RQ0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C12 | sing | 1.53Å | 1.61Å | |
| C08 | C17 | sing | 1.51Å | 1.59Å | |
| C12 | C26 | sing | 1.51Å | 1.56Å | |
| C26 | C21 | doub | 1.31Å | 1.38Å | |
| C38 | C17 | sing | 1.51Å | 1.52Å | |
| C21 | C40 | sing | 1.51Å | 1.51Å | |
| C21 | C15 | sing | 1.51Å | 1.58Å | |
| C17 | C24 | doub | 1.31Å | 1.37Å | |
| C15 | C20 | sing | 1.53Å | 1.59Å | |
| C20 | C32 | sing | 1.51Å | 1.56Å | |
| C24 | C10 | sing | 1.51Å | 1.56Å | |
| C48 | C31 | sing | 1.51Å | 1.51Å | |
| C61 | C59 | sing | 1.51Å | 1.51Å | |
| C32 | C31 | doub | 1.31Å | 1.38Å | |
| C31 | C30 | sing | 1.51Å | 1.59Å | |
| C10 | C05 | sing | 1.53Å | 1.59Å | |
| C58 | C59 | doub | 1.31Å | 1.36Å | |
| C58 | C51 | sing | 1.51Å | 1.55Å | |
| C59 | C60 | sing | 1.51Å | 1.53Å | |
| C47 | C51 | sing | 1.53Å | 1.59Å | |
| C47 | C45 | sing | 1.51Å | 1.58Å | |
| C49 | C35 | sing | 1.51Å | 1.49Å | |
| C43 | C45 | doub | 1.31Å | 1.37Å | |
| C43 | C34 | sing | 1.51Å | 1.57Å | |
| C62 | O01 | sing | 1.43Å | 1.38Å | |
| C37 | C16 | sing | 1.51Å | 1.50Å | |
| C30 | C34 | sing | 1.53Å | 1.60Å | |
| C45 | C53 | sing | 1.51Å | 1.51Å | |
| C22 | C09 | sing | 1.51Å | 1.56Å | |
| C22 | C13 | doub | 1.31Å | 1.37Å | |
| C09 | C06 | sing | 1.53Å | 1.59Å | |
| C05 | C13 | sing | 1.51Å | 1.57Å | |
| C13 | C36 | sing | 1.51Å | 1.50Å | |
| O01 | C55 | sing | 1.36Å | 1.39Å | |
| O02 | C52 | doub | 1.21Å | 1.25Å | |
| C29 | C35 | sing | 1.51Å | 1.58Å | |
| C29 | C28 | sing | 1.53Å | 1.58Å | |
| C35 | C42 | doub | 1.31Å | 1.38Å | |
| C16 | C06 | sing | 1.51Å | 1.57Å | |
| C16 | C25 | doub | 1.34Å | 1.37Å | |
| C52 | C55 | sing | 1.47Å | 1.48Å | |
| C52 | C46 | sing | 1.48Å | 1.39Å | |
| C55 | C56 | doub | 1.36Å | 1.34Å | |
| C39 | C19 | sing | 1.51Å | 1.49Å | |
| C42 | C41 | sing | 1.51Å | 1.58Å | |
| C41 | C46 | sing | 1.51Å | 1.52Å | |
| C28 | C33 | sing | 1.51Å | 1.54Å | |
| C11 | C25 | sing | 1.46Å | 1.55Å | |
| C11 | C07 | doub | 1.36Å | 1.59Å | |
| C46 | C50 | doub | 1.34Å | 1.38Å | |
| N04 | C56 | sing | 1.39Å | 1.40Å | |
| C56 | C54 | sing | 1.48Å | 1.49Å | |
| C33 | C23 | doub | 1.34Å | 1.37Å | |
| C19 | C07 | sing | 1.41Å | 1.57Å | |
| C19 | C27 | doub | 1.36Å | 1.36Å | |
| C23 | C14 | sing | 1.46Å | 1.57Å | |
| C23 | C44 | sing | 1.51Å | 1.51Å | |
| C18 | C27 | sing | 1.41Å | 1.55Å | |
| C18 | C14 | doub | 1.36Å | 1.59Å | |
| C50 | C54 | sing | 1.48Å | 1.51Å | |
| C50 | C57 | sing | 1.51Å | 1.46Å | |
| C54 | O03 | doub | 1.21Å | 1.22Å | |
| C05 | H1 | sing | 1.09Å | 1.10Å | |
| C05 | H2 | sing | 1.09Å | 1.10Å | |
| C06 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.08Å | 1.08Å | |
| C26 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | H25 | sing | 1.08Å | 1.08Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H37 | sing | 1.09Å | 1.10Å | |
| C36 | H38 | sing | 1.09Å | 1.10Å | |
| C37 | H39 | sing | 1.09Å | 1.10Å | |
| C37 | H40 | sing | 1.09Å | 1.10Å | |
| C37 | H41 | sing | 1.09Å | 1.10Å | |
| C38 | H42 | sing | 1.09Å | 1.10Å | |
| C38 | H43 | sing | 1.09Å | 1.10Å | |
| C38 | H44 | sing | 1.09Å | 1.10Å | |
| C39 | H45 | sing | 1.09Å | 1.10Å | |
| C39 | H46 | sing | 1.09Å | 1.10Å | |
| C39 | H47 | sing | 1.09Å | 1.10Å | |
| C40 | H48 | sing | 1.09Å | 1.10Å | |
| C40 | H49 | sing | 1.09Å | 1.10Å | |
| C40 | H50 | sing | 1.09Å | 1.10Å | |
| C41 | H51 | sing | 1.09Å | 1.10Å | |
| C41 | H52 | sing | 1.09Å | 1.10Å | |
| C42 | H53 | sing | 1.08Å | 1.08Å | |
| C43 | H54 | sing | 1.08Å | 1.08Å | |
| C44 | H55 | sing | 1.09Å | 1.10Å | |
| C44 | H56 | sing | 1.09Å | 1.10Å | |
| C44 | H57 | sing | 1.09Å | 1.10Å | |
| C47 | H58 | sing | 1.09Å | 1.10Å | |
| C47 | H59 | sing | 1.09Å | 1.10Å | |
| C48 | H60 | sing | 1.09Å | 1.10Å | |
| C48 | H61 | sing | 1.09Å | 1.10Å | |
| C48 | H62 | sing | 1.09Å | 1.10Å | |
| C49 | H63 | sing | 1.09Å | 1.10Å | |
| C49 | H64 | sing | 1.09Å | 1.10Å | |
| C49 | H65 | sing | 1.09Å | 1.10Å | |
| C51 | H66 | sing | 1.09Å | 1.10Å | |
| C51 | H67 | sing | 1.09Å | 1.10Å | |
| C53 | H68 | sing | 1.09Å | 1.10Å | |
| C53 | H69 | sing | 1.09Å | 1.10Å | |
| C53 | H70 | sing | 1.09Å | 1.10Å | |
| C57 | H71 | sing | 1.09Å | 1.10Å | |
| C57 | H72 | sing | 1.09Å | 1.10Å | |
| C57 | H73 | sing | 1.09Å | 1.10Å | |
| C58 | H74 | sing | 1.08Å | 1.08Å | |
| C60 | H75 | sing | 1.09Å | 1.10Å | |
| C60 | H76 | sing | 1.09Å | 1.10Å | |
| C60 | H77 | sing | 1.09Å | 1.10Å | |
