EV9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O24 | P23 | doub | 1.48Å | 1.50Å | |
| C19 | O18 | sing | 1.45Å | 1.41Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| O18 | C16 | sing | 1.34Å | 1.41Å | |
| P23 | O22 | sing | 1.61Å | 1.65Å | |
| P23 | O25 | sing | 1.61Å | 1.50Å | |
| P23 | O26 | sing | 1.61Å | 1.64Å | |
| O43 | C42 | doub | 1.21Å | 1.18Å | |
| O22 | C21 | sing | 1.43Å | 1.40Å | |
| O41 | C20 | sing | 1.45Å | 1.39Å | |
| O41 | C42 | sing | 1.34Å | 1.40Å | |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C16 | O17 | doub | 1.21Å | 1.18Å | |
| C42 | C44 | sing | 1.51Å | 1.53Å | |
| O26 | C27 | sing | 1.43Å | 1.40Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C09 | sing | 1.53Å | 1.52Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C45 | C46 | sing | 1.53Å | 1.53Å | |
| C09 | C08 | sing | 1.53Å | 1.52Å | |
| O40 | C28 | sing | 1.43Å | 1.39Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C46 | C47 | sing | 1.53Å | 1.52Å | |
| C08 | C07 | sing | 1.53Å | 1.52Å | |
| C47 | C48 | sing | 1.53Å | 1.51Å | |
| N38 | C37 | sing | 1.47Å | 1.46Å | |
| C29 | O30 | sing | 1.45Å | 1.40Å | |
| C07 | C06 | sing | 1.53Å | 1.52Å | |
| O30 | C31 | sing | 1.34Å | 1.39Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C48 | C49 | sing | 1.53Å | 1.52Å | |
| C49 | C50 | sing | 1.53Å | 1.52Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C35 | C34 | sing | 1.53Å | 1.52Å | |
| C31 | O32 | doub | 1.21Å | 1.17Å | |
| C31 | C33 | sing | 1.51Å | 1.52Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C33 | N39 | sing | 1.47Å | 1.45Å | |
| C50 | C51 | sing | 1.53Å | 1.52Å | |
| C51 | C52 | sing | 1.53Å | 1.52Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| C53 | C52 | sing | 1.53Å | 1.52Å | |
| C53 | C54 | sing | 1.53Å | 1.52Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C54 | C55 | sing | 1.53Å | 1.52Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C55 | C56 | sing | 1.53Å | 1.52Å | |
| C56 | C57 | sing | 1.53Å | 1.52Å | |
| C57 | C58 | sing | 1.53Å | 1.52Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C02 | H14 | sing | 1.09Å | 1.10Å | |
| C02 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| C03 | H17 | sing | 1.09Å | 1.10Å | |
| C04 | H18 | sing | 1.09Å | 1.10Å | |
| C04 | H19 | sing | 1.09Å | 1.10Å | |
| C05 | H20 | sing | 1.09Å | 1.10Å | |
| C05 | H21 | sing | 1.09Å | 1.10Å | |
| C06 | H22 | sing | 1.09Å | 1.10Å | |
| C06 | H23 | sing | 1.09Å | 1.10Å | |
| C07 | H24 | sing | 1.09Å | 1.10Å | |
| C07 | H25 | sing | 1.09Å | 1.10Å | |
| C08 | H26 | sing | 1.09Å | 1.10Å | |
| C08 | H27 | sing | 1.09Å | 1.10Å | |
| C09 | H28 | sing | 1.09Å | 1.10Å | |
| C09 | H29 | sing | 1.09Å | 1.10Å | |
| C11 | H30 | sing | 1.09Å | 1.10Å | |
| C11 | H31 | sing | 1.09Å | 1.10Å | |
| C12 | H32 | sing | 1.09Å | 1.10Å | |
| C12 | H33 | sing | 1.09Å | 1.10Å | |
| C14 | H34 | sing | 1.09Å | 1.10Å | |
| C14 | H35 | sing | 1.09Å | 1.10Å | |
| C19 | H36 | sing | 1.09Å | 1.10Å | |
| C19 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.09Å | 1.10Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| C34 | H43 | sing | 1.09Å | 1.10Å | |
| C34 | H44 | sing | 1.09Å | 1.10Å | |
| C35 | H45 | sing | 1.09Å | 1.10Å | |
| C35 | H46 | sing | 1.09Å | 1.10Å | |
| C36 | H47 | sing | 1.09Å | 1.10Å | |
| C36 | H48 | sing | 1.09Å | 1.10Å | |
| C37 | H49 | sing | 1.09Å | 1.10Å | |
| C37 | H50 | sing | 1.09Å | 1.10Å | |
| C44 | H51 | sing | 1.09Å | 1.10Å | |
| C44 | H52 | sing | 1.09Å | 1.10Å | |
| C45 | H53 | sing | 1.09Å | 1.10Å | |
| C45 | H54 | sing | 1.09Å | 1.10Å | |
| C46 | H55 | sing | 1.09Å | 1.10Å | |
| C46 | H56 | sing | 1.09Å | 1.10Å | |
| C47 | H57 | sing | 1.09Å | 1.10Å | |
| C47 | H58 | sing | 1.09Å | 1.10Å | |
| C48 | H59 | sing | 1.09Å | 1.10Å | |
| C48 | H60 | sing | 1.09Å | 1.10Å | |
| C49 | H61 | sing | 1.09Å | 1.10Å | |
| C49 | H62 | sing | 1.09Å | 1.10Å | |
| C50 | H63 | sing | 1.09Å | 1.10Å | |
| C50 | H64 | sing | 1.09Å | 1.10Å | |
| C51 | H65 | sing | 1.09Å | 1.10Å | |
| C51 | H66 | sing | 1.09Å | 1.10Å | |
| C52 | H67 | sing | 1.09Å | 1.10Å | |
| C52 | H68 | sing | 1.09Å | 1.10Å | |
| C53 | H69 | sing | 1.09Å | 1.10Å | |
| C53 | H70 | sing | 1.09Å | 1.10Å | |
| C54 | H71 | sing | 1.09Å | 1.10Å | |
| C54 | H72 | sing | 1.09Å | 1.10Å | |
| C55 | H73 | sing | 1.09Å | 1.10Å | |
| C55 | H74 | sing | 1.09Å | 1.10Å | |
| C56 | H75 | sing | 1.09Å | 1.10Å | |
| C56 | H76 | sing | 1.09Å | 1.10Å | |
| C57 | H77 | sing | 1.09Å | 1.10Å | |
| C57 | H78 | sing | 1.09Å | 1.10Å | |
| C58 | H79 | sing | 1.09Å | 1.10Å | |
| C58 | H80 | sing | 1.09Å | 1.10Å | |
| C58 | H81 | sing | 1.09Å | 1.10Å | |
| N38 | H82 | sing | 1.01Å | 1.00Å | |
| N38 | H83 | sing | 1.01Å | 1.00Å | |
| N39 | H85 | sing | 1.01Å | 1.00Å | |
| N39 | H86 | sing | 1.01Å | 1.00Å | |
| O25 | H88 | sing | 0.97Å | 0.95Å | |
| O40 | H89 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O24 | P23 | O22 | 110.9° | 109.5° |
| O24 | P23 | O25 | 109.5° | 109.5° |
