5°
C31	C30	H302	108.7°	109.4°
C30	C31	H311	109.2°	109.7°
C30	C31	H312	109.2°	109.7°
C31	C32	C33	118.7°	119.0°
C31	C32	C38	117.7°	118.0°
C32	C31	H311	109.2°	109.7°
C32	C31	H312	109.2°	109.8°
C33	C32	C38	123.5°	123.0°
C32	C33	C34	119.4°	120.6°
C32	C33	H33	120.3°	119.7°
C32	C38	C37	112.9°	113.9°
C32	C38	C39	108.5°	107.8°
C33	C34	O35	120.7°	120.7°
C33	C34	C36	120.4°	118.5°
C34	C33	H33	120.3°	119.7°
O35	C34	C36	118.9°	120.8°
C34	C36	C37	117.0°	119.9°
C34	C36	H36	121.5°	120.1°
C36	C37	C38	126.5°	124.0°
C37	C36	H36	121.5°	120.0°
C36	C37	H37	116.7°	118.0°
C37	C38	C39	105.5°	107.1°
C38	C37	H37	116.8°	118.0°
C38	C39	H391	109.5°	109.5°
C38	C39	H392	109.5°	109.4°
C38	C39	H393	109.5°	109.5°
H11C	C1	H12C	109.5°	109.4°
H11C	C1	H13C	109.5°	109.4°
H12C	C1	H13C	109.5°	109.5°
H31C	C3	H32C	109.5°	110.0°
H301	C30	H302	109.4°	109.4°
H121	C12	H122	109.5°	110.8°
H211	C21	H212	109.5°	109.5°
H251	C25	H252	109.4°	109.5°
H221	C22	H222	109.4°	109.5°
H231	C23	H232	109.5°	109.4°
H241	C24	H242	109.5°	109.5°
H281	C28	H282	109.5°	109.5°
H311	C31	H312	109.5°	109.8°
H391	C39	H392	109.5°	109.5°
H391	C39	H393	109.5°	109.5°
H392	C39	H393	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	C10	124.3°	119.2°
C1	C2	C3	C15	125.0°	125.6°
C1	C2	C10	C15	117.0°	117.1°
C1	C2	C3	C4	66.6°	54.6°
C1	C2	C10	C8	64.8°	49.2°
C1	C2	C10	C12	72.5°	72.6°
C1	C2	C15	C13	82.6°	87.7°
C1	C2	C15	O16	164.0°	160.1°
C1	C2	C15	C26	40.3°	34.1°
C2	C1	H11C	H12C	120.0°	120.0°
C2	C1	H11C	H13C	120.0°	120.0°
C2	C1	H12C	H13C	120.0°	120.0°
C1	C2	C3	H31C	54.0°	64.8°
C1	C2	C3	H32C	172.9°	174.0°
C1	C2	C10	H10	178.6°	169.6°
C3	C2	C10	C15	119.5°	123.6°
C2	C3	C4	H31C	120.6°	119.4°
C2	C3	C4	H32C	120.6°	119.5°
C2	C3	C4	C6	52.2°	57.5°
C2	C3	C4	O40	75.9°	63.0°
C3	C2	C10	C8	58.7°	70.1°
C3	C2	C10	C12	164.0°	168.2°
C3	C2	C15	C13	151.0°	146.7°
C3	C2	C15	O16	37.6°	34.5°
C3	C2	C15	C26	86.0°	91.5°
C3	C2	C1	H11C	180.0°	69.5°
C3	C2	C1	H12C	60.0°	170.5°
C3	C2	C1	H13C	60.0°	50.4°
C2	C3	H31C	H32C	118.2°	121.1°
C3	C2	C10	H10	55.1°	50.3°
C2	C3	C4	H4	168.9°	178.1°
C10	C2	C3	C4	57.8°	64.6°
C2	C10	C8	C6	51.0°	64.3°
C2	C10	C8	C12	128.7°	112.6°
C2	C10	C8	H10	113.9°	120.4°
C2	C10	C8	C30	173.1°	176.6°
C2	C10	C12	H10	108.9°	117.5°
C2	C10	C12	C13	34.3°	41.6°
C10	C2	C15	C13	37.2°	29.4°
C10	C2	C15	O16	76.2°	82.8°
C10	C2	C15	C26	160.1°	151.3°
C10	C2	C1	H11C	59.6°	48.1°