| C61 | H78 | sing | 1.09Å | 1.10Å | |
| C61 | H79 | sing | 1.09Å | 1.10Å | |
| C61 | H80 | sing | 1.09Å | 1.10Å | |
| C62 | H81 | sing | 1.09Å | 1.10Å | |
| C62 | H82 | sing | 1.09Å | 1.10Å | |
| C62 | H83 | sing | 1.09Å | 1.10Å | |
| N04 | H84 | sing | 0.97Å | 1.00Å | |
| N04 | H85 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C08 | C17 | 120.0° | 109.5° |
| C08 | C12 | C26 | 121.6° | 109.5° |
| C12 | C08 | H6 | 106.8° | 109.4° |
| C12 | C08 | H7 | 106.8° | 109.5° |
| C08 | C12 | H13 | 106.4° | 109.5° |
| C08 | C12 | H14 | 106.4° | 109.4° |
| C08 | C17 | C38 | 118.0° | 120.0° |
| C08 | C17 | C24 | 123.5° | 120.0° |
| C17 | C08 | H6 | 106.8° | 109.4° |
| C17 | C08 | H7 | 106.8° | 109.5° |
| C12 | C26 | C21 | 127.5° | 119.9° |
| C26 | C12 | H13 | 106.4° | 109.5° |
| C26 | C12 | H14 | 106.4° | 109.4° |
| C12 | C26 | H24 | 116.3° | 120.0° |
| C26 | C21 | C40 | 118.5° | 120.1° |
| C26 | C21 | C15 | 124.8° | 119.9° |
| C21 | C26 | H24 | 116.3° | 120.1° |
| C38 | C17 | C24 | 118.5° | 120.0° |
| C17 | C38 | H42 | 109.5° | 109.5° |
| C17 | C38 | H43 | 109.4° | 109.5° |
| C17 | C38 | H44 | 109.4° | 109.5° |
| C40 | C21 | C15 | 116.7° | 120.0° |
| C21 | C40 | H48 | 109.5° | 109.4° |
| C21 | C40 | H49 | 109.5° | 109.4° |
| C21 | C40 | H50 | 109.5° | 109.5° |
| C21 | C15 | C20 | 119.2° | 109.5° |
| C21 | C15 | H16 | 107.0° | 109.5° |
| C21 | C15 | H17 | 107.0° | 109.4° |
| C17 | C24 | C10 | 127.7° | 120.0° |
| C17 | C24 | H22 | 116.1° | 120.0° |
| C15 | C20 | C32 | 120.2° | 109.5° |
| C20 | C15 | H16 | 107.0° | 109.5° |
| C20 | C15 | H17 | 107.0° | 109.5° |
| C15 | C20 | H19 | 106.7° | 109.5° |
| C15 | C20 | H20 | 106.7° | 109.4° |
| C20 | C32 | C31 | 128.0° | 120.0° |
| C32 | C20 | H19 | 106.7° | 109.5° |
| C32 | C20 | H20 | 106.7° | 109.5° |
| C20 | C32 | H32 | 116.0° | 120.0° |
| C24 | C10 | C05 | 120.8° | 109.5° |
| C24 | C10 | H10 | 106.6° | 109.4° |
| C24 | C10 | H11 | 106.6° | 109.5° |
| C10 | C24 | H22 | 116.1° | 120.0° |
| C48 | C31 | C32 | 118.0° | 120.0° |
| C48 | C31 | C30 | 117.4° | 120.0° |
| C31 | C48 | H60 | 109.5° | 109.4° |
| C31 | C48 | H61 | 109.4° | 109.5° |
| C31 | C48 | H62 | 109.5° | 109.5° |
| C61 | C59 | C58 | 119.7° | 120.1° |
| C61 | C59 | C60 | 117.6° | 120.0° |
| C59 | C61 | H78 | 109.5° | 109.5° |
| C59 | C61 | H79 | 109.5° | 109.5° |
| C59 | C61 | H80 | 109.5° | 109.4° |
| C32 | C31 | C30 | 124.6° | 120.0° |
| C31 | C32 | H32 | 116.0° | 120.0° |
| C31 | C30 | C34 | 118.4° | 109.5° |
| C31 | C30 | H30 | 107.2° | 109.5° |
| C31 | C30 | H31 | 107.2° | 109.5° |
| C10 | C05 | C13 | 118.9° | 109.4° |
| C10 | C05 | H1 | 107.1° | 109.5° |
| C10 | C05 | H2 | 107.1° | 109.5° |
| C05 | C10 | H10 | 106.6° | 109.5° |
| C05 | C10 | H11 | 106.6° | 109.5° |
| C59 | C58 | C51 | 127.0° | 120.1° |
| C58 | C59 | C60 | 122.7° | 119.9° |
| C59 | C58 | H74 | 116.5° | 120.0° |
| C58 | C51 | C47 | 118.6° | 109.5° |
| C58 | C51 | H66 | 107.1° | 109.5° |
| C58 | C51 | H67 | 107.2° | 109.5° |
| C51 | C58 | H74 | 116.6° | 120.0° |
| C59 | C60 | H75 | 109.5° | 109.5° |
| C59 | C60 | H76 | 109.4° | 109.4° |
| C59 | C60 | H77 | 109.5° | 109.5° |
| C51 | C47 | C45 | 118.2° | 109.5° |
| C51 | C47 | H58 | 107.3° | 109.5° |
| C51 | C47 | H59 | 107.3° | 109.4° |
| C47 | C51 | H66 | 107.1° | 109.5° |
| C47 | C51 | H67 | 107.1° | 109.4° |
| C47 | C45 | C43 | 124.1° | 120.0° |
| C47 | C45 | C53 | 117.0° | 120.0° |
| C45 | C47 | H58 | 107.2° | 109.5° |
| C45 | C47 | H59 | 107.2° | 109.5° |
| C49 | C35 | C29 | 115.7° | 120.0° |
| C49 | C35 | C42 | 118.4° | 120.0° |
| C35 | C49 | H63 | 109.5° | 109.5° |
| C35 | C49 | H64 | 109.5° | 109.5° |
| C35 | C49 | H65 | 109.5° | 109.5° |
| C45 | C43 | C34 | 128.6° | 120.0° |
| C43 | C45 | C53 | 118.9° | 120.0° |
| C45 | C43 | H54 | 115.7° | 120.0° |
| C43 | C34 | C30 | 119.1° | 109.5° |
| C43 | C34 | H34 | 107.0° | 109.5° |
| C43 | C34 | H35 | 107.0° | 109.5° |
| C34 | C43 | H54 | 115.7° | 120.0° |
| C62 | O01 | C55 | 117.9° | 117.0° |
| O01 | C62 | H81 | 109.5° | 109.5° |
| O01 | C62 | H82 | 109.5° | 109.5° |
| O01 | C62 | H83 | 109.5° | 109.5° |
| C37 | C16 | C06 | 117.0° | 120.0° |
| C37 | C16 | C25 | 117.6° | 120.0° |
| C16 | C37 | H39 | 109.5° | 109.5° |
| C16 | C37 | H40 | 109.4° | 109.5° |
| C16 | C37 | H41 | 109.5° | 109.5° |
| C34 | C30 | H30 | 107.2° | 109.5° |
| C34 | C30 | H31 | 107.2° | 109.5° |
| C30 | C34 | H34 | 107.0° | 109.5° |
