RLZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N57 | N56 | doub | 1.29Å | 1.28Å | |
| N57 | C58 | sing | 1.37Å | 1.41Å | |
| N56 | C51 | sing | 1.36Å | 1.43Å | |
| C52 | C51 | doub | 1.40Å | 1.40Å | Aromatic |
| C52 | C53 | sing | 1.38Å | 1.40Å | Aromatic |
| C59 | C58 | doub | 1.40Å | 1.40Å | Aromatic |
| C59 | C60 | sing | 1.38Å | 1.40Å | Aromatic |
| C58 | C63 | sing | 1.40Å | 1.40Å | Aromatic |
| C67 | O66 | sing | 1.43Å | 1.44Å | |
| C51 | C50 | sing | 1.41Å | 1.41Å | Aromatic |
| C53 | C54 | doub | 1.39Å | 1.40Å | Aromatic |
| O66 | C60 | sing | 1.36Å | 1.38Å | |
| C60 | C61 | doub | 1.39Å | 1.42Å | Aromatic |
| C63 | C62 | doub | 1.38Å | 1.41Å | Aromatic |
| C50 | N49 | sing | 1.40Å | 1.42Å | |
| C50 | C55 | doub | 1.38Å | 1.41Å | Aromatic |
| C61 | C62 | sing | 1.39Å | 1.41Å | Aromatic |
| C61 | O64 | sing | 1.36Å | 1.38Å | |
| C62 | O68 | sing | 1.36Å | 1.38Å | |
| C54 | C55 | sing | 1.39Å | 1.40Å | Aromatic |
| C54 | O77 | sing | 1.36Å | 1.37Å | |
| N49 | C48 | sing | 1.35Å | 1.37Å | |
| C65 | O64 | sing | 1.43Å | 1.42Å | |
| C78 | O77 | sing | 1.43Å | 1.44Å | |
| O68 | C69 | sing | 1.43Å | 1.43Å | |
| C47 | C48 | sing | 1.51Å | 1.53Å | |
| C47 | C46 | sing | 1.53Å | 1.57Å | |
| C48 | O70 | doub | 1.21Å | 1.21Å | |
| C46 | C45 | sing | 1.51Å | 1.53Å | |
| O33 | C32 | doub | 1.21Å | 1.21Å | |
| C34 | N29 | sing | 1.47Å | 1.47Å | |
| O13 | C11 | doub | 1.21Å | 1.22Å | |
| C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C31 | sing | 1.51Å | 1.54Å | |
| C32 | N8 | sing | 1.36Å | 1.37Å | |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| C11 | O12 | sing | 1.34Å | 1.36Å | |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C45 | N72 | sing | 1.35Å | 1.37Å | |
| C45 | O71 | doub | 1.21Å | 1.22Å | |
| C9 | C1 | sing | 1.51Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | N8 | sing | 1.48Å | 1.46Å | |
| C14 | C16 | sing | 1.52Å | 1.53Å | |
| C14 | O12 | sing | 1.45Å | 1.44Å | |
| C14 | C15 | sing | 1.52Å | 1.53Å | |
| N29 | C31 | sing | 1.49Å | 1.50Å | |
| N29 | C28 | sing | 1.37Å | 1.39Å | |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | C31 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.51Å | 1.49Å | |
| N72 | C73 | sing | 1.46Å | 1.46Å | |
| C75 | C76 | sing | 1.53Å | 1.54Å | |
| C75 | C74 | sing | 1.53Å | 1.55Å | |
| C4 | O7 | sing | 1.36Å | 1.35Å | |
| C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.51Å | 1.56Å | |
| C27 | C76 | sing | 1.53Å | 1.54Å | |
| C27 | N24 | sing | 1.48Å | 1.49Å | |
| C17 | C15 | sing | 1.52Å | 1.53Å | |
| C17 | C18 | sing | 1.50Å | 1.50Å | |
| C37 | C36 | doub | 1.34Å | 1.38Å | Aromatic |
| C37 | N38 | sing | 1.37Å | 1.40Å | Aromatic |
| C28 | O30 | doub | 1.22Å | 1.21Å | |
| C18 | C19 | doub | 1.31Å | 1.33Å | |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C36 | C40 | sing | 1.46Å | 1.43Å | Aromatic |
| N24 | C23 | sing | 1.36Å | 1.37Å | |
| C74 | C73 | sing | 1.53Å | 1.55Å | |