C10	C2	C1	H12C	179.6°	71.9°
C10	C2	C1	H13C	60.4°	168.0°
C10	C2	C3	H31C	178.3°	176.0°
C10	C2	C3	H32C	62.8°	54.8°
C2	C10	C8	H8	67.7°	55.0°
C2	C10	C12	H121	84.8°	76.8°
C2	C10	C12	H122	153.4°	160.0°
C15	C2	C3	C4	168.4°	179.8°
C15	C2	C10	C8	178.2°	166.3°
C15	C2	C10	C12	44.5°	44.6°
C2	C15	C13	C12	16.7°	3.7°
C2	C15	C13	O16	118.6°	116.1°
C2	C15	C13	C26	124.9°	121.7°
C2	C15	C13	O19	133.2°	117.7°
C2	C15	O16	C26	127.8°	125.5°
C2	C15	O16	C17	135.1°	137.8°
C2	C15	C26	O27	99.9°	34.2°
C2	C15	C26	C28	81.2°	145.7°
C15	C2	C1	H11C	52.4°	161.2°
C15	C2	C1	H12C	67.6°	41.2°
C15	C2	C1	H13C	172.4°	78.9°
C15	C2	C3	H31C	71.0°	60.8°
C15	C2	C3	H32C	47.8°	60.4°
C15	C2	C10	H10	64.4°	73.3°
C2	C15	C13	H13	104.6°	119.5°
C3	C4	C6	O40	125.4°	120.6°
C3	C4	C6	H4	116.9°	120.5°
C3	C4	O40	H4	114.5°	118.9°
C3	C4	C6	C8	41.9°	54.4°
C3	C4	C6	C38	171.2°	175.1°
C4	C3	H31C	H32C	118.2°	121.1°
C3	C4	C6	H6	72.8°	66.4°
C3	C4	O40	H40	180.0°	60.0°
C6	C4	O40	H4	117.0°	119.0°
C4	C6	C8	C38	132.5°	120.9°
C4	C6	C8	H6	114.8°	120.8°
C4	C6	C38	H6	116.0°	118.9°
C4	C6	C8	C10	40.0°	57.2°
C4	C6	C8	C30	164.3°	176.5°
C4	C6	C38	C32	168.1°	176.8°
C4	C6	C38	C37	46.7°	57.0°
C4	C6	C38	C39	71.5°	59.8°
C6	C4	C3	H31C	172.8°	176.9°
C6	C4	C3	H32C	68.4°	61.9°
C6	C4	O40	H40	51.5°	177.9°
C4	C6	C8	H8	78.8°	62.1°
O40	C4	C6	C8	83.5°	66.2°
O40	C4	C6	C38	45.8°	54.6°
O40	C4	C3	H31C	44.7°	56.4°
O40	C4	C3	H32C	163.5°	177.5°
O40	C4	C6	H6	161.8°	173.0°
C8	C6	C38	H6	112.7°	118.8°
C6	C8	C10	C30	122.1°	119.2°
C6	C8	C10	H8	118.6°	119.2°
C6	C8	C30	H8	116.8°	121.1°
C6	C8	C10	C12	179.7°	176.9°
C6	C8	C30	C31	56.7°	63.7°
C8	C6	C38	C32	60.6°	54.5°
C8	C6	C38	C37	178.0°	179.2°
C8	C6	C38	C39	59.8°	62.4°
C6	C8	C10	H10	62.9°	56.1°
C8	C6	C4	H4	158.8°	174.9°
C6	C8	C30	H301	63.8°	56.4°
C6	C8	C30	H302	177.1°	176.3°
C38	C6	C8	C10	172.5°	178.1°
C38	C6	C8	C30	63.2°	62.7°
C6	C38	C32	C31	56.1°	52.0°
C6	C38	C32	C33	122.0°	128.1°
C6	C38	C32	C37	118.3°	124.4°
C6	C38	C32	C39	125.0°	116.9°
C6	C38	C37	C36	121.2°	127.1°
C6	C38	C37	C39	124.6°	117.2°
C38	C6	C4	H4	71.9°	64.4°
C38	C6	C8	H8	53.7°	58.8°
C6	C38	C37	H37	58.8°	52.9°
C6	C38	C39	H391	180.0°	78.9°
C6	C38	C39	H392	60.0°	161.1°
C6	C38	C39	H393	60.0°	41.2°
C10	C8	C30	H8	119.2°	121.2°
C8	C10	C12	H10	117.3°	126.7°
C8	C10	C12	C13	168.1°	157.3°
C10	C8	C30	C31	179.4°	178.5°
C10	C8	C6	H6	74.7°	63.7°
C10	C8	C30	H301	60.2°	61.4°
C10	C8	C30	H302	58.9°	58.5°