| C30 | C34 | H35 | 107.0° | 109.5° |
| C45 | C53 | H68 | 109.5° | 109.4° |
| C45 | C53 | H69 | 109.5° | 109.5° |
| C45 | C53 | H70 | 109.5° | 109.5° |
| C09 | C22 | C13 | 127.8° | 120.0° |
| C22 | C09 | C06 | 122.2° | 109.5° |
| C22 | C09 | H8 | 106.2° | 109.5° |
| C22 | C09 | H9 | 106.2° | 109.4° |
| C09 | C22 | H21 | 116.1° | 120.0° |
| C22 | C13 | C05 | 124.7° | 120.0° |
| C22 | C13 | C36 | 118.8° | 120.0° |
| C13 | C22 | H21 | 116.1° | 120.0° |
| C09 | C06 | C16 | 117.6° | 109.5° |
| C09 | C06 | H3 | 107.4° | 109.4° |
| C09 | C06 | H4 | 107.4° | 109.5° |
| C06 | C09 | H8 | 106.2° | 109.5° |
| C06 | C09 | H9 | 106.2° | 109.5° |
| C05 | C13 | C36 | 116.5° | 120.0° |
| C13 | C05 | H1 | 107.0° | 109.5° |
| C13 | C05 | H2 | 107.0° | 109.4° |
| C13 | C36 | H36 | 109.5° | 109.5° |
| C13 | C36 | H37 | 109.5° | 109.4° |
| C13 | C36 | H38 | 109.4° | 109.5° |
| O01 | C55 | C52 | 124.7° | 120.0° |
| O01 | C55 | C56 | 111.8° | 120.1° |
| O02 | C52 | C55 | 119.2° | 120.0° |
| O02 | C52 | C46 | 112.5° | 119.9° |
| C35 | C29 | C28 | 119.0° | 109.5° |
| C29 | C35 | C42 | 125.9° | 120.0° |
| C35 | C29 | H28 | 107.0° | 109.5° |
| C35 | C29 | H29 | 107.1° | 109.5° |
| C29 | C28 | C33 | 120.7° | 109.5° |
| C29 | C28 | H26 | 106.6° | 109.5° |
| C29 | C28 | H27 | 106.6° | 109.5° |
| C28 | C29 | H28 | 107.1° | 109.5° |
| C28 | C29 | H29 | 107.1° | 109.5° |
| C35 | C42 | C41 | 127.1° | 120.0° |
| C35 | C42 | H53 | 116.5° | 120.0° |
| C06 | C16 | C25 | 125.4° | 120.0° |
| C16 | C06 | H3 | 107.4° | 109.5° |
| C16 | C06 | H4 | 107.4° | 109.5° |
| C16 | C25 | C11 | 125.3° | 120.0° |
| C16 | C25 | H23 | 117.3° | 120.0° |
| C55 | C52 | C46 | 128.3° | 120.1° |
| C52 | C55 | C56 | 123.6° | 119.9° |
| C52 | C46 | C41 | 115.9° | 119.9° |
| C52 | C46 | C50 | 111.6° | 120.2° |
| C55 | C56 | N04 | 121.8° | 120.1° |
| C55 | C56 | C54 | 110.0° | 119.8° |
| C39 | C19 | C07 | 117.0° | 120.0° |
| C39 | C19 | C27 | 117.6° | 120.0° |
| C19 | C39 | H45 | 109.5° | 109.5° |
| C19 | C39 | H46 | 109.5° | 109.5° |
| C19 | C39 | H47 | 109.5° | 109.5° |
| C42 | C41 | C46 | 115.8° | 109.5° |
| C42 | C41 | H51 | 107.8° | 109.4° |
| C42 | C41 | H52 | 107.8° | 109.5° |
| C41 | C42 | H53 | 116.5° | 120.0° |
| C41 | C46 | C50 | 132.5° | 119.9° |
| C46 | C41 | H51 | 107.9° | 109.5° |
| C46 | C41 | H52 | 107.8° | 109.5° |
| C28 | C33 | C23 | 127.0° | 120.1° |
| C33 | C28 | H26 | 106.6° | 109.5° |
| C33 | C28 | H27 | 106.6° | 109.5° |
| C28 | C33 | H33 | 116.5° | 120.0° |
| C25 | C11 | C07 | 122.0° | 120.0° |
| C25 | C11 | H12 | 119.0° | 120.0° |
| C11 | C25 | H23 | 117.4° | 120.0° |
| C11 | C07 | C19 | 115.3° | 120.1° |
| C11 | C07 | H5 | 122.3° | 120.0° |
| C07 | C11 | H12 | 119.0° | 120.0° |
| C46 | C50 | C54 | 121.0° | 120.1° |
| C46 | C50 | C57 | 117.1° | 119.9° |
| N04 | C56 | C54 | 128.1° | 120.1° |
| C56 | N04 | H84 | 109.5° | 120.0° |
| C56 | N04 | H85 | 109.4° | 120.0° |
| C56 | C54 | C50 | 125.5° | 120.0° |
| C56 | C54 | O03 | 113.0° | 120.0° |
| C33 | C23 | C14 | 124.1° | 120.0° |
| C33 | C23 | C44 | 118.9° | 119.9° |
| C23 | C33 | H33 | 116.5° | 120.0° |
| C07 | C19 | C27 | 125.4° | 120.0° |
| C19 | C07 | H5 | 122.3° | 120.0° |
| C19 | C27 | C18 | 126.0° | 120.0° |
| C19 | C27 | H25 | 117.0° | 120.0° |
| C14 | C23 | C44 | 117.0° | 120.0° |
| C23 | C14 | C18 | 118.4° | 120.0° |
| C23 | C14 | H15 | 120.8° | 120.0° |
| C23 | C44 | H55 | 109.5° | 109.5° |
| C23 | C44 | H56 | 109.4° | 109.5° |
| C23 | C44 | H57 | 109.4° | 109.5° |
| C27 | C18 | C14 | 119.7° | 120.0° |
| C27 | C18 | H18 | 120.1° | 120.0° |
| C18 | C27 | H25 | 117.0° | 120.0° |
| C18 | C14 | H15 | 120.8° | 120.0° |
| C14 | C18 | H18 | 120.2° | 120.0° |
| C54 | C50 | C57 | 121.9° | 120.0° |
| C50 | C54 | O03 | 121.5° | 120.0° |
| C50 | C57 | H71 | 109.5° | 109.5° |
| C50 | C57 | H72 | 109.5° | 109.4° |
| C50 | C57 | H73 | 109.5° | 109.5° |
| H1 | C05 | H2 | 109.5° | 109.5° |
| H3 | C06 | H4 | 109.5° | 109.5° |
| H6 | C08 | H7 | 109.5° | 109.5° |
| H8 | C09 | H9 | 109.4° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.5° |
| H16 | C15 | H17 | 109.4° | 109.4° |
| H19 | C20 | H20 | 109.5° | 109.5° |
| H26 | C28 | H27 | 109.5° | 109.5° |
| H28 | C29 | H29 | 109.5° | 109.5° |
| H30 | C30 | H31 | 109.5° | 109.5° |
| H34 | C34 | H35 | 109.5° | 109.5° |
| H36 | C36 | H37 | 109.5° | 109.5° |
| H36 | C36 | H38 | 109.5° | 109.5° |
| H37 | C36 | H38 | 109.5° | 109.5° |