| N38 | C39 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | C21 | sing | 1.51Å | 1.51Å | |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C40 | C39 | doub | 1.41Å | 1.35Å | Aromatic |
| C40 | C44 | sing | 1.40Å | 1.39Å | Aromatic |
| C26 | C22 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.51Å | 1.52Å | |
| C23 | O25 | doub | 1.21Å | 1.21Å | |
| C39 | C41 | sing | 1.39Å | 1.39Å | Aromatic |
| C44 | C43 | doub | 1.37Å | 1.40Å | Aromatic |
| C41 | C42 | doub | 1.38Å | 1.40Å | Aromatic |
| C43 | C42 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.10Å | 1.10Å | |
| C15 | H4 | sing | 1.10Å | 1.10Å | |
| C15 | H5 | sing | 1.10Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.11Å | 1.10Å | |
| C17 | H10 | sing | 1.08Å | 1.10Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.08Å | 1.08Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C35 | H29 | sing | 1.09Å | 1.10Å | |
| C37 | H30 | sing | 1.08Å | 1.08Å | |
| C41 | H31 | sing | 1.08Å | 1.08Å | |
| C42 | H32 | sing | 1.08Å | 1.08Å | |
| C43 | H33 | sing | 1.08Å | 1.08Å | |
| C44 | H34 | sing | 1.08Å | 1.08Å | |
| C46 | H35 | sing | 1.09Å | 1.10Å | |
| C46 | H36 | sing | 1.09Å | 1.10Å | |
| C47 | H37 | sing | 1.09Å | 1.10Å | |
| C47 | H38 | sing | 1.09Å | 1.10Å | |
| C5 | H39 | sing | 1.08Å | 1.08Å | |
| C52 | H40 | sing | 1.08Å | 1.08Å | |
| C53 | H41 | sing | 1.08Å | 1.08Å | |
| C55 | H42 | sing | 1.08Å | 1.08Å | |
| C59 | H43 | sing | 1.08Å | 1.08Å | |
| C6 | H44 | sing | 1.08Å | 1.08Å | |
| C63 | H45 | sing | 1.08Å | 1.08Å | |
| C65 | H46 | sing | 1.09Å | 1.10Å | |
| C65 | H47 | sing | 1.09Å | 1.10Å | |
| C65 | H48 | sing | 1.09Å | 1.10Å | |
| C67 | H49 | sing | 1.09Å | 1.10Å | |
| C67 | H50 | sing | 1.09Å | 1.10Å | |
| C67 | H51 | sing | 1.09Å | 1.10Å | |
| C69 | H52 | sing | 1.09Å | 1.10Å | |
| C69 | H53 | sing | 1.09Å | 1.10Å | |
| C69 | H54 | sing | 1.09Å | 1.10Å | |
| C73 | H55 | sing | 1.09Å | 1.10Å | |
| C73 | H56 | sing | 1.09Å | 1.10Å | |
| C74 | H57 | sing | 1.09Å | 1.10Å | |
| C74 | H58 | sing | 1.09Å | 1.10Å | |
| C75 | H59 | sing | 1.09Å | 1.10Å | |
| C75 | H60 | sing | 1.09Å | 1.10Å | |
| C76 | H61 | sing | 1.09Å | 1.10Å | |
| C76 | H62 | sing | 1.09Å | 1.10Å | |
| C78 | H63 | sing | 1.09Å | 1.10Å | |
| C78 | H64 | sing | 1.09Å | 1.10Å | |
| C78 | H65 | sing | 1.09Å | 1.10Å | |
| C9 | H66 | sing | 1.09Å | 1.10Å | |
| N24 | H67 | sing | 0.97Å | 1.00Å | |
| N38 | H68 | sing | 0.97Å | 1.00Å | |
| N49 | H69 | sing | 0.97Å | 1.00Å | |
| N72 | H70 | sing | 0.97Å | 1.00Å | |
| N8 | H71 | sing | 0.97Å | 1.00Å | |
| O7 | H72 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N56 | N57 | C58 | 119.8° | 120.0° |
| N57 | N56 | C51 | 121.2° | 120.0° |
| N57 | C58 | C59 | 119.6° | 120.1° |
| N57 | C58 | C63 | 120.3° | 120.1° |
| N56 | C51 | C52 | 119.3° | 120.2° |
| N56 | C51 | C50 | 121.1° | 120.1° |
| C51 | C52 | C53 | 121.0° | 120.0° |
| C52 | C51 | C50 | 119.5° | 119.7° |
| C51 | C52 | H40 | 119.5° | 120.0° |
| C52 | C53 | C54 | 119.6° | 120.3° |
| C53 | C52 | H40 | 119.5° | 120.0° |
| C52 | C53 | H41 | 120.2° | 119.9° |