| O24 | P23 | O26 | 110.3° | 109.5° |
| O18 | C19 | C20 | 108.0° | 109.5° |
| C19 | O18 | C16 | 112.2° | 117.0° |
| O18 | C19 | H36 | 109.8° | 109.5° |
| O18 | C19 | H37 | 109.8° | 109.5° |
| C19 | C20 | O41 | 109.2° | 109.4° |
| C19 | C20 | C21 | 108.7° | 109.5° |
| C19 | C20 | H7 | 108.6° | 109.5° |
| C20 | C19 | H36 | 109.8° | 109.5° |
| C20 | C19 | H37 | 109.8° | 109.5° |
| O18 | C16 | C15 | 120.1° | 120.0° |
| O18 | C16 | O17 | 119.8° | 120.0° |
| O22 | P23 | O25 | 107.6° | 109.4° |
| O22 | P23 | O26 | 109.5° | 109.5° |
| P23 | O22 | C21 | 113.9° | 123.0° |
| O25 | P23 | O26 | 108.9° | 109.5° |
| P23 | O25 | H88 | 109.5° | 114.0° |
| P23 | O26 | C27 | 116.3° | 123.0° |
| O43 | C42 | O41 | 120.8° | 120.0° |
| O43 | C42 | C44 | 120.1° | 120.0° |
| O22 | C21 | C20 | 110.3° | 109.5° |
| O22 | C21 | H8 | 109.3° | 109.5° |
| O22 | C21 | H9 | 109.3° | 109.5° |
| C20 | O41 | C42 | 111.0° | 117.0° |
| O41 | C20 | C21 | 111.0° | 109.5° |
| O41 | C20 | H7 | 110.6° | 109.5° |
| O41 | C42 | C44 | 119.1° | 120.0° |
| C16 | C15 | C14 | 111.4° | 109.5° |
| C15 | C16 | O17 | 120.1° | 120.0° |
| C16 | C15 | H5 | 109.0° | 109.5° |
| C16 | C15 | H6 | 109.0° | 109.4° |
| C15 | C14 | C13 | 112.2° | 109.5° |
| C14 | C15 | H5 | 109.0° | 109.5° |
| C14 | C15 | H6 | 109.0° | 109.4° |
| C15 | C14 | H34 | 108.8° | 109.4° |
| C15 | C14 | H35 | 108.8° | 109.5° |
| C21 | C20 | H7 | 108.7° | 109.5° |
| C20 | C21 | H8 | 109.3° | 109.5° |
| C20 | C21 | H9 | 109.3° | 109.4° |
| C42 | C44 | C45 | 112.8° | 109.5° |
| C42 | C44 | H51 | 108.6° | 109.4° |
| C42 | C44 | H52 | 108.6° | 109.5° |
| O26 | C27 | C28 | 109.7° | 109.5° |
| O26 | C27 | H38 | 109.4° | 109.5° |
| O26 | C27 | H39 | 109.4° | 109.4° |
| C14 | C13 | C12 | 111.8° | 109.5° |
| C14 | C13 | H3 | 108.9° | 109.5° |
| C14 | C13 | H4 | 108.9° | 109.5° |
| C13 | C14 | H34 | 108.8° | 109.5° |
| C13 | C14 | H35 | 108.8° | 109.5° |
| C13 | C12 | C11 | 112.0° | 109.5° |
| C12 | C13 | H3 | 108.9° | 109.5° |
| C12 | C13 | H4 | 108.9° | 109.4° |
| C13 | C12 | H32 | 108.9° | 109.4° |
| C13 | C12 | H33 | 108.9° | 109.5° |
| C12 | C11 | C10 | 112.1° | 109.5° |
| C12 | C11 | H30 | 108.8° | 109.5° |
| C12 | C11 | H31 | 108.8° | 109.4° |
| C11 | C12 | H32 | 108.8° | 109.5° |
| C11 | C12 | H33 | 108.8° | 109.5° |
| C11 | C10 | C09 | 112.3° | 109.5° |
| C11 | C10 | H1 | 108.8° | 109.5° |
| C11 | C10 | H2 | 108.7° | 109.5° |
| C10 | C11 | H30 | 108.8° | 109.4° |
| C10 | C11 | H31 | 108.8° | 109.5° |
| C10 | C09 | C08 | 112.1° | 109.5° |
| C09 | C10 | H1 | 108.8° | 109.5° |
| C09 | C10 | H2 | 108.8° | 109.5° |
| C10 | C09 | H28 | 108.8° | 109.5° |
| C10 | C09 | H29 | 108.8° | 109.4° |
| C44 | C45 | C46 | 112.2° | 109.5° |
| C45 | C44 | H51 | 108.6° | 109.5° |
| C45 | C44 | H52 | 108.6° | 109.4° |
| C44 | C45 | H53 | 108.8° | 109.5° |
| C44 | C45 | H54 | 108.8° | 109.4° |
| C27 | C28 | O40 | 108.8° | 109.5° |
| C27 | C28 | C29 | 108.1° | 109.5° |
| C27 | C28 | H10 | 109.7° | 109.4° |
| C28 | C27 | H38 | 109.4° | 109.5° |
| C28 | C27 | H39 | 109.4° | 109.5° |
| C45 | C46 | C47 | 110.5° | 109.5° |
| C46 | C45 | H53 | 108.8° | 109.5° |
| C46 | C45 | H54 | 108.8° | 109.4° |
| C45 | C46 | H55 | 109.2° | 109.5° |
| C45 | C46 | H56 | 109.2° | 109.4° |
| C09 | C08 | C07 | 112.4° | 109.5° |
| C09 | C08 | H26 | 108.7° | 109.5° |
| C09 | C08 | H27 | 108.7° | 109.5° |
| C08 | C09 | H28 | 108.8° | 109.5° |
| C08 | C09 | H29 | 108.8° | 109.4° |
| O40 | C28 | C29 | 109.1° | 109.5° |
| O40 | C28 | H10 | 111.6° | 109.4° |
| C28 | O40 | H89 | 109.5° | 114.0° |
| C28 | C29 | O30 | 107.5° | 109.5° |
| C29 | C28 | H10 | 109.6° | 109.5° |
| C28 | C29 | H40 | 109.9° | 109.4° |
| C28 | C29 | H41 | 109.9° | 109.4° |
| C46 | C47 | C48 | 113.1° | 109.4° |
| C47 | C46 | H55 | 109.2° | 109.5° |
| C47 | C46 | H56 | 109.2° | 109.5° |
| C46 | C47 | H57 | 108.5° | 109.4° |
| C46 | C47 | H58 | 108.5° | 109.4° |
| C08 | C07 | C06 | 112.0° | 109.5° |
| C08 | C07 | H24 | 108.8° | 109.5° |
| C08 | C07 | H25 | 108.8° | 109.5° |
| C07 | C08 | H26 | 108.7° | 109.5° |
| C07 | C08 | H27 | 108.7° | 109.4° |
| C47 | C48 | C49 | 110.2° | 109.4° |
| C48 | C47 | H57 | 108.6° | 109.5° |
| C48 | C47 | H58 | 108.6° | 109.5° |
| C47 | C48 | H59 | 109.3° | 109.5° |
| C47 | C48 | H60 | 109.3° | 109.5° |
| N38 | C37 | C36 | 110.5° | 109.5° |
| N38 | C37 | H49 | 109.2° | 109.5° |
| N38 | C37 | H50 | 109.2° | 109.4° |
| C37 | N38 | H82 | 109.5° | 111.0° |
| C37 | N38 | H83 | 109.5° | 111.0° |
| C29 | O30 | C31 | 113.2° | 117.0° |
| O30 | C29 | H40 | 109.9° | 109.5° |
| O30 | C29 | H41 | 110.0° | 109.5° |
| C07 | C06 | C05 | 112.4° | 109.5° |
| C07 | C06 | H22 | 108.7° | 109.5° |
| C07 | C06 | H23 | 108.7° | 109.5° |
| C06 | C07 | H24 | 108.8° | 109.5° |
| C06 | C07 | H25 | 108.8° | 109.5° |
| O30 | C31 | O32 | 120.2° | 120.0° |
| O30 | C31 | C33 | 120.1° | 120.0° |
| C37 | C36 | C35 | 111.4° | 109.5° |
| C37 | C36 | H47 | 109.0° | 109.5° |