| H39 | C37 | H40 | 109.5° | 109.5° |
| H39 | C37 | H41 | 109.4° | 109.4° |
| H40 | C37 | H41 | 109.5° | 109.5° |
| H42 | C38 | H43 | 109.4° | 109.5° |
| H42 | C38 | H44 | 109.5° | 109.4° |
| H43 | C38 | H44 | 109.5° | 109.4° |
| H45 | C39 | H46 | 109.5° | 109.5° |
| H45 | C39 | H47 | 109.5° | 109.4° |
| H46 | C39 | H47 | 109.5° | 109.4° |
| H48 | C40 | H49 | 109.5° | 109.5° |
| H48 | C40 | H50 | 109.5° | 109.5° |
| H49 | C40 | H50 | 109.4° | 109.5° |
| H51 | C41 | H52 | 109.5° | 109.4° |
| H55 | C44 | H56 | 109.5° | 109.4° |
| H55 | C44 | H57 | 109.5° | 109.4° |
| H56 | C44 | H57 | 109.5° | 109.4° |
| H58 | C47 | H59 | 109.5° | 109.4° |
| H60 | C48 | H61 | 109.5° | 109.5° |
| H60 | C48 | H62 | 109.4° | 109.5° |
| H61 | C48 | H62 | 109.5° | 109.5° |
| H63 | C49 | H64 | 109.4° | 109.5° |
| H63 | C49 | H65 | 109.5° | 109.5° |
| H64 | C49 | H65 | 109.5° | 109.4° |
| H66 | C51 | H67 | 109.5° | 109.4° |
| H68 | C53 | H69 | 109.5° | 109.5° |
| H68 | C53 | H70 | 109.4° | 109.5° |
| H69 | C53 | H70 | 109.5° | 109.5° |
| H71 | C57 | H72 | 109.4° | 109.4° |
| H71 | C57 | H73 | 109.5° | 109.5° |
| H72 | C57 | H73 | 109.5° | 109.5° |
| H75 | C60 | H76 | 109.5° | 109.5° |
| H75 | C60 | H77 | 109.4° | 109.5° |
| H76 | C60 | H77 | 109.5° | 109.5° |
| H78 | C61 | H79 | 109.4° | 109.5° |
| H78 | C61 | H80 | 109.5° | 109.5° |
| H79 | C61 | H80 | 109.5° | 109.5° |
| H81 | C62 | H82 | 109.5° | 109.5° |
| H81 | C62 | H83 | 109.5° | 109.4° |
| H82 | C62 | H83 | 109.5° | 109.4° |
| H84 | N04 | H85 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C08 | C17 | H6 | 121.5° | 120.0° |
| C12 | C08 | C17 | H7 | 121.5° | 120.0° |
| C08 | C12 | C26 | H13 | 121.7° | 120.1° |
| C08 | C12 | C26 | H14 | 121.7° | 120.0° |
| C08 | C12 | C26 | C21 | 171.8° | 124.0° |
| C12 | C08 | C17 | C38 | 75.8° | 85.0° |
| C12 | C08 | C17 | C24 | 104.7° | 95.0° |
| C12 | C08 | H6 | H7 | 115.2° | 120.0° |
| C08 | C12 | H13 | H14 | 114.5° | 120.0° |
| C08 | C12 | C26 | H24 | 8.2° | 55.9° |
| C17 | C08 | C12 | C26 | 39.8° | 180.0° |
| C08 | C17 | C38 | C24 | 179.5° | 179.9° |
| C08 | C17 | C24 | C10 | 179.8° | 173.6° |
| C17 | C08 | H6 | H7 | 115.2° | 120.0° |
| C17 | C08 | C12 | H13 | 161.5° | 60.0° |
| C17 | C08 | C12 | H14 | 81.8° | 60.0° |
| C08 | C17 | C24 | H22 | 0.2° | 6.4° |
| C08 | C17 | C38 | H42 | 180.0° | 95.2° |
| C08 | C17 | C38 | H43 | 60.0° | 144.8° |
| C08 | C17 | C38 | H44 | 60.0° | 24.8° |
| C12 | C26 | C21 | H24 | 180.0° | 179.9° |
| C12 | C26 | C21 | C40 | 0.2° | 6.4° |
| C12 | C26 | C21 | C15 | 179.7° | 173.6° |
| C26 | C12 | C08 | H6 | 161.3° | 60.1° |
| C26 | C12 | C08 | H7 | 81.7° | 59.9° |
| C26 | C12 | H13 | H14 | 114.6° | 120.0° |
| C26 | C21 | C40 | C15 | 179.9° | 179.9° |
| C26 | C21 | C15 | C20 | 176.8° | 95.0° |
| C21 | C26 | C12 | H13 | 66.5° | 3.9° |
| C21 | C26 | C12 | H14 | 50.2° | 116.0° |
| C26 | C21 | C15 | H16 | 55.4° | 25.0° |
| C26 | C21 | C15 | H17 | 61.8° | 144.9° |
| C26 | C21 | C40 | H48 | 180.0° | 84.8° |
| C26 | C21 | C40 | H49 | 60.0° | 35.2° |
| C26 | C21 | C40 | H50 | 60.0° | 155.2° |
| C38 | C17 | C24 | C10 | 0.3° | 6.3° |
| C38 | C17 | C08 | H6 | 162.7° | 155.0° |
| C38 | C17 | C08 | H7 | 45.7° | 35.1° |
| C38 | C17 | C24 | H22 | 179.7° | 173.7° |
| C17 | C38 | H42 | H43 | 120.0° | 120.0° |
| C17 | C38 | H42 | H44 | 120.0° | 120.0° |
| C17 | C38 | H43 | H44 | 120.0° | 120.0° |
| C40 | C21 | C15 | C20 | 3.2° | 85.0° |
| C40 | C21 | C15 | H16 | 124.7° | 155.0° |
| C40 | C21 | C15 | H17 | 118.1° | 35.0° |
| C40 | C21 | C26 | H24 | 179.8° | 173.6° |
| C21 | C40 | H48 | H49 | 120.0° | 119.9° |
| C21 | C40 | H48 | H50 | 120.0° | 120.0° |
| C21 | C40 | H49 | H50 | 120.0° | 120.0° |
| C21 | C15 | C20 | H16 | 121.4° | 120.0° |
| C21 | C15 | C20 | H17 | 121.4° | 120.0° |
| C21 | C15 | C20 | C32 | 147.2° | 180.0° |
| C21 | C15 | H16 | H17 | 115.5° | 120.0° |
| C21 | C15 | C20 | H19 | 91.2° | 60.0° |
| C21 | C15 | C20 | H20 | 25.7° | 60.0° |
| C15 | C21 | C26 | H24 | 0.2° | 6.3° |
| C15 | C21 | C40 | H48 | 0.0° | 95.3° |
| C15 | C21 | C40 | H49 | 120.0° | 144.7° |
| C15 | C21 | C40 | H50 | 120.1° | 24.7° |
| C17 | C24 | C10 | H22 | 180.0° | 180.0° |
| C17 | C24 | C10 | C05 | 75.1° | 124.0° |
| C24 | C17 | C08 | H6 | 16.8° | 25.0° |
| C24 | C17 | C08 | H7 | 133.8° | 145.0° |
| C17 | C24 | C10 | H10 | 163.4° | 4.1° |
| C17 | C24 | C10 | H11 | 46.5° | 115.9° |