| C58 | C59 | C60 | 120.8° | 120.0° |
| C59 | C58 | C63 | 120.0° | 119.8° |
| C58 | C59 | H43 | 119.6° | 120.0° |
| C59 | C60 | O66 | 120.1° | 120.0° |
| C59 | C60 | C61 | 119.1° | 120.0° |
| C60 | C59 | H43 | 119.6° | 120.0° |
| C58 | C63 | C62 | 119.9° | 119.9° |
| C58 | C63 | H45 | 120.0° | 120.0° |
| C67 | O66 | C60 | 123.2° | 117.0° |
| O66 | C67 | H49 | 109.5° | 109.5° |
| O66 | C67 | H50 | 109.4° | 109.5° |
| O66 | C67 | H51 | 109.5° | 109.5° |
| C51 | C50 | N49 | 118.5° | 120.1° |
| C51 | C50 | C55 | 119.1° | 119.8° |
| C53 | C54 | C55 | 119.7° | 120.3° |
| C53 | C54 | O77 | 122.1° | 119.9° |
| C54 | C53 | H41 | 120.2° | 119.8° |
| O66 | C60 | C61 | 120.7° | 119.9° |
| C60 | C61 | C62 | 119.7° | 120.1° |
| C60 | C61 | O64 | 121.7° | 119.9° |
| C63 | C62 | C61 | 119.9° | 120.1° |
| C63 | C62 | O68 | 121.2° | 119.9° |
| C62 | C63 | H45 | 120.0° | 120.1° |
| N49 | C50 | C55 | 122.3° | 120.1° |
| C50 | N49 | C48 | 131.3° | 120.0° |
| C50 | N49 | H69 | 114.4° | 120.0° |
| C50 | C55 | C54 | 121.0° | 120.0° |
| C50 | C55 | H42 | 119.5° | 120.0° |
| C62 | C61 | O64 | 118.6° | 119.9° |
| C61 | C62 | O68 | 118.9° | 120.0° |
| C61 | O64 | C65 | 120.7° | 117.0° |
| C62 | O68 | C69 | 122.7° | 117.0° |
| C55 | C54 | O77 | 118.1° | 119.8° |
| C54 | C55 | H42 | 119.5° | 120.0° |
| C54 | O77 | C78 | 123.2° | 117.0° |
| N49 | C48 | C47 | 114.6° | 120.0° |
| N49 | C48 | O70 | 122.4° | 120.0° |
| C48 | N49 | H69 | 114.4° | 120.0° |
| O64 | C65 | H46 | 109.5° | 109.5° |
| O64 | C65 | H47 | 109.5° | 109.5° |
| O64 | C65 | H48 | 109.5° | 109.5° |
| O77 | C78 | H63 | 109.5° | 109.5° |
| O77 | C78 | H64 | 109.5° | 109.4° |
| O77 | C78 | H65 | 109.4° | 109.5° |
| O68 | C69 | H52 | 109.5° | 109.5° |
| O68 | C69 | H53 | 109.5° | 109.4° |
| O68 | C69 | H54 | 109.5° | 109.5° |
| C48 | C47 | C46 | 113.7° | 109.5° |
| C47 | C48 | O70 | 122.9° | 120.0° |
| C48 | C47 | H37 | 108.4° | 109.4° |
| C48 | C47 | H38 | 108.4° | 109.5° |
| C47 | C46 | C45 | 113.5° | 109.5° |
| C47 | C46 | H35 | 108.4° | 109.4° |
| C47 | C46 | H36 | 108.5° | 109.5° |
| C46 | C47 | H37 | 108.4° | 109.5° |
| C46 | C47 | H38 | 108.4° | 109.5° |
| C46 | C45 | N72 | 114.5° | 120.0° |
| C46 | C45 | O71 | 123.4° | 120.0° |
| C45 | C46 | H35 | 108.5° | 109.5° |
| C45 | C46 | H36 | 108.5° | 109.5° |
| O33 | C32 | C31 | 123.3° | 120.4° |
| O33 | C32 | N8 | 121.1° | 120.9° |
| C34 | N29 | C31 | 117.1° | 121.6° |
| C34 | N29 | C28 | 121.0° | 124.0° |
| N29 | C34 | H25 | 109.5° | 109.5° |
| N29 | C34 | H26 | 109.5° | 109.4° |
| N29 | C34 | H27 | 109.5° | 109.5° |
| O13 | C11 | C10 | 123.8° | 119.7° |
| O13 | C11 | O12 | 123.5° | 120.0° |
| C5 | C6 | C1 | 120.7° | 120.1° |
| C6 | C5 | C4 | 120.2° | 120.0° |
| C6 | C5 | H39 | 119.9° | 120.1° |
| C5 | C6 | H44 | 119.7° | 120.0° |
| C6 | C1 | C9 | 116.9° | 119.9° |
| C6 | C1 | C2 | 118.9° | 120.1° |
| C1 | C6 | H44 | 119.7° | 120.0° |
| C31 | C32 | N8 | 115.5° | 118.7° |
| C32 | C31 | N29 | 113.3° | 109.4° |
| C32 | C31 | C35 | 108.7° | 109.4° |