C8	C10	C12	H121	49.0°	38.9°
C8	C10	C12	H122	72.7°	84.3°
C30	C8	C10	C12	58.2°	64.0°
C8	C30	C31	H301	120.4°	120.1°
C8	C30	C31	H302	120.5°	120.0°
C8	C30	C31	C32	49.1°	55.3°
C30	C8	C10	H10	59.2°	63.0°
C30	C8	C6	H6	49.5°	55.6°
C8	C30	H301	H302	118.6°	119.8°
C8	C30	C31	H311	169.3°	174.9°
C8	C30	C31	H312	71.0°	64.3°
C10	C12	C13	H121	119.1°	118.4°
C10	C12	C13	H122	119.1°	118.4°
C10	C12	C13	C15	10.6°	23.8°
C10	C12	C13	O19	103.6°	87.9°
C12	C10	C8	H8	61.1°	57.6°
C10	C12	H121	H122	122.5°	123.1°
C10	C12	C13	H13	131.9°	147.0°
C12	C13	C15	O19	116.4°	114.0°
C12	C13	C15	H13	121.3°	123.2°
C12	C13	O19	H13	123.5°	124.7°
C12	C13	C15	O16	101.8°	112.4°
C12	C13	C15	C26	141.7°	125.3°
C12	C13	O19	C17	114.1°	135.4°
C13	C12	C10	H10	74.6°	75.9°
C13	C12	H121	H122	122.5°	123.2°
C15	C13	O19	H13	121.2°	122.5°
C13	C15	O16	C26	119.6°	121.9°
C13	C15	O16	C17	22.4°	25.2°
C15	C13	O19	C17	1.2°	22.6°
C13	C15	C26	O27	18.7°	83.5°
C13	C15	C26	C28	160.2°	96.6°
C15	C13	C12	H121	108.5°	94.6°
C15	C13	C12	H122	129.7°	142.1°
O19	C13	C15	O16	14.6°	1.6°
O19	C13	C15	C26	101.9°	120.6°
C13	O19	C17	O16	13.1°	39.4°
C13	O19	C17	C20	135.6°	158.1°
O19	C13	C12	H121	137.3°	153.7°
O19	C13	C12	H122	15.5°	30.4°
C13	O19	C17	H17	107.4°	79.4°
C15	O16	C17	O19	22.5°	40.4°
C15	O16	C17	C20	140.0°	159.0°
O16	C15	C26	O27	133.9°	158.9°
O16	C15	C26	C28	45.0°	21.0°
O16	C15	C13	H13	136.9°	124.4°
C15	O16	C17	H17	97.9°	78.5°
C26	C15	O16	C17	97.2°	96.7°
C15	C26	O27	C28	178.9°	179.9°
C15	C26	C28	O29	156.8°	180.0°
C26	C15	C13	H13	20.3°	2.1°
C15	C26	C28	H281	83.4°	60.0°
C15	C26	C28	H282	36.9°	60.0°
O16	C17	O19	C20	122.5°	118.7°
O16	C17	O19	H17	120.5°	118.8°
O16	C17	C20	H17	122.7°	122.4°
O16	C17	C20	C21	0.7°	180.0°
O16	C17	C20	C25	126.4°	60.0°
O16	C17	C20	H20	117.9°	60.0°
O19	C17	C20	H17	117.8°	122.5°
O19	C17	C20	C21	120.2°	65.0°
O19	C17	C20	C25	114.1°	55.1°
C17	O19	C13	H13	122.5°	99.9°
O19	C17	C20	H20	1.6°	175.1°
C17	C20	C21	C25	125.9°	120.0°
C17	C20	C21	H20	118.6°	119.9°
C17	C20	C25	H20	115.7°	120.0°
C17	C20	C21	C22	174.6°	180.0°
C17	C20	C25	C24	169.4°	180.0°
C17	C20	C21	H211	54.5°	60.0°
C17	C20	C21	H212	65.2°	60.1°
C17	C20	C25	H251	70.7°	60.0°
C17	C20	C25	H252	49.5°	60.0°
C21	C20	C25	H20	115.5°	120.0°
C20	C21	C22	H211	120.2°	120.0°
C20	C21	C22	H212	120.2°	119.9°
C20	C21	C22	C23	53.7°	60.0°
C21	C20	C25	C24	61.8°	60.0°