| C37 | C36 | H48 | 109.0° | 109.4° |
| C36 | C37 | H49 | 109.2° | 109.5° |
| C36 | C37 | H50 | 109.2° | 109.4° |
| C48 | C49 | C50 | 111.8° | 109.5° |
| C49 | C48 | H59 | 109.3° | 109.5° |
| C49 | C48 | H60 | 109.3° | 109.4° |
| C48 | C49 | H61 | 108.9° | 109.5° |
| C48 | C49 | H62 | 108.9° | 109.5° |
| C49 | C50 | C51 | 111.6° | 109.5° |
| C50 | C49 | H61 | 108.9° | 109.5° |
| C50 | C49 | H62 | 108.9° | 109.4° |
| C49 | C50 | H63 | 109.0° | 109.5° |
| C49 | C50 | H64 | 108.9° | 109.4° |
| C06 | C05 | C04 | 112.2° | 109.5° |
| C06 | C05 | H20 | 108.8° | 109.5° |
| C06 | C05 | H21 | 108.8° | 109.5° |
| C05 | C06 | H22 | 108.7° | 109.5° |
| C05 | C06 | H23 | 108.8° | 109.4° |
| C36 | C35 | C34 | 111.2° | 109.5° |
| C36 | C35 | H45 | 109.0° | 109.4° |
| C36 | C35 | H46 | 109.0° | 109.5° |
| C35 | C36 | H47 | 109.0° | 109.5° |
| C35 | C36 | H48 | 109.0° | 109.4° |
| C35 | C34 | C33 | 112.9° | 109.5° |
| C35 | C34 | H43 | 108.6° | 109.5° |
| C35 | C34 | H44 | 108.6° | 109.5° |
| C34 | C35 | H45 | 109.0° | 109.5° |
| C34 | C35 | H46 | 109.1° | 109.5° |
| O32 | C31 | C33 | 119.7° | 120.0° |
| C31 | C33 | C34 | 108.5° | 109.5° |
| C31 | C33 | N39 | 108.7° | 109.5° |
| C31 | C33 | H42 | 109.8° | 109.4° |
| C05 | C04 | C03 | 112.4° | 109.5° |
| C05 | C04 | H18 | 108.8° | 109.5° |
| C05 | C04 | H19 | 108.7° | 109.4° |
| C04 | C05 | H20 | 108.8° | 109.5° |
| C04 | C05 | H21 | 108.8° | 109.4° |
| C34 | C33 | N39 | 109.4° | 109.5° |
| C34 | C33 | H42 | 109.8° | 109.4° |
| C33 | C34 | H43 | 108.6° | 109.5° |
| C33 | C34 | H44 | 108.6° | 109.5° |
| N39 | C33 | H42 | 110.7° | 109.5° |
| C33 | N39 | H85 | 109.5° | 111.0° |
| C33 | N39 | H86 | 109.5° | 111.0° |
| C50 | C51 | C52 | 112.4° | 109.5° |
| C51 | C50 | H63 | 108.9° | 109.5° |
| C51 | C50 | H64 | 108.9° | 109.4° |
| C50 | C51 | H65 | 108.7° | 109.5° |
| C50 | C51 | H66 | 108.7° | 109.4° |
| C51 | C52 | C53 | 112.7° | 109.5° |
| C52 | C51 | H65 | 108.7° | 109.5° |
| C52 | C51 | H66 | 108.7° | 109.4° |
| C51 | C52 | H67 | 108.7° | 109.5° |
| C51 | C52 | H68 | 108.6° | 109.4° |
| C04 | C03 | C02 | 112.1° | 109.5° |
| C04 | C03 | H16 | 108.8° | 109.5° |
| C04 | C03 | H17 | 108.8° | 109.4° |
| C03 | C04 | H18 | 108.7° | 109.5° |
| C03 | C04 | H19 | 108.7° | 109.5° |
| C52 | C53 | C54 | 110.6° | 109.4° |
| C53 | C52 | H67 | 108.6° | 109.5° |
| C53 | C52 | H68 | 108.7° | 109.5° |
| C52 | C53 | H69 | 109.2° | 109.5° |
| C52 | C53 | H70 | 109.2° | 109.5° |
| C53 | C54 | C55 | 110.4° | 109.4° |
| C54 | C53 | H69 | 109.2° | 109.5° |
| C54 | C53 | H70 | 109.2° | 109.4° |
| C53 | C54 | H71 | 109.2° | 109.5° |
| C53 | C54 | H72 | 109.2° | 109.5° |
| C03 | C02 | C01 | 112.3° | 109.5° |
| C03 | C02 | H14 | 108.7° | 109.4° |
| C03 | C02 | H15 | 108.8° | 109.5° |
| C02 | C03 | H16 | 108.8° | 109.5° |
| C02 | C03 | H17 | 108.8° | 109.5° |
| C54 | C55 | C56 | 113.1° | 109.4° |
| C55 | C54 | H71 | 109.3° | 109.4° |
| C55 | C54 | H72 | 109.2° | 109.4° |
| C54 | C55 | H73 | 108.5° | 109.4° |
| C54 | C55 | H74 | 108.5° | 109.4° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C02 | C01 | H12 | 109.5° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.4° |
| C01 | C02 | H14 | 108.8° | 109.5° |
| C01 | C02 | H15 | 108.8° | 109.5° |
| C55 | C56 | C57 | 111.5° | 109.4° |
| C56 | C55 | H73 | 108.5° | 109.5° |
| C56 | C55 | H74 | 108.6° | 109.5° |
| C55 | C56 | H75 | 109.0° | 109.5° |
| C55 | C56 | H76 | 109.0° | 109.5° |
| C56 | C57 | C58 | 112.8° | 109.5° |
| C57 | C56 | H75 | 109.0° | 109.5° |
| C57 | C56 | H76 | 109.0° | 109.5° |
| C56 | C57 | H77 | 108.6° | 109.5° |
| C56 | C57 | H78 | 108.6° | 109.5° |
| C58 | C57 | H77 | 108.7° | 109.5° |
| C58 | C57 | H78 | 108.7° | 109.4° |
| C57 | C58 | H79 | 109.5° | 109.5° |
| C57 | C58 | H80 | 109.5° | 109.5° |
| C57 | C58 | H81 | 109.4° | 109.4° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H5 | C15 | H6 | 109.5° | 109.5° |
| H8 | C21 | H9 | 109.5° | 109.4° |
| H11 | C01 | H12 | 109.4° | 109.5° |
| H11 | C01 | H13 | 109.5° | 109.5° |
| H12 | C01 | H13 | 109.5° | 109.5° |
| H14 | C02 | H15 | 109.5° | 109.5° |
| H16 | C03 | H17 | 109.5° | 109.5° |
| H18 | C04 | H19 | 109.5° | 109.5° |
| H20 | C05 | H21 | 109.5° | 109.4° |
| H22 | C06 | H23 | 109.5° | 109.5° |
| H24 | C07 | H25 | 109.5° | 109.4° |
| H26 | C08 | H27 | 109.5° | 109.5° |
| H28 | C09 | H29 | 109.5° | 109.5° |
| H30 | C11 | H31 | 109.5° | 109.5° |
| H32 | C12 | H33 | 109.5° | 109.5° |
| H34 | C14 | H35 | 109.4° | 109.5° |
| H36 | C19 | H37 | 109.5° | 109.4° |
| H38 | C27 | H39 | 109.5° | 109.4° |
| H40 | C29 | H41 | 109.5° | 109.4° |
| H43 | C34 | H44 | 109.5° | 109.4° |
| H45 | C35 | H46 | 109.5° | 109.4° |
| H47 | C36 | H48 | 109.5° | 109.5° |
| H49 | C37 | H50 | 109.5° | 109.5° |
| H51 | C44 | H52 | 109.4° | 109.5° |
| H53 | C45 | H54 | 109.5° | 109.5° |
| H55 | C46 | H56 | 109.4° | 109.5° |
| H57 | C47 | H58 | 109.5° | 109.5° |
| H59 | C48 | H60 | 109.5° | 109.5° |
| H61 | C49 | H62 | 109.5° | 109.5° |