| C32 | C31 | H24 | 106.7° | 109.6° |
| C32 | N8 | C9 | 123.8° | 116.9° |
| C32 | N8 | H71 | 118.1° | 121.5° |
| C10 | C11 | O12 | 112.7° | 120.3° |
| C11 | C10 | C9 | 111.4° | 111.0° |
| C11 | C10 | H1 | 109.0° | 109.1° |
| C11 | C10 | H2 | 109.0° | 109.5° |
| C11 | O12 | C14 | 119.8° | 117.3° |
| C5 | C4 | O7 | 119.0° | 120.1° |
| C5 | C4 | C3 | 119.9° | 119.9° |
| C4 | C5 | H39 | 119.9° | 120.0° |
| N72 | C45 | O71 | 122.0° | 120.0° |
| C45 | N72 | C73 | 123.7° | 120.0° |
| C45 | N72 | H70 | 118.2° | 120.0° |
| C1 | C9 | C10 | 116.8° | 110.2° |
| C1 | C9 | N8 | 108.8° | 109.5° |
| C9 | C1 | C2 | 124.1° | 119.9° |
| C1 | C9 | H66 | 106.5° | 109.2° |
| C10 | C9 | N8 | 110.7° | 109.6° |
| C9 | C10 | H1 | 109.0° | 109.2° |
| C9 | C10 | H2 | 109.0° | 109.0° |
| C10 | C9 | H66 | 106.3° | 109.1° |
| N8 | C9 | H66 | 107.2° | 109.3° |
| C9 | N8 | H71 | 118.1° | 121.6° |
| C16 | C14 | O12 | 107.5° | 109.4° |
| C16 | C14 | C15 | 111.3° | 112.7° |
| C16 | C14 | H3 | 109.2° | 107.9° |
| C14 | C16 | H6 | 109.5° | 109.5° |
| C14 | C16 | H7 | 109.5° | 109.4° |
| C14 | C16 | H8 | 109.5° | 109.4° |
| O12 | C14 | C15 | 109.4° | 110.6° |
| O12 | C14 | H3 | 110.4° | 107.9° |
| C14 | C15 | C17 | 113.2° | 114.9° |
| C15 | C14 | H3 | 109.1° | 108.2° |
| C14 | C15 | H4 | 108.5° | 108.7° |
| C14 | C15 | H5 | 108.5° | 109.2° |
| C31 | N29 | C28 | 119.4° | 114.5° |
| N29 | C31 | C35 | 113.7° | 109.3° |
| N29 | C31 | H24 | 107.2° | 110.0° |
| N29 | C28 | C27 | 117.7° | 120.4° |
| N29 | C28 | O30 | 120.0° | 120.2° |
| C1 | C2 | C3 | 120.2° | 120.1° |
| C1 | C2 | H12 | 119.9° | 120.0° |
| C31 | C35 | C36 | 112.6° | 109.5° |
| C35 | C31 | H24 | 106.8° | 109.3° |
| C31 | C35 | H28 | 108.7° | 109.5° |
| C31 | C35 | H29 | 108.7° | 109.4° |
| C35 | C36 | C37 | 123.6° | 126.5° |
| C35 | C36 | C40 | 129.3° | 126.5° |
| C36 | C35 | H28 | 108.7° | 109.5° |
| C36 | C35 | H29 | 108.7° | 109.5° |
| N72 | C73 | C74 | 112.6° | 109.5° |
| N72 | C73 | H55 | 108.7° | 109.5° |
| N72 | C73 | H56 | 108.7° | 109.5° |
| C73 | N72 | H70 | 118.1° | 120.0° |
| C76 | C75 | C74 | 114.5° | 109.5° |
| C75 | C76 | C27 | 115.1° | 109.5° |
| C76 | C75 | H59 | 108.2° | 109.4° |
| C76 | C75 | H60 | 108.2° | 109.5° |
| C75 | C76 | H61 | 108.1° | 109.5° |
| C75 | C76 | H62 | 108.0° | 109.4° |
| C75 | C74 | C73 | 114.7° | 109.5° |
| C75 | C74 | H57 | 108.2° | 109.5° |
| C75 | C74 | H58 | 108.1° | 109.5° |
| C74 | C75 | H59 | 108.2° | 109.5° |
| C74 | C75 | H60 | 108.2° | 109.5° |
| O7 | C4 | C3 | 121.1° | 120.0° |
| C4 | O7 | H72 | 109.5° | 114.0° |
| C4 | C3 | C2 | 120.1° | 119.9° |
| C4 | C3 | H23 | 120.0° | 120.0° |
| C28 | C27 | C76 | 108.9° | 109.6° |
| C28 | C27 | N24 | 114.3° | 108.5° |
| C27 | C28 | O30 | 122.1° | 119.3° |
| C28 | C27 | H22 | 105.8° | 111.3° |
| C76 | C27 | N24 | 114.5° | 108.7° |
| C76 | C27 | H22 | 106.0° | 109.6° |
| C27 | C76 | H61 | 108.0° | 109.5° |
| C27 | C76 | H62 | 108.1° | 109.5° |
| C27 | N24 | C23 | 126.4° | 116.4° |
| N24 | C27 | H22 | 106.6° | 109.1° |