| C24 | C17 | C38 | H42 | 0.5° | 84.8° |
| C24 | C17 | C38 | H43 | 119.5° | 35.3° |
| C24 | C17 | C38 | H44 | 120.5° | 155.3° |
| C15 | C20 | C32 | H19 | 121.5° | 120.1° |
| C15 | C20 | C32 | H20 | 121.5° | 119.9° |
| C15 | C20 | C32 | C31 | 167.1° | 126.6° |
| C20 | C15 | H16 | H17 | 115.6° | 120.0° |
| C15 | C20 | H19 | H20 | 115.1° | 120.0° |
| C15 | C20 | C32 | H32 | 12.9° | 53.3° |
| C20 | C32 | C31 | C48 | 0.2° | 5.6° |
| C20 | C32 | C31 | H32 | 180.0° | 179.9° |
| C20 | C32 | C31 | C30 | 180.0° | 174.5° |
| C32 | C20 | C15 | H16 | 25.8° | 60.0° |
| C32 | C20 | C15 | H17 | 91.4° | 60.0° |
| C32 | C20 | H19 | H20 | 115.1° | 120.0° |
| C24 | C10 | C05 | H10 | 121.6° | 119.9° |
| C24 | C10 | C05 | H11 | 121.6° | 120.0° |
| C24 | C10 | C05 | C13 | 122.2° | 180.0° |
| C24 | C10 | C05 | H1 | 0.9° | 60.0° |
| C24 | C10 | C05 | H2 | 116.4° | 60.1° |
| C24 | C10 | H10 | H11 | 114.9° | 120.0° |
| C48 | C31 | C32 | C30 | 179.8° | 179.9° |
| C48 | C31 | C30 | C34 | 9.1° | 85.1° |
| C48 | C31 | C30 | H30 | 112.1° | 35.0° |
| C48 | C31 | C30 | H31 | 130.4° | 155.0° |
| C48 | C31 | C32 | H32 | 179.8° | 174.5° |
| C31 | C48 | H60 | H61 | 120.0° | 120.0° |
| C31 | C48 | H60 | H62 | 120.0° | 120.0° |
| C31 | C48 | H61 | H62 | 120.0° | 120.0° |
| C61 | C59 | C58 | C60 | 179.8° | 179.9° |
| C61 | C59 | C58 | C51 | 179.9° | 172.2° |
| C61 | C59 | C58 | H74 | 0.1° | 7.7° |
| C61 | C59 | C60 | H75 | 180.0° | 178.5° |
| C61 | C59 | C60 | H76 | 60.0° | 58.6° |
| C61 | C59 | C60 | H77 | 60.0° | 61.5° |
| C59 | C61 | H78 | H79 | 120.0° | 120.0° |
| C59 | C61 | H78 | H80 | 120.0° | 120.0° |
| C59 | C61 | H79 | H80 | 120.0° | 120.0° |
| C32 | C31 | C30 | C34 | 171.0° | 95.0° |
| C31 | C32 | C20 | H19 | 45.6° | 6.5° |
| C31 | C32 | C20 | H20 | 71.4° | 113.5° |
| C32 | C31 | C30 | H30 | 67.7° | 144.9° |
| C32 | C31 | C30 | H31 | 49.8° | 24.9° |
| C32 | C31 | C48 | H60 | 180.0° | 83.7° |
| C32 | C31 | C48 | H61 | 60.0° | 36.2° |
| C32 | C31 | C48 | H62 | 60.0° | 156.2° |
| C31 | C30 | C34 | C43 | 113.2° | 180.0° |
| C31 | C30 | C34 | H30 | 121.3° | 120.1° |
| C31 | C30 | C34 | H31 | 121.3° | 120.0° |
| C31 | C30 | H30 | H31 | 116.0° | 120.0° |
| C30 | C31 | C32 | H32 | 0.0° | 5.4° |
| C31 | C30 | C34 | H34 | 125.4° | 60.0° |
| C31 | C30 | C34 | H35 | 8.1° | 60.0° |
| C30 | C31 | C48 | H60 | 0.1° | 96.4° |
| C30 | C31 | C48 | H61 | 120.1° | 143.7° |
| C30 | C31 | C48 | H62 | 119.8° | 23.7° |
| C10 | C05 | C13 | C22 | 114.9° | 95.0° |
| C10 | C05 | C13 | H1 | 121.3° | 120.0° |
| C10 | C05 | C13 | H2 | 121.3° | 120.0° |
| C10 | C05 | C13 | C36 | 65.2° | 85.0° |
| C10 | C05 | H1 | H2 | 115.7° | 120.0° |
| C05 | C10 | H10 | H11 | 114.9° | 120.1° |
| C05 | C10 | C24 | H22 | 104.9° | 56.0° |
| C59 | C58 | C51 | H74 | 180.0° | 180.0° |
| C59 | C58 | C51 | C47 | 169.9° | 115.6° |
| C59 | C58 | C51 | H66 | 48.6° | 4.5° |
| C59 | C58 | C51 | H67 | 68.9° | 124.4° |
| C58 | C59 | C60 | H75 | 0.2° | 1.5° |
| C58 | C59 | C60 | H76 | 120.2° | 121.5° |
| C58 | C59 | C60 | H77 | 119.8° | 118.5° |
| C58 | C59 | C61 | H78 | 180.0° | 89.9° |
| C58 | C59 | C61 | H79 | 60.0° | 150.0° |
| C58 | C59 | C61 | H80 | 60.0° | 30.1° |
| C51 | C58 | C59 | C60 | 0.2° | 7.8° |
| C58 | C51 | C47 | H66 | 121.3° | 120.0° |
| C58 | C51 | C47 | H67 | 121.3° | 120.0° |
| C58 | C51 | C47 | C45 | 84.8° | 180.0° |
| C58 | C51 | C47 | H58 | 153.9° | 60.0° |
| C58 | C51 | C47 | H59 | 36.4° | 60.0° |
| C58 | C51 | H66 | H67 | 115.9° | 120.0° |
| C60 | C59 | C58 | H74 | 179.8° | 172.2° |
| C59 | C60 | H75 | H76 | 120.0° | 120.0° |
| C59 | C60 | H75 | H77 | 120.0° | 120.0° |
| C59 | C60 | H76 | H77 | 120.0° | 120.0° |
| C60 | C59 | C61 | H78 | 0.2° | 90.0° |
| C60 | C59 | C61 | H79 | 120.2° | 30.0° |
| C60 | C59 | C61 | H80 | 119.8° | 150.0° |
| C51 | C47 | C45 | H58 | 121.3° | 120.1° |
| C51 | C47 | C45 | H59 | 121.2° | 120.0° |
| C51 | C47 | C45 | C43 | 70.3° | 95.0° |
| C51 | C47 | C45 | C53 | 109.8° | 85.0° |
| C51 | C47 | H58 | H59 | 116.1° | 119.9° |
| C47 | C51 | H66 | H67 | 115.9° | 119.9° |
| C47 | C51 | C58 | H74 | 10.1° | 64.5° |
| C47 | C45 | C43 | C53 | 179.9° | 179.9° |
| C47 | C45 | C43 | C34 | 180.0° | 178.2° |
| C47 | C45 | C43 | H54 | 0.0° | 1.8° |
| C45 | C47 | H58 | H59 | 116.0° | 120.0° |
| C45 | C47 | C51 | H66 | 36.5° | 60.0° |
| C45 | C47 | C51 | H67 | 153.9° | 60.0° |
| C47 | C45 | C53 | H68 | 180.0° | 92.9° |