| H63 | C50 | H64 | 109.5° | 109.5° |
| H65 | C51 | H66 | 109.5° | 109.5° |
| H67 | C52 | H68 | 109.5° | 109.5° |
| H69 | C53 | H70 | 109.5° | 109.5° |
| H71 | C54 | H72 | 109.5° | 109.5° |
| H73 | C55 | H74 | 109.5° | 109.5° |
| H75 | C56 | H76 | 109.5° | 109.5° |
| H77 | C57 | H78 | 109.5° | 109.5° |
| H79 | C58 | H80 | 109.5° | 109.5° |
| H79 | C58 | H81 | 109.5° | 109.5° |
| H80 | C58 | H81 | 109.5° | 109.5° |
| H82 | N38 | H83 | 109.5° | 111.0° |
| H85 | N39 | H86 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O24 | P23 | O22 | O25 | 119.8° | 120.0° |
| O24 | P23 | O22 | O26 | 122.0° | 120.0° |
| O24 | P23 | O25 | O26 | 120.7° | 120.0° |
| O24 | P23 | O22 | C21 | 129.5° | 55.0° |
| O24 | P23 | O26 | C27 | 172.6° | 55.1° |
| O24 | P23 | O25 | H88 | 0.0° | 180.0° |
| O18 | C19 | C20 | H36 | 119.8° | 120.1° |
| O18 | C19 | C20 | H37 | 119.8° | 120.0° |
| O18 | C19 | C20 | O41 | 178.1° | 65.0° |
| C19 | O18 | C16 | C15 | 53.4° | 180.0° |
| O18 | C19 | C20 | C21 | 60.7° | 55.0° |
| C19 | O18 | C16 | O17 | 125.7° | 0.0° |
| O18 | C19 | C20 | H7 | 57.4° | 175.0° |
| O18 | C19 | H36 | H37 | 120.7° | 120.0° |
| C20 | C19 | O18 | C16 | 79.5° | 180.0° |
| C19 | C20 | C21 | O22 | 107.8° | 55.0° |
| C19 | C20 | O41 | C21 | 119.8° | 120.0° |
| C19 | C20 | O41 | H7 | 119.5° | 120.0° |
| C19 | C20 | O41 | C42 | 73.2° | 150.0° |
| C19 | C20 | C21 | H7 | 118.0° | 120.0° |
| C19 | C20 | C21 | H8 | 132.1° | 65.1° |
| C19 | C20 | C21 | H9 | 12.3° | 175.0° |
| C20 | C19 | H36 | H37 | 120.7° | 120.0° |
| O18 | C16 | C15 | O17 | 179.1° | 180.0° |
| O18 | C16 | C15 | C14 | 128.7° | 180.0° |
| O18 | C16 | C15 | H5 | 111.1° | 59.9° |
| O18 | C16 | C15 | H6 | 8.4° | 60.1° |
| C16 | O18 | C19 | H36 | 40.3° | 60.0° |
| C16 | O18 | C19 | H37 | 160.8° | 60.0° |
| O22 | P23 | O25 | O26 | 118.6° | 120.0° |
| P23 | O22 | C21 | C20 | 179.7° | 180.0° |
| O22 | P23 | O26 | C27 | 65.1° | 175.0° |
| P23 | O22 | C21 | H8 | 60.2° | 60.0° |
| P23 | O22 | C21 | H9 | 59.6° | 60.0° |
| O22 | P23 | O25 | H88 | 120.7° | 60.1° |
| O25 | P23 | O22 | C21 | 9.8° | 65.0° |
| O25 | P23 | O26 | C27 | 52.4° | 65.0° |
| O26 | P23 | O22 | C21 | 108.5° | 175.0° |
| P23 | O26 | C27 | C28 | 170.9° | 180.0° |
| P23 | O26 | C27 | H38 | 50.8° | 59.9° |
| P23 | O26 | C27 | H39 | 69.1° | 60.0° |
| O26 | P23 | O25 | H88 | 120.7° | 59.9° |
| O43 | C42 | O41 | C20 | 113.8° | 0.1° |
| O43 | C42 | O41 | C44 | 178.8° | 179.9° |
| O43 | C42 | C44 | C45 | 24.4° | 0.0° |
| O43 | C42 | C44 | H51 | 144.9° | 120.1° |
| O43 | C42 | C44 | H52 | 96.1° | 119.9° |
| O22 | C21 | C20 | O41 | 12.3° | 65.0° |
| O22 | C21 | C20 | H8 | 120.1° | 120.1° |
| O22 | C21 | C20 | H9 | 120.1° | 120.0° |
| O22 | C21 | C20 | H7 | 134.1° | 175.0° |
| O22 | C21 | H8 | H9 | 119.6° | 120.0° |
| O41 | C20 | C21 | H7 | 121.8° | 120.0° |
| C20 | O41 | C42 | C44 | 65.0° | 180.0° |
| O41 | C20 | C21 | H8 | 107.8° | 175.0° |
| O41 | C20 | C21 | H9 | 132.4° | 55.0° |
| O41 | C20 | C19 | H36 | 58.3° | 55.1° |
| O41 | C20 | C19 | H37 | 62.1° | 175.0° |
| C42 | O41 | C20 | C21 | 166.9° | 90.1° |
| O41 | C42 | C44 | C45 | 156.8° | 179.9° |
| C42 | O41 | C20 | H7 | 46.3° | 30.0° |
| O41 | C42 | C44 | H51 | 36.3° | 60.1° |
| O41 | C42 | C44 | H52 | 82.7° | 60.0° |
| C16 | C15 | C14 | H5 | 120.3° | 120.0° |
| C16 | C15 | C14 | H6 | 120.3° | 119.9° |
| C16 | C15 | C14 | C13 | 169.1° | 180.0° |
| C16 | C15 | H5 | H6 | 119.1° | 120.0° |
| C16 | C15 | C14 | H34 | 70.4° | 60.0° |
| C16 | C15 | C14 | H35 | 48.7° | 60.0° |
| C14 | C15 | C16 | O17 | 50.5° | 0.0° |
| C15 | C14 | C13 | H34 | 120.4° | 120.0° |
| C15 | C14 | C13 | H35 | 120.4° | 120.0° |
| C15 | C14 | C13 | C12 | 117.6° | 179.9° |
| C15 | C14 | C13 | H3 | 122.1° | 60.0° |
| C15 | C14 | C13 | H4 | 2.7° | 60.0° |
| C14 | C15 | H5 | H6 | 119.1° | 120.0° |
| C15 | C14 | H34 | H35 | 118.7° | 120.0° |
| C20 | C21 | H8 | H9 | 119.6° | 119.9° |
| C21 | C20 | C19 | H36 | 179.6° | 175.0° |
| C21 | C20 | C19 | H37 | 59.1° | 65.0° |
| O17 | C16 | C15 | H5 | 69.8° | 120.0° |
| O17 | C16 | C15 | H6 | 170.8° | 119.9° |
| C42 | C44 | C45 | H51 | 120.5° | 120.0° |
| C42 | C44 | C45 | H52 | 120.5° | 120.0° |
| C42 | C44 | C45 | C46 | 132.2° | 180.0° |
| C42 | C44 | H51 | H52 | 118.5° | 120.0° |
| C42 | C44 | C45 | H53 | 107.4° | 60.0° |
| C42 | C44 | C45 | H54 | 11.8° | 60.0° |
| O26 | C27 | C28 | H38 | 120.0° | 120.1° |
| O26 | C27 | C28 | H39 | 120.0° | 120.0° |
| O26 | C27 | C28 | O40 | 68.9° | 64.9° |
| O26 | C27 | C28 | C29 | 172.8° | 175.0° |
| O26 | C27 | C28 | H10 | 53.3° | 55.0° |
| O26 | C27 | H38 | H39 | 119.9° | 120.0° |
| C14 | C13 | C12 | H3 | 120.4° | 120.1° |
| C14 | C13 | C12 | H4 | 120.3° | 119.9° |
| C14 | C13 | C12 | C11 | 173.6° | 180.0° |
| C14 | C13 | H3 | H4 | 118.9° | 120.0° |
| C13 | C14 | C15 | H5 | 48.8° | 60.0° |
| C13 | C14 | C15 | H6 | 70.6° | 60.0° |
| C14 | C13 | C12 | H32 | 66.0° | 60.0° |
| C14 | C13 | C12 | H33 | 53.2° | 60.0° |
| C13 | C14 | H34 | H35 | 118.8° | 120.0° |