| C27 | N24 | H67 | 116.8° | 121.4° |
| C15 | C17 | C18 | 110.9° | 110.6° |
| C17 | C15 | H4 | 108.6° | 108.6° |
| C17 | C15 | H5 | 108.6° | 108.9° |
| C15 | C17 | H9 | 109.1° | 106.9° |
| C15 | C17 | H10 | 109.1° | 114.1° |
| C17 | C18 | C19 | 127.2° | 121.4° |
| C18 | C17 | H9 | 109.1° | 106.9° |
| C18 | C17 | H10 | 109.1° | 111.9° |
| C17 | C18 | H11 | 116.4° | 119.3° |
| C36 | C37 | N38 | 107.8° | 110.0° |
| C37 | C36 | C40 | 107.0° | 107.0° |
| C36 | C37 | H30 | 126.1° | 125.0° |
| C37 | N38 | C39 | 107.2° | 109.8° |
| N38 | C37 | H30 | 126.1° | 125.0° |
| C37 | N38 | H68 | 126.4° | 125.1° |
| C18 | C19 | C21 | 120.8° | 119.8° |
| C18 | C19 | C20 | 124.5° | 120.6° |
| C19 | C18 | H11 | 116.4° | 119.3° |
| C3 | C2 | H12 | 119.9° | 120.0° |
| C2 | C3 | H23 | 120.0° | 120.0° |
| C36 | C40 | C39 | 107.3° | 106.1° |
| C36 | C40 | C44 | 131.0° | 134.0° |
| N24 | C23 | C22 | 116.9° | 119.2° |
| N24 | C23 | O25 | 122.3° | 120.2° |
| C23 | N24 | H67 | 116.8° | 122.2° |
| C74 | C73 | H55 | 108.7° | 109.5° |
| C74 | C73 | H56 | 108.7° | 109.4° |
| C73 | C74 | H57 | 108.1° | 109.4° |
| C73 | C74 | H58 | 108.1° | 109.5° |
| N38 | C39 | C40 | 110.7° | 107.1° |
| N38 | C39 | C41 | 126.9° | 133.5° |
| C39 | N38 | H68 | 126.4° | 125.1° |
| C21 | C19 | C20 | 114.7° | 119.6° |
| C19 | C21 | C22 | 113.4° | 110.5° |
| C19 | C21 | H16 | 108.5° | 109.6° |
| C19 | C21 | H17 | 108.4° | 109.0° |
| C19 | C20 | H13 | 109.5° | 109.5° |
| C19 | C20 | H14 | 109.5° | 109.5° |
| C19 | C20 | H15 | 109.5° | 109.5° |
| C21 | C22 | C26 | 111.0° | 109.2° |
| C21 | C22 | C23 | 114.1° | 109.7° |
| C22 | C21 | H16 | 108.5° | 110.0° |
| C22 | C21 | H17 | 108.5° | 109.3° |
| C21 | C22 | H18 | 106.8° | 110.0° |
| C39 | C40 | C44 | 121.7° | 119.9° |
| C40 | C39 | C41 | 122.4° | 119.4° |
| C40 | C44 | C43 | 117.7° | 119.7° |
| C40 | C44 | H34 | 121.2° | 120.1° |
| C26 | C22 | C23 | 110.6° | 109.3° |
| C26 | C22 | H18 | 106.9° | 109.5° |
| C22 | C26 | H19 | 109.5° | 109.5° |
| C22 | C26 | H20 | 109.5° | 109.5° |
| C22 | C26 | H21 | 109.5° | 109.5° |
| C22 | C23 | O25 | 120.8° | 120.6° |
| C23 | C22 | H18 | 107.0° | 109.2° |
| C39 | C41 | C42 | 117.6° | 119.8° |
| C39 | C41 | H31 | 121.2° | 120.1° |
| C44 | C43 | C42 | 120.5° | 120.6° |
| C44 | C43 | H33 | 119.8° | 119.7° |
| C43 | C44 | H34 | 121.2° | 120.1° |
| C41 | C42 | C43 | 120.1° | 120.7° |
| C42 | C41 | H31 | 121.2° | 120.1° |
| C41 | C42 | H32 | 120.0° | 119.6° |
| C43 | C42 | H32 | 119.9° | 119.7° |
| C42 | C43 | H33 | 119.7° | 119.7° |
| H1 | C10 | H2 | 109.5° | 108.9° |
| H4 | C15 | H5 | 109.5° | 106.2° |
| H6 | C16 | H7 | 109.5° | 109.5° |
| H6 | C16 | H8 | 109.5° | 109.5° |
| H7 | C16 | H8 | 109.5° | 109.5° |
| H9 | C17 | H10 | 109.5° | 106.0° |
| H13 | C20 | H14 | 109.5° | 109.4° |
| H13 | C20 | H15 | 109.4° | 109.4° |
| H14 | C20 | H15 | 109.5° | 109.4° |
| H16 | C21 | H17 | 109.5° | 108.4° |
| H19 | C26 | H20 | 109.5° | 109.5° |
| H19 | C26 | H21 | 109.5° | 109.5° |
| H20 | C26 | H21 | 109.5° | 109.5° |