| C47 | C45 | C53 | H69 | 60.0° | 27.1° |
| C47 | C45 | C53 | H70 | 60.0° | 147.1° |
| C49 | C35 | C29 | C42 | 179.9° | 180.0° |
| C49 | C35 | C29 | C28 | 140.9° | 85.0° |
| C49 | C35 | C42 | C41 | 0.6° | 6.1° |
| C49 | C35 | C29 | H28 | 97.7° | 155.0° |
| C49 | C35 | C29 | H29 | 19.5° | 35.0° |
| C49 | C35 | C42 | H53 | 179.4° | 174.0° |
| C35 | C49 | H63 | H64 | 120.0° | 120.0° |
| C35 | C49 | H63 | H65 | 120.0° | 120.0° |
| C35 | C49 | H64 | H65 | 120.0° | 120.0° |
| C45 | C43 | C34 | H54 | 180.0° | 180.0° |
| C45 | C43 | C34 | C30 | 154.7° | 119.8° |
| C45 | C43 | C34 | H34 | 33.3° | 0.2° |
| C45 | C43 | C34 | H35 | 84.0° | 120.2° |
| C43 | C45 | C47 | H58 | 168.5° | 145.0° |
| C43 | C45 | C47 | H59 | 50.9° | 25.0° |
| C43 | C45 | C53 | H68 | 0.1° | 87.2° |
| C43 | C45 | C53 | H69 | 120.1° | 152.9° |
| C43 | C45 | C53 | H70 | 119.9° | 32.8° |
| C43 | C34 | C30 | H34 | 121.4° | 120.0° |
| C43 | C34 | C30 | H35 | 121.4° | 120.0° |
| C34 | C43 | C45 | C53 | 0.1° | 1.9° |
| C43 | C34 | C30 | H30 | 125.5° | 59.9° |
| C43 | C34 | C30 | H31 | 8.0° | 60.0° |
| C43 | C34 | H34 | H35 | 115.7° | 120.0° |
| C62 | O01 | C55 | C52 | 90.3° | 67.4° |
| C62 | O01 | C55 | C56 | 90.8° | 112.5° |
| O01 | C62 | H81 | H82 | 120.0° | 120.1° |
| O01 | C62 | H81 | H83 | 120.0° | 120.0° |
| O01 | C62 | H82 | H83 | 120.0° | 120.0° |
| C37 | C16 | C06 | C09 | 10.6° | 85.0° |
| C37 | C16 | C06 | C25 | 179.6° | 180.0° |
| C37 | C16 | C25 | C11 | 0.7° | 0.0° |
| C37 | C16 | C06 | H3 | 131.8° | 155.0° |
| C37 | C16 | C06 | H4 | 110.5° | 35.0° |
| C37 | C16 | C25 | H23 | 179.4° | 180.0° |
| C16 | C37 | H39 | H40 | 120.0° | 120.0° |
| C16 | C37 | H39 | H41 | 120.0° | 120.0° |
| C16 | C37 | H40 | H41 | 120.0° | 120.1° |
| C34 | C30 | H30 | H31 | 115.9° | 120.0° |
| C30 | C34 | H34 | H35 | 115.6° | 120.0° |
| C30 | C34 | C43 | H54 | 25.3° | 60.2° |
| C53 | C45 | C43 | H54 | 179.9° | 178.1° |
| C53 | C45 | C47 | H58 | 11.4° | 35.1° |
| C53 | C45 | C47 | H59 | 128.9° | 155.0° |
| C45 | C53 | H68 | H69 | 120.0° | 119.9° |
| C45 | C53 | H68 | H70 | 120.0° | 120.0° |
| C45 | C53 | H69 | H70 | 120.0° | 120.0° |
| C09 | C22 | C13 | H21 | 180.0° | 179.9° |
| C22 | C09 | C06 | H8 | 121.8° | 120.0° |
| C22 | C09 | C06 | H9 | 121.8° | 120.0° |
| C09 | C22 | C13 | C05 | 179.3° | 175.3° |
| C09 | C22 | C13 | C36 | 0.8° | 4.7° |
| C22 | C09 | C06 | C16 | 149.2° | 180.0° |
| C22 | C09 | C06 | H3 | 89.6° | 60.0° |
| C22 | C09 | C06 | H4 | 28.0° | 60.0° |
| C22 | C09 | H8 | H9 | 114.3° | 120.0° |
| C13 | C22 | C09 | C06 | 71.3° | 125.7° |
| C22 | C13 | C05 | C36 | 180.0° | 180.0° |
| C22 | C13 | C05 | H1 | 6.5° | 25.0° |
| C22 | C13 | C05 | H2 | 123.8° | 145.0° |
| C13 | C22 | C09 | H8 | 50.5° | 5.7° |
| C13 | C22 | C09 | H9 | 166.9° | 114.3° |
| C22 | C13 | C36 | H36 | 180.0° | 87.3° |
| C22 | C13 | C36 | H37 | 60.0° | 32.7° |
| C22 | C13 | C36 | H38 | 60.0° | 152.7° |
| C09 | C06 | C16 | H3 | 121.2° | 120.0° |
| C09 | C06 | C16 | H4 | 121.1° | 120.0° |
| C09 | C06 | C16 | C25 | 169.0° | 95.0° |
| C09 | C06 | H3 | H4 | 116.3° | 120.0° |
| C06 | C09 | H8 | H9 | 114.2° | 120.0° |
| C06 | C09 | C22 | H21 | 108.7° | 54.4° |
| C13 | C05 | H1 | H2 | 115.7° | 120.0° |
| C13 | C05 | C10 | H10 | 116.2° | 60.1° |
| C13 | C05 | C10 | H11 | 0.6° | 60.0° |
| C05 | C13 | C22 | H21 | 0.7° | 4.7° |
| C05 | C13 | C36 | H36 | 0.0° | 92.7° |
| C05 | C13 | C36 | H37 | 120.0° | 147.3° |
| C05 | C13 | C36 | H38 | 120.0° | 27.3° |
| C36 | C13 | C05 | H1 | 173.5° | 155.0° |
| C36 | C13 | C05 | H2 | 56.2° | 35.0° |
| C36 | C13 | C22 | H21 | 179.2° | 175.3° |
| C13 | C36 | H36 | H37 | 120.0° | 120.0° |
| C13 | C36 | H36 | H38 | 120.0° | 120.0° |
| C13 | C36 | H37 | H38 | 120.0° | 119.9° |
| O01 | C55 | C52 | O02 | 1.0° | 0.0° |
| O01 | C55 | C52 | C56 | 178.8° | 179.9° |
| O01 | C55 | C52 | C46 | 179.5° | 179.9° |
| O01 | C55 | C56 | N04 | 0.8° | 0.1° |
| O01 | C55 | C56 | C54 | 179.3° | 179.7° |
| C55 | O01 | C62 | H81 | 180.0° | 64.7° |
| C55 | O01 | C62 | H82 | 60.0° | 55.4° |
| C55 | O01 | C62 | H83 | 60.0° | 175.4° |
| O02 | C52 | C55 | C46 | 179.6° | 180.0° |
| O02 | C52 | C55 | C56 | 179.7° | 180.0° |
| O02 | C52 | C46 | C41 | 0.6° | 0.1° |
| O02 | C52 | C46 | C50 | 179.9° | 179.7° |
| C35 | C29 | C28 | H28 | 121.3° | 120.0° |
| C35 | C29 | C28 | H29 | 121.4° | 120.0° |
| C29 | C35 | C42 | C41 | 179.4° | 173.9° |
| C35 | C29 | C28 | C33 | 54.5° | 180.0° |