| C13 | C12 | C11 | H32 | 120.4° | 119.9° |
| C13 | C12 | C11 | H33 | 120.4° | 120.1° |
| C13 | C12 | C11 | C10 | 174.9° | 179.9° |
| C12 | C13 | H3 | H4 | 119.0° | 119.9° |
| C13 | C12 | C11 | H30 | 64.7° | 60.0° |
| C13 | C12 | C11 | H31 | 54.5° | 60.0° |
| C13 | C12 | H32 | H33 | 118.9° | 120.0° |
| C12 | C13 | C14 | H34 | 2.8° | 60.0° |
| C12 | C13 | C14 | H35 | 122.0° | 60.0° |
| C12 | C11 | C10 | H30 | 120.4° | 120.0° |
| C12 | C11 | C10 | H31 | 120.4° | 120.0° |
| C12 | C11 | C10 | C09 | 155.6° | 180.0° |
| C12 | C11 | C10 | H1 | 84.0° | 60.0° |
| C12 | C11 | C10 | H2 | 35.2° | 60.0° |
| C11 | C12 | C13 | H3 | 53.2° | 59.9° |
| C11 | C12 | C13 | H4 | 66.1° | 60.1° |
| C12 | C11 | H30 | H31 | 118.8° | 120.0° |
| C11 | C12 | H32 | H33 | 118.8° | 120.0° |
| C11 | C10 | C09 | H1 | 120.4° | 120.0° |
| C11 | C10 | C09 | H2 | 120.4° | 120.1° |
| C11 | C10 | C09 | C08 | 109.9° | 180.0° |
| C11 | C10 | H1 | H2 | 118.7° | 120.0° |
| C11 | C10 | C09 | H28 | 10.5° | 59.9° |
| C11 | C10 | C09 | H29 | 129.7° | 60.0° |
| C10 | C11 | H30 | H31 | 118.8° | 120.0° |
| C10 | C11 | C12 | H32 | 54.5° | 60.0° |
| C10 | C11 | C12 | H33 | 64.7° | 60.0° |
| C10 | C09 | C08 | H28 | 120.4° | 120.0° |
| C10 | C09 | C08 | H29 | 120.4° | 120.0° |
| C10 | C09 | C08 | C07 | 158.8° | 180.0° |
| C09 | C10 | H1 | H2 | 118.7° | 120.0° |
| C10 | C09 | C08 | H26 | 80.7° | 60.0° |
| C10 | C09 | C08 | H27 | 38.4° | 60.0° |
| C10 | C09 | H28 | H29 | 118.8° | 120.0° |
| C09 | C10 | C11 | H30 | 35.2° | 60.0° |
| C09 | C10 | C11 | H31 | 84.0° | 60.0° |
| C44 | C45 | C46 | H53 | 120.4° | 120.0° |
| C44 | C45 | C46 | H54 | 120.4° | 119.9° |
| C44 | C45 | C46 | C47 | 171.1° | 180.0° |
| C45 | C44 | H51 | H52 | 118.5° | 120.0° |
| C44 | C45 | H53 | H54 | 118.8° | 120.0° |
| C44 | C45 | C46 | H55 | 68.7° | 60.0° |
| C44 | C45 | C46 | H56 | 50.9° | 60.0° |
| C27 | C28 | O40 | C29 | 117.6° | 120.1° |
| C27 | C28 | O40 | H10 | 121.1° | 119.9° |
| C27 | C28 | C29 | H10 | 119.5° | 120.0° |
| C27 | C28 | C29 | O30 | 124.2° | 175.0° |
| C28 | C27 | H38 | H39 | 119.9° | 120.0° |
| C27 | C28 | C29 | H40 | 4.6° | 65.0° |
| C27 | C28 | C29 | H41 | 116.1° | 54.9° |
| C27 | C28 | O40 | H89 | 180.0° | 60.0° |
| C45 | C46 | C47 | H55 | 120.2° | 120.0° |
| C45 | C46 | C47 | H56 | 120.2° | 119.9° |
| C45 | C46 | C47 | C48 | 175.6° | 180.0° |
| C46 | C45 | C44 | H51 | 11.7° | 60.0° |
| C46 | C45 | C44 | H52 | 107.3° | 60.0° |
| C46 | C45 | H53 | H54 | 118.7° | 120.0° |
| C45 | C46 | H55 | H56 | 119.5° | 120.0° |
| C45 | C46 | C47 | H57 | 55.0° | 60.0° |
| C45 | C46 | C47 | H58 | 63.9° | 60.0° |
| C09 | C08 | C07 | H26 | 120.4° | 120.0° |
| C09 | C08 | C07 | H27 | 120.4° | 120.0° |
| C09 | C08 | C07 | C06 | 170.6° | 180.0° |
| C08 | C09 | C10 | H1 | 129.7° | 60.0° |
| C08 | C09 | C10 | H2 | 10.5° | 59.9° |
| C09 | C08 | C07 | H24 | 50.3° | 60.0° |
| C09 | C08 | C07 | H25 | 69.0° | 60.0° |
| C09 | C08 | H26 | H27 | 118.6° | 120.0° |
| C08 | C09 | H28 | H29 | 118.8° | 120.0° |
| O40 | C28 | C29 | H10 | 122.4° | 120.0° |
| O40 | C28 | C29 | O30 | 6.1° | 65.0° |
| O40 | C28 | C27 | H38 | 51.1° | 175.0° |
| O40 | C28 | C27 | H39 | 171.0° | 55.0° |
| O40 | C28 | C29 | H40 | 113.5° | 55.0° |
| O40 | C28 | C29 | H41 | 125.8° | 175.0° |
| C28 | C29 | O30 | H40 | 119.7° | 120.0° |
| C28 | C29 | O30 | H41 | 119.7° | 120.0° |
| C28 | C29 | O30 | C31 | 156.6° | 180.0° |
| C29 | C28 | C27 | H38 | 67.2° | 55.0° |
| C29 | C28 | C27 | H39 | 52.7° | 65.0° |
| C28 | C29 | H40 | H41 | 120.9° | 119.9° |
| C29 | C28 | O40 | H89 | 62.4° | 60.0° |
| C46 | C47 | C48 | H57 | 120.5° | 120.0° |
| C46 | C47 | C48 | H58 | 120.5° | 119.9° |
| C46 | C47 | C48 | C49 | 164.6° | 180.0° |
| C47 | C46 | C45 | H53 | 50.7° | 60.0° |
| C47 | C46 | C45 | H54 | 68.5° | 60.0° |
| C47 | C46 | H55 | H56 | 119.5° | 120.1° |
| C46 | C47 | H57 | H58 | 118.3° | 120.0° |
| C46 | C47 | C48 | H59 | 75.3° | 60.0° |
| C46 | C47 | C48 | H60 | 44.5° | 60.1° |
| C08 | C07 | C06 | H24 | 120.4° | 120.0° |
| C08 | C07 | C06 | H25 | 120.4° | 120.0° |
| C08 | C07 | C06 | C05 | 156.6° | 180.0° |
| C08 | C07 | C06 | H22 | 82.9° | 60.0° |
| C08 | C07 | C06 | H23 | 36.2° | 60.0° |
| C08 | C07 | H24 | H25 | 118.8° | 120.0° |
| C07 | C08 | H26 | H27 | 118.7° | 120.0° |
| C07 | C08 | C09 | H28 | 38.4° | 60.0° |
| C07 | C08 | C09 | H29 | 80.8° | 60.0° |
| C47 | C48 | C49 | H59 | 120.1° | 120.0° |
| C47 | C48 | C49 | H60 | 120.1° | 120.0° |
| C47 | C48 | C49 | C50 | 162.1° | 180.0° |
| C48 | C47 | C46 | H55 | 64.2° | 60.0° |
| C48 | C47 | C46 | H56 | 55.4° | 60.1° |
| C48 | C47 | H57 | H58 | 118.4° | 120.1° |
| C47 | C48 | H59 | H60 | 119.7° | 120.0° |
| C47 | C48 | C49 | H61 | 41.8° | 60.0° |
| C47 | C48 | C49 | H62 | 77.5° | 60.1° |
| N38 | C37 | C36 | H49 | 120.1° | 120.1° |
| N38 | C37 | C36 | H50 | 120.1° | 119.9° |
| N38 | C37 | C36 | C35 | 32.9° | 180.0° |
| N38 | C37 | C36 | H47 | 87.3° | 59.9° |
| N38 | C37 | C36 | H48 | 153.3° | 60.1° |