| H25 | C34 | H26 | 109.4° | 109.5° |
| H25 | C34 | H27 | 109.5° | 109.4° |
| H26 | C34 | H27 | 109.4° | 109.5° |
| H28 | C35 | H29 | 109.5° | 109.5° |
| H35 | C46 | H36 | 109.4° | 109.5° |
| H37 | C47 | H38 | 109.5° | 109.5° |
| H46 | C65 | H47 | 109.5° | 109.4° |
| H46 | C65 | H48 | 109.4° | 109.5° |
| H47 | C65 | H48 | 109.4° | 109.5° |
| H49 | C67 | H50 | 109.5° | 109.5° |
| H49 | C67 | H51 | 109.5° | 109.4° |
| H50 | C67 | H51 | 109.5° | 109.4° |
| H52 | C69 | H53 | 109.5° | 109.5° |
| H52 | C69 | H54 | 109.4° | 109.5° |
| H53 | C69 | H54 | 109.4° | 109.5° |
| H55 | C73 | H56 | 109.5° | 109.5° |
| H57 | C74 | H58 | 109.4° | 109.5° |
| H59 | C75 | H60 | 109.5° | 109.4° |
| H61 | C76 | H62 | 109.5° | 109.4° |
| H63 | C78 | H64 | 109.4° | 109.5° |
| H63 | C78 | H65 | 109.5° | 109.5° |
| H64 | C78 | H65 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N57 | N56 | C51 | C52 | 91.6° | 38.7° |
| N56 | N57 | C58 | C59 | 72.1° | 162.1° |
| N56 | N57 | C58 | C63 | 106.6° | 17.6° |
| N57 | N56 | C51 | C50 | 93.5° | 141.3° |
| C58 | N57 | N56 | C51 | 6.6° | 23.9° |
| N57 | C58 | C59 | C63 | 178.7° | 179.7° |
| N57 | C58 | C59 | C60 | 177.2° | 179.7° |
| N57 | C58 | C63 | C62 | 179.4° | 179.8° |
| N57 | C58 | C59 | H43 | 2.7° | 0.2° |
| N57 | C58 | C63 | H45 | 0.6° | 0.2° |
| N56 | C51 | C52 | C50 | 175.0° | 180.0° |
| N56 | C51 | C52 | C53 | 175.2° | 180.0° |
| N56 | C51 | C50 | N49 | 1.1° | 0.1° |
| N56 | C51 | C50 | C55 | 175.5° | 179.7° |
| N56 | C51 | C52 | H40 | 4.8° | 0.1° |
| C51 | C52 | C53 | H40 | 180.0° | 179.9° |
| C51 | C52 | C53 | C54 | 1.3° | 0.0° |
| C52 | C51 | C50 | N49 | 176.0° | 179.9° |
| C52 | C51 | C50 | C55 | 0.5° | 0.2° |
| C51 | C52 | C53 | H41 | 178.7° | 180.0° |
| C53 | C52 | C51 | C50 | 0.2° | 0.0° |
| C52 | C53 | C54 | H41 | 180.0° | 180.0° |
| C52 | C53 | C54 | C55 | 2.8° | 0.3° |
| C52 | C53 | C54 | O77 | 174.2° | 180.0° |
| C58 | C59 | C60 | H43 | 180.0° | 180.0° |
| C58 | C59 | C60 | O66 | 170.1° | 180.0° |
| C58 | C59 | C60 | C61 | 6.6° | 0.0° |
| C59 | C58 | C63 | C62 | 1.9° | 0.0° |
| C59 | C58 | C63 | H45 | 178.1° | 180.0° |
| C60 | C59 | C58 | C63 | 1.5° | 0.0° |
| C59 | C60 | O66 | C67 | 15.2° | 5.0° |
| C59 | C60 | O66 | C61 | 176.6° | 180.0° |
| C59 | C60 | C61 | C62 | 8.5° | 0.0° |
| C59 | C60 | C61 | O64 | 173.1° | 180.0° |
| C58 | C63 | C62 | H45 | 180.0° | 180.0° |
| C58 | C63 | C62 | C61 | 0.0° | 0.0° |
| C58 | C63 | C62 | O68 | 179.9° | 180.0° |
| C63 | C58 | C59 | H43 | 178.6° | 180.0° |
| C67 | O66 | C60 | C61 | 161.5° | 175.0° |
| O66 | C67 | H49 | H50 | 120.0° | 120.1° |
| O66 | C67 | H49 | H51 | 120.0° | 120.0° |
| O66 | C67 | H50 | H51 | 120.0° | 120.0° |
| C51 | C50 | N49 | C55 | 176.4° | 179.7° |
| C51 | C50 | C55 | C54 | 2.0° | 0.6° |
| C51 | C50 | N49 | C48 | 159.0° | 166.8° |
| C50 | C51 | C52 | H40 | 179.8° | 180.0° |
| C51 | C50 | C55 | H42 | 178.0° | 179.8° |
| C51 | C50 | N49 | H69 | 21.0° | 13.3° |
| C53 | C54 | C55 | C50 | 3.1° | 0.6° |
| C53 | C54 | C55 | O77 | 177.0° | 179.7° |