| C35 | C29 | C28 | H26 | 67.1° | 60.0° |
| C35 | C29 | C28 | H27 | 176.1° | 60.0° |
| C35 | C29 | H28 | H29 | 115.7° | 120.0° |
| C29 | C35 | C42 | H53 | 0.6° | 6.0° |
| C29 | C35 | C49 | H63 | 180.0° | 95.1° |
| C29 | C35 | C49 | H64 | 60.0° | 144.9° |
| C29 | C35 | C49 | H65 | 60.0° | 24.9° |
| C28 | C29 | C35 | C42 | 39.1° | 95.0° |
| C29 | C28 | C33 | H26 | 121.6° | 120.0° |
| C29 | C28 | C33 | H27 | 121.6° | 120.0° |
| C29 | C28 | C33 | C23 | 164.5° | 124.9° |
| C29 | C28 | H26 | H27 | 115.0° | 120.0° |
| C28 | C29 | H28 | H29 | 115.7° | 120.0° |
| C29 | C28 | C33 | H33 | 15.5° | 55.2° |
| C35 | C42 | C41 | H53 | 180.0° | 179.9° |
| C35 | C42 | C41 | C46 | 117.0° | 124.7° |
| C42 | C35 | C29 | H28 | 82.2° | 25.0° |
| C42 | C35 | C29 | H29 | 160.5° | 145.0° |
| C35 | C42 | C41 | H51 | 122.1° | 115.3° |
| C35 | C42 | C41 | H52 | 3.9° | 4.6° |
| C42 | C35 | C49 | H63 | 0.1° | 84.9° |
| C42 | C35 | C49 | H64 | 120.1° | 35.1° |
| C42 | C35 | C49 | H65 | 119.9° | 155.1° |
| C06 | C16 | C25 | C11 | 179.7° | 180.0° |
| C16 | C06 | H3 | H4 | 116.3° | 120.1° |
| C16 | C06 | C09 | H8 | 27.4° | 60.0° |
| C16 | C06 | C09 | H9 | 89.0° | 60.0° |
| C06 | C16 | C25 | H23 | 0.3° | 0.0° |
| C06 | C16 | C37 | H39 | 180.0° | 90.0° |
| C06 | C16 | C37 | H40 | 60.0° | 150.0° |
| C06 | C16 | C37 | H41 | 60.0° | 29.9° |
| C16 | C25 | C11 | H23 | 180.0° | 180.0° |
| C16 | C25 | C11 | C07 | 142.8° | 180.0° |
| C25 | C16 | C06 | H3 | 47.9° | 25.0° |
| C25 | C16 | C06 | H4 | 69.8° | 145.0° |
| C16 | C25 | C11 | H12 | 37.2° | 0.0° |
| C25 | C16 | C37 | H39 | 0.3° | 90.0° |
| C25 | C16 | C37 | H40 | 120.3° | 30.0° |
| C25 | C16 | C37 | H41 | 119.7° | 150.1° |
| C55 | C52 | C46 | C41 | 179.8° | 179.9° |
| C55 | C52 | C46 | C50 | 0.5° | 0.3° |
| C52 | C55 | C56 | N04 | 179.7° | 180.0° |
| C52 | C55 | C56 | C54 | 0.4° | 0.2° |
| C46 | C52 | C55 | C56 | 0.7° | 0.0° |
| C52 | C46 | C41 | C42 | 101.9° | 85.3° |
| C52 | C46 | C41 | C50 | 179.1° | 179.8° |
| C52 | C46 | C50 | C54 | 0.1° | 0.2° |
| C52 | C46 | C50 | C57 | 179.9° | 179.8° |
| C52 | C46 | C41 | H51 | 137.1° | 154.7° |
| C52 | C46 | C41 | H52 | 19.0° | 34.8° |
| C55 | C56 | N04 | C54 | 179.9° | 179.8° |
| C55 | C56 | C54 | C50 | 0.0° | 0.2° |
| C55 | C56 | C54 | O03 | 179.6° | 179.8° |
| C55 | C56 | N04 | H84 | 180.0° | 5.2° |
| C55 | C56 | N04 | H85 | 60.0° | 174.8° |
| C39 | C19 | C07 | C11 | 27.2° | 0.0° |
| C39 | C19 | C07 | C27 | 179.5° | 179.9° |
| C39 | C19 | C27 | C18 | 0.0° | 0.1° |
| C39 | C19 | C07 | H5 | 152.8° | 180.0° |
| C39 | C19 | C27 | H25 | 180.0° | 180.0° |
| C19 | C39 | H45 | H46 | 120.0° | 120.0° |
| C19 | C39 | H45 | H47 | 120.0° | 120.0° |
| C19 | C39 | H46 | H47 | 120.0° | 120.0° |
| C42 | C41 | C46 | H51 | 120.9° | 120.0° |
| C42 | C41 | C46 | H52 | 120.9° | 120.1° |
| C42 | C41 | C46 | C50 | 77.2° | 94.9° |
| C42 | C41 | H51 | H52 | 117.1° | 120.0° |
| C41 | C46 | C50 | C54 | 179.3° | 180.0° |
| C41 | C46 | C50 | C57 | 0.7° | 0.0° |
| C46 | C41 | H51 | H52 | 117.1° | 120.0° |
| C46 | C41 | C42 | H53 | 63.0° | 55.3° |
| C28 | C33 | C23 | H33 | 180.0° | 180.0° |
| C28 | C33 | C23 | C14 | 179.8° | 179.7° |
| C28 | C33 | C23 | C44 | 0.1° | 0.3° |
| C33 | C28 | H26 | H27 | 114.9° | 120.0° |
| C33 | C28 | C29 | H28 | 175.8° | 60.0° |
| C33 | C28 | C29 | H29 | 66.9° | 60.0° |
| C25 | C11 | C07 | H12 | 180.0° | 180.0° |
| C25 | C11 | C07 | C19 | 175.5° | 180.0° |
| C25 | C11 | C07 | H5 | 4.5° | 0.0° |
| C11 | C07 | C19 | H5 | 180.0° | 180.0° |
| C11 | C07 | C19 | C27 | 152.3° | 180.0° |
| C07 | C11 | C25 | H23 | 37.3° | 0.0° |
| C46 | C50 | C54 | C56 | 0.1° | 0.0° |
| C46 | C50 | C54 | C57 | 180.0° | 180.0° |
| C46 | C50 | C54 | O03 | 179.7° | 180.0° |
| C50 | C46 | C41 | H51 | 43.7° | 25.1° |
| C50 | C46 | C41 | H52 | 161.9° | 145.0° |
| C46 | C50 | C57 | H71 | 180.0° | 90.0° |
| C46 | C50 | C57 | H72 | 60.0° | 150.1° |
| C46 | C50 | C57 | H73 | 60.0° | 30.0° |
| N04 | C56 | C54 | C50 | 180.0° | 180.0° |
| N04 | C56 | C54 | O03 | 0.4° | 0.0° |
| C56 | N04 | H84 | H85 | 120.0° | 180.0° |
| C56 | C54 | C50 | O03 | 179.6° | 180.0° |
| C56 | C54 | C50 | C57 | 179.9° | 180.0° |
| C54 | C56 | N04 | H84 | 0.1° | 174.5° |
| C54 | C56 | N04 | H85 | 119.9° | 5.4° |
| C33 | C23 | C14 | C44 | 179.6° | 180.0° |
| C33 | C23 | C14 | C18 | 116.7° | 180.0° |
| C33 | C23 | C14 | H15 | 63.3° | 0.0° |