| N38 | C37 | H49 | H50 | 119.5° | 120.0° |
| C37 | N38 | H82 | H83 | 120.0° | 124.0° |
| C29 | O30 | C31 | O32 | 55.5° | 0.0° |
| C29 | O30 | C31 | C33 | 124.3° | 180.0° |
| O30 | C29 | C28 | H10 | 116.3° | 55.0° |
| O30 | C29 | H40 | H41 | 120.9° | 120.1° |
| C07 | C06 | C05 | H22 | 120.4° | 120.0° |
| C07 | C06 | C05 | H23 | 120.4° | 120.0° |
| C07 | C06 | C05 | C04 | 165.2° | 180.0° |
| C07 | C06 | C05 | H20 | 44.9° | 60.0° |
| C07 | C06 | C05 | H21 | 74.4° | 60.0° |
| C07 | C06 | H22 | H23 | 118.7° | 120.0° |
| C06 | C07 | H24 | H25 | 118.8° | 120.0° |
| C06 | C07 | C08 | H26 | 68.9° | 60.0° |
| C06 | C07 | C08 | H27 | 50.2° | 60.0° |
| O30 | C31 | O32 | C33 | 179.8° | 180.0° |
| O30 | C31 | C33 | C34 | 90.4° | 80.0° |
| O30 | C31 | C33 | N39 | 150.8° | 160.0° |
| C31 | O30 | C29 | H40 | 83.7° | 60.0° |
| C31 | O30 | C29 | H41 | 36.9° | 60.0° |
| O30 | C31 | C33 | H42 | 29.5° | 40.0° |
| C37 | C36 | C35 | H47 | 120.3° | 120.1° |
| C37 | C36 | C35 | H48 | 120.3° | 120.0° |
| C37 | C36 | C35 | C34 | 157.2° | 179.9° |
| C37 | C36 | C35 | H45 | 37.0° | 59.9° |
| C37 | C36 | C35 | H46 | 82.5° | 60.0° |
| C37 | C36 | H47 | H48 | 119.1° | 120.0° |
| C36 | C37 | H49 | H50 | 119.6° | 120.0° |
| C36 | C37 | N38 | H82 | 180.0° | 179.9° |
| C36 | C37 | N38 | H83 | 60.0° | 56.0° |
| C48 | C49 | C50 | H61 | 120.3° | 120.0° |
| C48 | C49 | C50 | H62 | 120.4° | 120.0° |
| C48 | C49 | C50 | C51 | 62.9° | 180.0° |
| C49 | C48 | C47 | H57 | 44.1° | 60.0° |
| C49 | C48 | C47 | H58 | 74.9° | 60.1° |
| C49 | C48 | H59 | H60 | 119.7° | 120.0° |
| C48 | C49 | H61 | H62 | 119.0° | 120.1° |
| C48 | C49 | C50 | H63 | 57.4° | 60.0° |
| C48 | C49 | C50 | H64 | 176.8° | 60.0° |
| C49 | C50 | C51 | H63 | 120.3° | 120.0° |
| C49 | C50 | C51 | H64 | 120.3° | 120.0° |
| C49 | C50 | C51 | C52 | 152.9° | 180.0° |
| C50 | C49 | C48 | H59 | 77.8° | 60.0° |
| C50 | C49 | C48 | H60 | 42.0° | 60.0° |
| C50 | C49 | H61 | H62 | 118.9° | 120.0° |
| C49 | C50 | H63 | H64 | 119.0° | 120.0° |
| C49 | C50 | C51 | H65 | 32.5° | 60.0° |
| C49 | C50 | C51 | H66 | 86.6° | 60.0° |
| C06 | C05 | C04 | H20 | 120.4° | 120.0° |
| C06 | C05 | C04 | H21 | 120.4° | 120.0° |
| C06 | C05 | C04 | C03 | 139.3° | NaN° |
| C06 | C05 | C04 | H18 | 100.3° | 60.0° |
| C06 | C05 | C04 | H19 | 18.9° | 60.0° |
| C06 | C05 | H20 | H21 | 118.8° | 120.1° |
| C05 | C06 | H22 | H23 | 118.7° | 120.0° |
| C05 | C06 | C07 | H24 | 36.3° | 60.0° |
| C05 | C06 | C07 | H25 | 83.0° | 60.0° |
| C36 | C35 | C34 | H45 | 120.3° | 120.0° |
| C36 | C35 | C34 | H46 | 120.2° | 120.0° |
| C36 | C35 | C34 | C33 | 159.9° | 180.0° |
| C36 | C35 | C34 | H43 | 39.4° | 60.0° |
| C36 | C35 | C34 | H44 | 79.6° | 60.0° |
| C36 | C35 | H45 | H46 | 119.2° | 120.0° |
| C35 | C36 | H47 | H48 | 119.1° | 120.0° |
| C35 | C36 | C37 | H49 | 153.1° | 60.0° |
| C35 | C36 | C37 | H50 | 87.2° | 60.0° |
| C35 | C34 | C33 | C31 | 83.0° | 175.0° |
| C35 | C34 | C33 | H43 | 120.5° | 120.0° |
| C35 | C34 | C33 | H44 | 120.5° | 120.0° |
| C35 | C34 | C33 | N39 | 158.6° | 65.0° |
| C35 | C34 | C33 | H42 | 36.9° | 55.1° |
| C35 | C34 | H43 | H44 | 118.4° | 120.0° |
| C34 | C35 | H45 | H46 | 119.2° | 120.0° |
| C34 | C35 | C36 | H47 | 82.5° | 60.0° |
| C34 | C35 | C36 | H48 | 36.9° | 60.0° |
| O32 | C31 | C33 | C34 | 89.4° | 100.0° |
| O32 | C31 | C33 | N39 | 29.4° | 20.1° |
| O32 | C31 | C33 | H42 | 150.7° | 140.1° |
| C31 | C33 | C34 | N39 | 118.4° | 120.1° |
| C31 | C33 | C34 | H42 | 119.9° | 119.9° |
| C31 | C33 | N39 | H42 | 120.6° | 120.0° |
| C31 | C33 | C34 | H43 | 37.5° | 65.0° |
| C31 | C33 | C34 | H44 | 156.5° | 55.0° |
| C31 | C33 | N39 | H85 | 180.0° | 63.9° |
| C31 | C33 | N39 | H86 | 60.0° | 60.0° |
| C05 | C04 | C03 | H18 | 120.5° | 120.0° |
| C05 | C04 | C03 | H19 | 120.5° | 119.9° |
| C05 | C04 | C03 | C02 | 143.4° | 180.0° |
| C05 | C04 | C03 | H16 | 96.2° | 60.0° |
| C05 | C04 | C03 | H17 | 23.0° | 60.0° |
| C05 | C04 | H18 | H19 | 118.7° | 120.0° |
| C04 | C05 | H20 | H21 | 118.7° | 119.9° |
| C04 | C05 | C06 | H22 | 74.3° | 60.0° |
| C04 | C05 | C06 | H23 | 44.8° | 60.0° |
| C34 | C33 | N39 | H42 | 121.1° | 120.0° |
| C33 | C34 | H43 | H44 | 118.4° | 120.0° |
| C33 | C34 | C35 | H45 | 79.9° | 60.0° |
| C33 | C34 | C35 | H46 | 39.6° | 59.9° |
| C34 | C33 | N39 | H85 | 61.7° | 176.1° |
| C34 | C33 | N39 | H86 | 178.3° | 60.0° |
| N39 | C33 | C34 | H43 | 80.9° | 55.0° |
| N39 | C33 | C34 | H44 | 38.1° | 175.0° |
| C33 | N39 | H85 | H86 | 120.0° | 123.9° |
| C50 | C51 | C52 | H65 | 120.4° | 120.0° |
| C50 | C51 | C52 | H66 | 120.4° | 119.9° |
| C50 | C51 | C52 | C53 | 133.8° | 180.0° |
| C51 | C50 | C49 | H61 | 176.7° | 60.0° |
| C51 | C50 | C49 | H62 | 57.4° | 60.0° |
| C51 | C50 | H63 | H64 | 119.0° | 120.0° |
| C50 | C51 | H65 | H66 | 118.6° | 120.0° |
| C50 | C51 | C52 | H67 | 105.8° | 60.0° |
| C50 | C51 | C52 | H68 | 13.3° | 60.0° |
| C51 | C52 | C53 | H67 | 120.5° | 120.0° |
| C51 | C52 | C53 | H68 | 120.5° | 119.9° |