| C53 | C54 | O77 | C78 | 18.1° | 5.3° |
| C54 | C53 | C52 | H40 | 178.7° | 179.9° |
| C53 | C54 | C55 | H42 | 176.8° | 179.7° |
| O66 | C60 | C61 | C62 | 168.2° | 179.9° |
| O66 | C60 | C61 | O64 | 10.2° | 0.0° |
| O66 | C60 | C59 | H43 | 9.9° | 0.1° |
| C60 | O66 | C67 | H49 | 180.0° | 55.6° |
| C60 | O66 | C67 | H50 | 60.0° | 64.4° |
| C60 | O66 | C67 | H51 | 60.0° | 175.6° |
| C60 | C61 | C62 | C63 | 5.2° | 0.0° |
| C60 | C61 | C62 | O64 | 178.5° | 180.0° |
| C60 | C61 | C62 | O68 | 174.7° | 180.0° |
| C60 | C61 | O64 | C65 | 51.8° | 90.0° |
| C61 | C60 | C59 | H43 | 173.4° | 180.0° |
| C63 | C62 | C61 | O68 | 180.0° | 180.0° |
| C63 | C62 | C61 | O64 | 176.3° | 180.0° |
| C63 | C62 | O68 | C69 | 9.7° | 3.0° |
| N49 | C50 | C55 | C54 | 174.4° | 179.7° |
| C50 | N49 | C48 | H69 | 180.0° | 179.9° |
| C50 | N49 | C48 | C47 | 169.5° | 176.3° |
| C50 | N49 | C48 | O70 | 7.7° | 3.6° |
| N49 | C50 | C55 | H42 | 5.6° | 0.1° |
| C50 | C55 | C54 | H42 | 180.0° | 179.7° |
| C50 | C55 | C54 | O77 | 173.9° | 179.7° |
| C55 | C50 | N49 | C48 | 17.5° | 12.9° |
| C55 | C50 | N49 | H69 | 162.5° | 167.0° |
| C62 | C61 | O64 | C65 | 129.7° | 90.0° |
| C61 | C62 | O68 | C69 | 170.3° | 177.0° |
| C61 | C62 | C63 | H45 | 180.0° | 179.9° |
| O64 | C61 | C62 | O68 | 3.7° | 0.0° |
| C61 | O64 | C65 | H46 | 180.0° | 180.0° |
| C61 | O64 | C65 | H47 | 60.0° | 60.0° |
| C61 | O64 | C65 | H48 | 60.0° | 59.9° |
| O68 | C62 | C63 | H45 | 0.1° | 0.0° |
| C62 | O68 | C69 | H52 | 180.0° | 58.6° |
| C62 | O68 | C69 | H53 | 60.0° | 178.5° |
| C62 | O68 | C69 | H54 | 60.0° | 61.5° |
| C55 | C54 | O77 | C78 | 164.9° | 175.0° |
| C55 | C54 | C53 | H41 | 177.3° | 179.7° |
| O77 | C54 | C53 | H41 | 5.8° | 0.0° |
| O77 | C54 | C55 | H42 | 6.1° | 0.0° |
| C54 | O77 | C78 | H63 | 180.0° | 175.1° |
| C54 | O77 | C78 | H64 | 60.0° | 55.1° |
| C54 | O77 | C78 | H65 | 60.0° | 64.9° |
| N49 | C48 | C47 | O70 | 177.2° | 179.9° |
| N49 | C48 | C47 | C46 | 167.0° | 180.0° |
| N49 | C48 | C47 | H37 | 46.4° | 60.0° |
| N49 | C48 | C47 | H38 | 72.4° | 60.0° |
| O64 | C65 | H46 | H47 | 120.0° | 120.0° |
| O64 | C65 | H46 | H48 | 120.0° | 120.0° |
| O64 | C65 | H47 | H48 | 120.0° | 120.0° |
| O77 | C78 | H63 | H64 | 120.0° | 119.9° |
| O77 | C78 | H63 | H65 | 120.0° | 120.0° |
| O77 | C78 | H64 | H65 | 120.0° | 120.0° |
| O68 | C69 | H52 | H53 | 120.0° | 120.0° |
| O68 | C69 | H52 | H54 | 120.0° | 120.0° |
| O68 | C69 | H53 | H54 | 120.0° | 120.0° |
| C48 | C47 | C46 | H37 | 120.6° | 120.0° |
| C48 | C47 | C46 | H38 | 120.6° | 120.1° |
| C48 | C47 | C46 | C45 | 65.3° | NaN° |
| C48 | C47 | C46 | H35 | 55.3° | 60.0° |
| C48 | C47 | C46 | H36 | 174.1° | 59.9° |
| C48 | C47 | H37 | H38 | 118.1° | 120.0° |
| C47 | C48 | N49 | H69 | 10.5° | 3.8° |
| C46 | C47 | C48 | O70 | 10.2° | 0.1° |
| C47 | C46 | C45 | H35 | 120.6° | 120.0° |
| C47 | C46 | C45 | H36 | 120.6° | 120.0° |
| C47 | C46 | C45 | N72 | 60.9° | 180.0° |
| C47 | C46 | C45 | O71 | 116.6° | 0.1° |