| C23 | C33 | C28 | H26 | 73.9° | 4.9° |
| C23 | C33 | C28 | H27 | 42.9° | 115.1° |
| C33 | C23 | C44 | H55 | 180.0° | 84.8° |
| C33 | C23 | C44 | H56 | 60.0° | 35.3° |
| C33 | C23 | C44 | H57 | 60.0° | 155.3° |
| C07 | C19 | C27 | C18 | 179.6° | 180.0° |
| C19 | C07 | C11 | H12 | 4.5° | 0.0° |
| C07 | C19 | C27 | H25 | 0.5° | 0.1° |
| C07 | C19 | C39 | H45 | 180.0° | 90.0° |
| C07 | C19 | C39 | H46 | 60.0° | 150.0° |
| C07 | C19 | C39 | H47 | 60.0° | 30.0° |
| C19 | C27 | C18 | H25 | 180.0° | 179.9° |
| C19 | C27 | C18 | C14 | 79.5° | 180.0° |
| C27 | C19 | C07 | H5 | 27.7° | 0.1° |
| C19 | C27 | C18 | H18 | 100.5° | 0.1° |
| C27 | C19 | C39 | H45 | 0.4° | 90.1° |
| C27 | C19 | C39 | H46 | 119.6° | 30.0° |
| C27 | C19 | C39 | H47 | 120.4° | 150.0° |
| C23 | C14 | C18 | C27 | 164.5° | 180.0° |
| C23 | C14 | C18 | H15 | 180.0° | 180.0° |
| C23 | C14 | C18 | H18 | 15.5° | 0.0° |
| C14 | C23 | C33 | H33 | 0.2° | 0.3° |
| C14 | C23 | C44 | H55 | 0.4° | 95.3° |
| C14 | C23 | C44 | H56 | 120.3° | 144.7° |
| C14 | C23 | C44 | H57 | 119.7° | 24.7° |
| C44 | C23 | C14 | C18 | 63.0° | 0.0° |
| C44 | C23 | C14 | H15 | 117.1° | 180.0° |
| C44 | C23 | C33 | H33 | 179.9° | 179.8° |
| C23 | C44 | H55 | H56 | 120.0° | 120.1° |
| C23 | C44 | H55 | H57 | 120.0° | 120.0° |
| C23 | C44 | H56 | H57 | 120.0° | 120.0° |
| C27 | C18 | C14 | H18 | 180.0° | 180.0° |
| C27 | C18 | C14 | H15 | 15.5° | 0.0° |
| C14 | C18 | C27 | H25 | 100.5° | 0.0° |
| C54 | C50 | C57 | H71 | 0.0° | 90.0° |
| C54 | C50 | C57 | H72 | 120.0° | 29.9° |
| C54 | C50 | C57 | H73 | 120.0° | 150.0° |
| C57 | C50 | C54 | O03 | 0.3° | 0.0° |
| C50 | C57 | H71 | H72 | 120.0° | 119.9° |
| C50 | C57 | H71 | H73 | 120.0° | 120.0° |
| C50 | C57 | H72 | H73 | 120.0° | 120.0° |
| H1 | C05 | C10 | H10 | 122.5° | 59.9° |
| H1 | C05 | C10 | H11 | 120.7° | 180.0° |
| H2 | C05 | C10 | H10 | 5.1° | 180.0° |
| H2 | C05 | C10 | H11 | 121.9° | 59.9° |
| H3 | C06 | C09 | H8 | 148.6° | 60.0° |
| H3 | C06 | C09 | H9 | 32.1° | 180.0° |
| H4 | C06 | C09 | H8 | 93.7° | 180.0° |
| H4 | C06 | C09 | H9 | 149.8° | 60.0° |
| H5 | C07 | C11 | H12 | 175.5° | 180.0° |
| H6 | C08 | C12 | H13 | 77.0° | 60.0° |
| H6 | C08 | C12 | H14 | 39.6° | 180.0° |
| H7 | C08 | C12 | H13 | 40.0° | 180.0° |
| H7 | C08 | C12 | H14 | 156.7° | 60.0° |
| H8 | C09 | C22 | H21 | 129.5° | 174.4° |
| H9 | C09 | C22 | H21 | 13.1° | 65.6° |
| H10 | C10 | C24 | H22 | 16.6° | 175.9° |
| H11 | C10 | C24 | H22 | 133.5° | 64.1° |
| H12 | C11 | C25 | H23 | 142.7° | 180.0° |
| H13 | C12 | C26 | H24 | 113.5° | 176.0° |
| H14 | C12 | C26 | H24 | 129.9° | 64.0° |
| H15 | C14 | C18 | H18 | 164.5° | 180.0° |
| H16 | C15 | C20 | H19 | 147.4° | 60.0° |
| H16 | C15 | C20 | H20 | 95.7° | 180.0° |
| H17 | C15 | C20 | H19 | 30.1° | 180.0° |
| H17 | C15 | C20 | H20 | 147.1° | 60.0° |
| H18 | C18 | C27 | H25 | 79.5° | NaN° |
| H19 | C20 | C32 | H32 | 134.4° | 173.4° |
| H20 | C20 | C32 | H32 | 108.6° | 66.6° |
| H26 | C28 | C29 | H28 | 54.3° | 60.0° |
| H26 | C28 | C29 | H29 | 171.6° | 180.0° |
| H26 | C28 | C33 | H33 | 106.1° | 175.1° |
| H27 | C28 | C29 | H28 | 62.6° | 180.0° |
| H27 | C28 | C29 | H29 | 54.7° | 60.0° |
| H27 | C28 | C33 | H33 | 137.1° | 64.9° |
| H30 | C30 | C34 | H34 | 4.1° | 180.0° |
| H30 | C30 | C34 | H35 | 113.1° | 60.0° |
| H31 | C30 | C34 | H34 | 113.3° | 60.0° |
| H31 | C30 | C34 | H35 | 129.4° | NaN° |
| H34 | C34 | C43 | H54 | 146.7° | 179.8° |
| H35 | C34 | C43 | H54 | 96.1° | 59.8° |
| H36 | C36 | H37 | H38 | 120.0° | 120.0° |
| H39 | C37 | H40 | H41 | 120.0° | 119.9° |
| H42 | C38 | H43 | H44 | 120.0° | 120.0° |
| H45 | C39 | H46 | H47 | 120.0° | 120.0° |
| H48 | C40 | H49 | H50 | 120.0° | 120.1° |
| H51 | C41 | C42 | H53 | 58.0° | 64.7° |
| H52 | C41 | C42 | H53 | 176.1° | 175.3° |
| H55 | C44 | H56 | H57 | 120.0° | 119.9° |
| H58 | C47 | C51 | H66 | 84.8° | 180.0° |
| H58 | C47 | C51 | H67 | 32.6° | 60.1° |
| H59 | C47 | C51 | H66 | 157.7° | 60.0° |
| H59 | C47 | C51 | H67 | 84.9° | 180.0° |
| H60 | C48 | H61 | H62 | 120.0° | 120.1° |
| H63 | C49 | H64 | H65 | 120.0° | 120.0° |
| H66 | C51 | C58 | H74 | 131.4° | 175.5° |
| H67 | C51 | C58 | H74 | 111.2° | 55.5° |
| H68 | C53 | H69 | H70 | 119.9° | 120.1° |
| H71 | C57 | H72 | H73 | 120.0° | 120.0° |
| H75 | C60 | H76 | H77 | 120.0° | 120.0° |
| H78 | C61 | H79 | H80 | 120.0° | 120.0° |
| H81 | C62 | H82 | H83 | 120.0° | 120.0° |