| C51 | C52 | C53 | C54 | 131.8° | 180.0° |
| C52 | C51 | C50 | H63 | 86.7° | 60.0° |
| C52 | C51 | C50 | H64 | 32.6° | 60.0° |
| C52 | C51 | H65 | H66 | 118.7° | 120.0° |
| C51 | C52 | H67 | H68 | 118.5° | 120.0° |
| C51 | C52 | C53 | H69 | 11.6° | 60.0° |
| C51 | C52 | C53 | H70 | 108.0° | 60.1° |
| C04 | C03 | C02 | H16 | 120.4° | 120.0° |
| C04 | C03 | C02 | H17 | 120.4° | 120.0° |
| C04 | C03 | C02 | C01 | 135.3° | 180.0° |
| C04 | C03 | C02 | H14 | 104.3° | 60.0° |
| C04 | C03 | C02 | H15 | 14.8° | 60.0° |
| C04 | C03 | H16 | H17 | 118.8° | 120.0° |
| C03 | C04 | H18 | H19 | 118.6° | 120.0° |
| C03 | C04 | C05 | H20 | 18.9° | 60.0° |
| C03 | C04 | C05 | H21 | 100.3° | 60.0° |
| C52 | C53 | C54 | H69 | 120.1° | 120.0° |
| C52 | C53 | C54 | H70 | 120.1° | 120.0° |
| C52 | C53 | C54 | C55 | 73.8° | 180.0° |
| C53 | C52 | C51 | H65 | 13.4° | 60.0° |
| C53 | C52 | C51 | H66 | 105.8° | 60.0° |
| C53 | C52 | H67 | H68 | 118.6° | 120.1° |
| C52 | C53 | H69 | H70 | 119.5° | 120.1° |
| C52 | C53 | C54 | H71 | 46.3° | 60.0° |
| C52 | C53 | C54 | H72 | 166.1° | 60.1° |
| C53 | C54 | C55 | H71 | 120.1° | 120.0° |
| C53 | C54 | C55 | H72 | 120.1° | 120.0° |
| C53 | C54 | C55 | C56 | 122.8° | 180.0° |
| C54 | C53 | C52 | H67 | 107.7° | 60.0° |
| C54 | C53 | C52 | H68 | 11.4° | 60.1° |
| C54 | C53 | H69 | H70 | 119.5° | 120.0° |
| C53 | C54 | H71 | H72 | 119.5° | 120.1° |
| C53 | C54 | C55 | H73 | 116.7° | 60.0° |
| C53 | C54 | C55 | H74 | 2.3° | 60.0° |
| C03 | C02 | C01 | H14 | 120.4° | 120.0° |
| C03 | C02 | C01 | H15 | 120.4° | 120.0° |
| C03 | C02 | C01 | H11 | 180.0° | 60.0° |
| C03 | C02 | C01 | H12 | 60.0° | 180.0° |
| C03 | C02 | C01 | H13 | 60.0° | 60.0° |
| C03 | C02 | H14 | H15 | 118.7° | 120.0° |
| C02 | C03 | H16 | H17 | 118.8° | 120.0° |
| C02 | C03 | C04 | H18 | 22.9° | 60.0° |
| C02 | C03 | C04 | H19 | 96.1° | 60.0° |
| C54 | C55 | C56 | H73 | 120.5° | 119.9° |
| C54 | C55 | C56 | H74 | 120.5° | 120.0° |
| C54 | C55 | C56 | C57 | 171.1° | 180.0° |
| C55 | C54 | C53 | H69 | 166.0° | 60.0° |
| C55 | C54 | C53 | H70 | 46.3° | 60.0° |
| C55 | C54 | H71 | H72 | 119.6° | 120.0° |
| C54 | C55 | H73 | H74 | 118.3° | 120.0° |
| C54 | C55 | C56 | H75 | 50.8° | 60.0° |
| C54 | C55 | C56 | H76 | 68.6° | 60.0° |
| C02 | C01 | H11 | H12 | 120.0° | 120.0° |
| C02 | C01 | H11 | H13 | 120.0° | 119.9° |
| C02 | C01 | H12 | H13 | 120.0° | 119.9° |
| C01 | C02 | H14 | H15 | 118.7° | 120.0° |
| C01 | C02 | C03 | H16 | 14.9° | 60.0° |
| C01 | C02 | C03 | H17 | 104.3° | 60.0° |
| C55 | C56 | C57 | H75 | 120.3° | 120.0° |
| C55 | C56 | C57 | H76 | 120.3° | 120.0° |
| C55 | C56 | C57 | C58 | 143.6° | 180.0° |
| C56 | C55 | C54 | H71 | 2.7° | 60.0° |
| C56 | C55 | C54 | H72 | 117.1° | 60.0° |
| C56 | C55 | H73 | H74 | 118.4° | 120.1° |
| C55 | C56 | H75 | H76 | 119.1° | 120.0° |
| C55 | C56 | C57 | H77 | 95.9° | 60.0° |
| C55 | C56 | C57 | H78 | 23.1° | 60.0° |
| C56 | C57 | C58 | H77 | 120.5° | 120.0° |
| C56 | C57 | C58 | H78 | 120.5° | 120.0° |
| C57 | C56 | C55 | H73 | 68.4° | 60.1° |
| C57 | C56 | C55 | H74 | 50.6° | 60.1° |
| C57 | C56 | H75 | H76 | 119.1° | 120.1° |
| C56 | C57 | H77 | H78 | 118.5° | 120.0° |
| C56 | C57 | C58 | H79 | 180.0° | 180.0° |
| C56 | C57 | C58 | H80 | 60.0° | 60.0° |
| C56 | C57 | C58 | H81 | 60.0° | 60.0° |
| C58 | C57 | C56 | H75 | 23.3° | 60.0° |
| C58 | C57 | C56 | H76 | 96.1° | 60.1° |
| C58 | C57 | H77 | H78 | 118.5° | 120.0° |
| C57 | C58 | H79 | H80 | 120.0° | 120.0° |
| C57 | C58 | H79 | H81 | 120.0° | 120.0° |
| C57 | C58 | H80 | H81 | 120.0° | 120.0° |
| H1 | C10 | C09 | H28 | 110.0° | 60.1° |
| H1 | C10 | C09 | H29 | 9.3° | 179.9° |
| H1 | C10 | C11 | H30 | 155.7° | 179.9° |
| H1 | C10 | C11 | H31 | 36.5° | 60.0° |
| H2 | C10 | C09 | H28 | 130.8° | 180.0° |
| H2 | C10 | C09 | H29 | 109.9° | 60.0° |
| H2 | C10 | C11 | H30 | 85.1° | 60.0° |
| H2 | C10 | C11 | H31 | 155.6° | 180.0° |
| H3 | C13 | C12 | H32 | 173.6° | 60.1° |
| H3 | C13 | C12 | H33 | 67.1° | 180.0° |
| H3 | C13 | C14 | H34 | 117.5° | 180.0° |
| H3 | C13 | C14 | H35 | 1.6° | 60.0° |
| H4 | C13 | C12 | H32 | 54.3° | 180.0° |
| H4 | C13 | C12 | H33 | 173.5° | 60.0° |
| H4 | C13 | C14 | H34 | 123.2° | 59.9° |
| H4 | C13 | C14 | H35 | 117.7° | 179.9° |
| H5 | C15 | C14 | H34 | 169.3° | 180.0° |
| H5 | C15 | C14 | H35 | 71.6° | 60.0° |
| H6 | C15 | C14 | H34 | 49.9° | 59.9° |
| H6 | C15 | C14 | H35 | 169.0° | 179.9° |
| H7 | C20 | C21 | H8 | 14.0° | 54.9° |
| H7 | C20 | C21 | H9 | 105.8° | 65.0° |
| H7 | C20 | C19 | H36 | 62.4° | 64.9° |
| H7 | C20 | C19 | H37 | 177.2° | 55.0° |
| H10 | C28 | C27 | H38 | 173.4° | 65.1° |
| H10 | C28 | C27 | H39 | 66.7° | 175.0° |
| H10 | C28 | C29 | H40 | 124.0° | 175.0° |
| H10 | C28 | C29 | H41 | 3.4° | 65.1° |
| H10 | C28 | O40 | H89 | 58.9° | 180.0° |
| H11 | C01 | H12 | H13 | 120.0° | 120.1° |
| H11 | C01 | C02 | H14 | 59.6° | 180.0° |
| H11 | C01 | C02 | H15 | 59.5° | 60.1° |