C21	C20	C17	H17	122.0°	57.6°
C20	C21	H211	H212	119.5°	120.0°
C21	C20	C25	H251	58.0°	60.0°
C21	C20	C25	H252	178.2°	180.0°
C20	C21	C22	H221	66.7°	60.0°
C20	C21	C22	H222	174.1°	179.9°
C25	C20	C21	C22	59.5°	60.0°
C20	C25	C24	C23	58.8°	60.0°
C20	C25	C24	H251	119.9°	120.0°
C20	C25	C24	H252	119.9°	120.0°
C25	C20	C17	H17	3.7°	177.6°
C25	C20	C21	H211	179.6°	180.0°
C25	C20	C21	H212	60.7°	60.0°
C20	C25	H251	H252	120.3°	120.0°
C20	C25	C24	H241	61.4°	60.0°
C20	C25	C24	H242	179.1°	180.0°
C21	C22	C23	H221	120.4°	120.0°
C21	C22	C23	H222	120.4°	120.0°
C21	C22	C23	C24	51.0°	60.0°
C22	C21	C20	H20	56.0°	60.1°
C22	C21	H211	H212	119.5°	120.0°
C21	C22	H221	H222	118.8°	120.0°
C21	C22	C23	H231	171.3°	180.0°
C21	C22	C23	H232	69.4°	60.0°
C22	C23	C24	H231	120.4°	120.0°
C22	C23	C24	H232	120.4°	120.0°
C22	C23	C24	C25	53.8°	60.0°
C23	C22	C21	H211	173.9°	180.0°
C23	C22	C21	H212	66.4°	60.0°
C23	C22	H221	H222	118.8°	120.0°
C22	C23	H231	H232	118.9°	120.0°
C22	C23	C24	H241	66.5°	60.0°
C22	C23	C24	H242	174.0°	180.0°
C23	C24	C25	H241	120.3°	120.0°
C23	C24	C25	H242	120.3°	120.0°
C23	C24	C25	H251	61.1°	60.0°
C23	C24	C25	H252	178.7°	180.0°
C24	C23	C22	H221	69.4°	60.0°
C24	C23	C22	H222	171.4°	180.0°
C24	C23	H231	H232	118.9°	120.0°
C23	C24	H241	H242	119.2°	120.1°
C24	C25	C20	H20	53.7°	60.0°
C24	C25	H251	H252	120.3°	120.0°
C25	C24	C23	H231	174.2°	179.9°
C25	C24	C23	H232	66.6°	60.0°
C25	C24	H241	H242	119.2°	120.0°
O27	C26	C28	O29	24.3°	0.1°
O27	C26	C28	H281	95.6°	120.0°
O27	C26	C28	H282	144.2°	120.0°
C26	C28	O29	H281	119.9°	120.0°
C26	C28	O29	H282	119.9°	120.0°
C26	C28	H281	H282	120.3°	120.0°
C26	C28	O29	H29	10.7°	180.0°
O29	C28	H281	H282	120.3°	120.0°
C30	C31	C32	H311	120.2°	119.6°
C30	C31	C32	H312	120.1°	119.6°
C30	C31	C32	C33	127.5°	128.2°
C30	C31	C32	C38	50.8°	51.9°
C31	C30	C8	H8	60.1°	57.4°
C31	C30	H301	H302	118.6°	119.9°
C30	C31	H311	H312	119.5°	120.7°
C31	C32	C33	C38	178.1°	179.9°
C31	C32	C33	C34	178.3°	179.0°
C31	C32	C38	C37	174.5°	176.4°
C31	C32	C38	C39	68.9°	64.9°
C32	C31	C30	H301	71.3°	64.8°
C32	C31	C30	H302	169.6°	175.3°
C32	C31	H311	H312	119.6°	120.7°
C31	C32	C33	H33	1.7°	0.9°
C32	C33	C34	H33	180.0°	180.0°
C32	C33	C34	O35	177.5°	177.9°
C32	C33	C34	C36	4.1°	2.2°
C33	C32	C38	C37	3.7°	3.7°
C33	C32	C38	C39	113.0°	115.0°
C33	C32	C31	H311	7.3°	8.6°
C33	C32	C31	H312	112.4°	112.2°
C38	C32	C33	C34	0.2°	1.1°