| H12 | C01 | C02 | H14 | 179.6° | 60.0° |
| H12 | C01 | C02 | H15 | 60.4° | 60.0° |
| H13 | C01 | C02 | H14 | 60.4° | 60.0° |
| H13 | C01 | C02 | H15 | 179.6° | 180.0° |
| H14 | C02 | C03 | H16 | 135.3° | 180.0° |
| H14 | C02 | C03 | H17 | 16.1° | 60.0° |
| H15 | C02 | C03 | H16 | 105.6° | 60.0° |
| H15 | C02 | C03 | H17 | 135.2° | 180.0° |
| H16 | C03 | C04 | H18 | 143.4° | 180.0° |
| H16 | C03 | C04 | H19 | 24.3° | 60.0° |
| H17 | C03 | C04 | H18 | 97.5° | 60.0° |
| H17 | C03 | C04 | H19 | 143.5° | 180.0° |
| H18 | C04 | C05 | H20 | 139.3° | 180.0° |
| H18 | C04 | C05 | H21 | 20.1° | 60.0° |
| H19 | C04 | C05 | H20 | 101.6° | 60.0° |
| H19 | C04 | C05 | H21 | 139.2° | 180.0° |
| H20 | C05 | C06 | H22 | 165.3° | 180.0° |
| H20 | C05 | C06 | H23 | 75.6° | 60.0° |
| H21 | C05 | C06 | H22 | 46.0° | 60.0° |
| H21 | C05 | C06 | H23 | 165.2° | 180.0° |
| H22 | C06 | C07 | H24 | 156.7° | 180.0° |
| H22 | C06 | C07 | H25 | 37.5° | 60.0° |
| H23 | C06 | C07 | H24 | 84.2° | 60.0° |
| H23 | C06 | C07 | H25 | 156.6° | 179.9° |
| H24 | C07 | C08 | H26 | 170.7° | 180.0° |
| H24 | C07 | C08 | H27 | 70.2° | 60.0° |
| H25 | C07 | C08 | H26 | 51.5° | 60.0° |
| H25 | C07 | C08 | H27 | 170.6° | 180.0° |
| H26 | C08 | C09 | H28 | 158.9° | 60.0° |
| H26 | C08 | C09 | H29 | 39.7° | 180.0° |
| H27 | C08 | C09 | H28 | 82.0° | 180.0° |
| H27 | C08 | C09 | H29 | 158.8° | 60.0° |
| H30 | C11 | C12 | H32 | 174.9° | 60.0° |
| H30 | C11 | C12 | H33 | 55.6° | 180.0° |
| H31 | C11 | C12 | H32 | 65.9° | 180.0° |
| H31 | C11 | C12 | H33 | 174.9° | 60.0° |
| H42 | C33 | C34 | H43 | 157.4° | 175.0° |
| H42 | C33 | C34 | H44 | 83.6° | 65.0° |
| H42 | C33 | N39 | H85 | 59.4° | 56.1° |
| H42 | C33 | N39 | H86 | 60.6° | 180.0° |
| H43 | C34 | C35 | H45 | 159.6° | 180.0° |
| H43 | C34 | C35 | H46 | 80.9° | 60.1° |
| H44 | C34 | C35 | H45 | 40.6° | 60.0° |
| H44 | C34 | C35 | H46 | 160.1° | 180.0° |
| H45 | C35 | C36 | H47 | 157.3° | 180.0° |
| H45 | C35 | C36 | H48 | 83.3° | 60.0° |
| H46 | C35 | C36 | H47 | 37.8° | 60.1° |
| H46 | C35 | C36 | H48 | 157.2° | 180.0° |
| H47 | C36 | C37 | H49 | 32.8° | 180.0° |
| H47 | C36 | C37 | H50 | 152.5° | 60.0° |
| H48 | C36 | C37 | H49 | 86.6° | 60.0° |
| H48 | C36 | C37 | H50 | 33.1° | 180.0° |
| H49 | C37 | N38 | H82 | 59.9° | 60.0° |
| H49 | C37 | N38 | H83 | 60.1° | 176.0° |
| H50 | C37 | N38 | H82 | 59.8° | 60.0° |
| H50 | C37 | N38 | H83 | 179.8° | 64.0° |
| H51 | C44 | C45 | H53 | 132.1° | NaN° |
| H51 | C44 | C45 | H54 | 108.7° | 60.0° |
| H52 | C44 | C45 | H53 | 13.1° | 60.0° |
| H52 | C44 | C45 | H54 | 132.3° | 180.0° |
| H53 | C45 | C46 | H55 | 170.9° | 180.0° |
| H53 | C45 | C46 | H56 | 69.5° | 60.0° |
| H54 | C45 | C46 | H55 | 51.7° | 60.0° |
| H54 | C45 | C46 | H56 | 171.3° | 180.0° |
| H55 | C46 | C47 | H57 | 175.2° | 180.0° |
| H55 | C46 | C47 | H58 | 56.3° | 60.0° |
| H56 | C46 | C47 | H57 | 65.1° | 59.9° |
| H56 | C46 | C47 | H58 | 176.0° | 180.0° |
| H57 | C47 | C48 | H59 | 164.2° | 180.0° |
| H57 | C47 | C48 | H60 | 76.0° | 59.9° |
| H58 | C47 | C48 | H59 | 45.2° | 59.9° |
| H58 | C47 | C48 | H60 | 165.0° | 180.0° |
| H59 | C48 | C49 | H61 | 161.9° | 180.0° |
| H59 | C48 | C49 | H62 | 42.6° | 59.9° |
| H60 | C48 | C49 | H61 | 78.3° | 60.0° |
| H60 | C48 | C49 | H62 | 162.4° | 180.0° |
| H61 | C49 | C50 | H63 | 63.0° | 180.0° |
| H61 | C49 | C50 | H64 | 56.4° | 60.0° |
| H62 | C49 | C50 | H63 | 177.7° | 60.0° |
| H62 | C49 | C50 | H64 | 62.9° | 180.0° |
| H63 | C50 | C51 | H65 | 152.8° | 180.0° |
| H63 | C50 | C51 | H66 | 33.7° | 60.0° |
| H64 | C50 | C51 | H65 | 87.8° | 60.0° |
| H64 | C50 | C51 | H66 | 153.1° | 180.0° |
| H65 | C51 | C52 | H67 | 133.8° | 180.0° |
| H65 | C51 | C52 | H68 | 107.1° | 60.0° |
| H66 | C51 | C52 | H67 | 14.6° | 60.0° |
| H66 | C51 | C52 | H68 | 133.7° | 180.0° |
| H67 | C52 | C53 | H69 | 132.1° | 180.0° |
| H67 | C52 | C53 | H70 | 12.4° | 59.9° |
| H68 | C52 | C53 | H69 | 108.8° | 59.9° |
| H68 | C52 | C53 | H70 | 131.5° | NaN° |
| H69 | C53 | C54 | H71 | 73.8° | 180.0° |
| H69 | C53 | C54 | H72 | 45.9° | 59.9° |
| H70 | C53 | C54 | H71 | 166.5° | 59.9° |
| H70 | C53 | C54 | H72 | 73.8° | 180.0° |
| H71 | C54 | C55 | H73 | 123.2° | 180.0° |
| H71 | C54 | C55 | H74 | 117.9° | 60.0° |
| H72 | C54 | C55 | H73 | 3.4° | 60.0° |
| H72 | C54 | C55 | H74 | 122.4° | 180.0° |
| H73 | C55 | C56 | H75 | 171.3° | 180.0° |
| H73 | C55 | C56 | H76 | 51.9° | 59.9° |
| H74 | C55 | C56 | H75 | 69.8° | 59.9° |
| H74 | C55 | C56 | H76 | 170.9° | 180.0° |
| H75 | C56 | C57 | H77 | 143.8° | 180.0° |
| H75 | C56 | C57 | H78 | 97.2° | 60.0° |
| H76 | C56 | C57 | H77 | 24.4° | 59.9° |
| H76 | C56 | C57 | H78 | 143.4° | 180.0° |
| H77 | C57 | C58 | H79 | 59.5° | 60.0° |
| H77 | C57 | C58 | H80 | 179.5° | 180.0° |
| H77 | C57 | C58 | H81 | 60.5° | 60.0° |
| H78 | C57 | C58 | H79 | 59.5° | 60.0° |
| H78 | C57 | C58 | H80 | 60.5° | 60.0° |
| H78 | C57 | C58 | H81 | 179.5° | 180.0° |
| H79 | C58 | H80 | H81 | 120.0° | 120.0° |