C32	C38	C37	C36	4.2°	3.4°
C32	C38	C37	C39	118.4°	119.1°
C32	C38	C6	H6	52.1°	64.3°
C38	C32	C31	H311	170.9°	171.5°
C38	C32	C31	H312	69.4°	67.7°
C38	C32	C33	H33	179.8°	179.0°
C32	C38	C37	H37	175.8°	176.6°
C32	C38	C39	H391	61.0°	163.2°
C32	C38	C39	H392	59.1°	43.2°
C32	C38	C39	H393	179.0°	76.8°
C33	C34	O35	C36	178.4°	180.0°
C33	C34	C36	C37	3.7°	2.5°
C33	C34	C36	H36	176.3°	177.5°
O35	C34	C36	C37	177.9°	177.5°
O35	C34	C33	H33	2.5°	2.2°
O35	C34	C36	H36	2.1°	2.5°
C34	C36	C37	H36	180.0°	180.0°
C34	C36	C37	C38	0.6°	0.4°
C36	C34	C33	H33	175.9°	177.8°
C34	C36	C37	H37	179.3°	179.6°
C36	C37	C38	H37	180.0°	180.0°
C36	C37	C38	C39	114.2°	115.7°
C37	C38	C6	H6	69.3°	61.9°
C38	C37	C36	H36	179.4°	179.6°
C37	C38	C39	H391	60.3°	40.3°
C37	C38	C39	H392	179.7°	79.7°
C37	C38	C39	H393	59.7°	160.3°
C39	C38	C6	H6	172.5°	178.8°
C39	C38	C37	H37	65.8°	64.3°
C38	C39	H391	H392	120.0°	120.0°
C38	C39	H391	H393	120.0°	120.0°
C38	C39	H392	H393	120.0°	120.0°
H11C	C1	H12C	H13C	120.0°	120.0°
H31C	C3	C4	H4	70.5°	62.5°
H32C	C3	C4	H4	48.3°	58.6°
H10	C10	C8	H8	178.5°	175.4°
H10	C10	C12	H121	166.3°	165.6°
H10	C10	C12	H122	44.6°	42.4°
H4	C4	C6	H6	44.1°	54.1°
H4	C4	O40	H40	65.5°	58.9°
H6	C6	C8	H8	166.5°	177.1°
H8	C8	C30	H301	179.4°	177.5°
H8	C8	C30	H302	60.4°	62.7°
H301	C30	C31	H311	48.8°	54.9°
H301	C30	C31	H312	168.5°	175.6°
H302	C30	C31	H311	70.3°	65.1°
H302	C30	C31	H312	49.4°	55.7°
H121	C12	C13	H13	12.8°	28.7°
H122	C12	C13	H13	108.9°	94.6°
H17	C17	C20	H20	119.4°	62.4°
H20	C20	C21	H211	64.1°	60.0°
H20	C20	C21	H212	176.2°	180.0°
H20	C20	C25	H251	173.6°	180.0°
H20	C20	C25	H252	66.2°	60.0°
H211	C21	C22	H221	53.5°	60.0°
H211	C21	C22	H222	65.7°	60.0°
H212	C21	C22	H221	173.2°	180.0°
H212	C21	C22	H222	54.0°	60.0°
H251	C25	C24	H241	178.7°	180.0°
H251	C25	C24	H242	59.2°	60.0°
H252	C25	C24	H241	58.5°	60.0°
H252	C25	C24	H242	61.0°	60.0°
H221	C22	C23	H231	50.9°	60.0°
H221	C22	C23	H232	170.2°	180.0°
H222	C22	C23	H231	68.2°	60.0°
H222	C22	C23	H232	51.0°	60.0°
H231	C23	C24	H241	53.9°	60.1°
H231	C23	C24	H242	65.6°	60.0°
H232	C23	C24	H241	173.2°	180.0°
H232	C23	C24	H242	53.7°	59.9°
H281	C28	O29	H29	109.1°	60.0°
H282	C28	O29	H29	130.6°	59.9°
H36	C36	C37	H37	0.6°	0.4°
H391	C39	H392	H393	120.0°	120.1°

Release date:	2015-11-25
Definition date:	2014-12-09
Last modified:	2015-11-20
Release status:	REL
Processing site:	EBI
Derived from:	4UDB