| C47 | C46 | H35 | H36 | 118.2° | 120.0° |
| C46 | C47 | H37 | H38 | 118.1° | 120.0° |
| O70 | C48 | C47 | H37 | 130.8° | 120.0° |
| O70 | C48 | C47 | H38 | 110.4° | 120.0° |
| O70 | C48 | N49 | H69 | 172.3° | 176.3° |
| C46 | C45 | N72 | O71 | 177.6° | 179.9° |
| C46 | C45 | N72 | C73 | 158.4° | 180.0° |
| C45 | C46 | H35 | H36 | 118.2° | 120.0° |
| C45 | C46 | C47 | H37 | 174.1° | 60.0° |
| C45 | C46 | C47 | H38 | 55.3° | 59.9° |
| C46 | C45 | N72 | H70 | 21.6° | 0.1° |
| O33 | C32 | C31 | N8 | 175.1° | 180.0° |
| O33 | C32 | N8 | C9 | 7.5° | 3.7° |
| O33 | C32 | C31 | N29 | 47.9° | 90.1° |
| O33 | C32 | C31 | C35 | 79.5° | 29.5° |
| O33 | C32 | C31 | H24 | 165.7° | 149.2° |
| O33 | C32 | N8 | H71 | 172.5° | 176.6° |
| C34 | N29 | C31 | C32 | 64.2° | 57.7° |
| C34 | N29 | C31 | C28 | 162.0° | 179.6° |
| C34 | N29 | C31 | C35 | 60.6° | 62.0° |
| C34 | N29 | C28 | C27 | 31.6° | 4.7° |
| C34 | N29 | C28 | O30 | 153.8° | 174.8° |
| C34 | N29 | C31 | H24 | 178.4° | 178.1° |
| N29 | C34 | H25 | H26 | 120.0° | 120.0° |
| N29 | C34 | H25 | H27 | 120.0° | 120.0° |
| N29 | C34 | H26 | H27 | 120.0° | 120.0° |
| O13 | C11 | C10 | O12 | 178.7° | 179.1° |
| O13 | C11 | C10 | C9 | 26.0° | 96.5° |
| O13 | C11 | O12 | C14 | 0.1° | 4.8° |
| O13 | C11 | C10 | H1 | 146.3° | 23.9° |
| O13 | C11 | C10 | H2 | 94.3° | 143.1° |
| C5 | C6 | C1 | H44 | 180.0° | 179.9° |
| C6 | C5 | C4 | H39 | 180.0° | 180.0° |
| C5 | C6 | C1 | C9 | 179.9° | 179.7° |
| C5 | C6 | C1 | C2 | 0.0° | 0.0° |
| C6 | C5 | C4 | O7 | 179.9° | 180.0° |
| C6 | C5 | C4 | C3 | 0.8° | 0.0° |
| C1 | C6 | C5 | C4 | 0.6° | 0.0° |
| C6 | C1 | C9 | C2 | 179.9° | 179.8° |
| C6 | C1 | C9 | C10 | 170.5° | 80.2° |
| C6 | C1 | C9 | N8 | 63.3° | 40.4° |
| C6 | C1 | C2 | C3 | 0.5° | 0.0° |
| C6 | C1 | C2 | H12 | 179.5° | 180.0° |
| C1 | C6 | C5 | H39 | 179.4° | 180.0° |
| C6 | C1 | C9 | H66 | 51.9° | 160.0° |
| C31 | C32 | N8 | C9 | 167.7° | 176.3° |
| C32 | C31 | N29 | C35 | 124.8° | 119.7° |
| C32 | C31 | N29 | H24 | 117.4° | 120.4° |
| C32 | C31 | N29 | C28 | 97.8° | 122.7° |
| C32 | C31 | C35 | H24 | 114.8° | 119.9° |
| C32 | C31 | C35 | C36 | 165.9° | 174.9° |
| C32 | C31 | C35 | H28 | 45.5° | 54.9° |
| C32 | C31 | C35 | H29 | 73.6° | 65.1° |
| C31 | C32 | N8 | H71 | 12.3° | 3.4° |
| C32 | N8 | C9 | C1 | 112.8° | 118.0° |
| C32 | N8 | C9 | C10 | 117.6° | 121.0° |
| C32 | N8 | C9 | H71 | 180.0° | 179.7° |
| N8 | C32 | C31 | N29 | 137.0° | 89.9° |
| N8 | C32 | C31 | C35 | 95.6° | 150.5° |
| N8 | C32 | C31 | H24 | 19.3° | 30.7° |
| C32 | N8 | C9 | H66 | 2.0° | 1.5° |
| C11 | C10 | C9 | C1 | 163.7° | 38.3° |
| C11 | C10 | C9 | H1 | 120.3° | 120.4° |
| C11 | C10 | C9 | H2 | 120.3° | 120.7° |
| C11 | C10 | C9 | N8 | 71.0° | 82.3° |
| C10 | C11 | O12 | C14 | 178.6° | 176.2° |
| C11 | C10 | H1 | H2 | 119.1° | 119.5° |
| C11 | C10 | C9 | H66 | 45.1° | 158.1° |
| O12 | C11 | C10 | C9 | 155.3° | 84.4° |
| C11 | O12 | C14 | C16 | 130.8° | 130.9° |
| C11 | O12 | C14 | C15 | 108.3° | 104.4° |
| O12 | C11 | C10 | H1 | 35.0° | 155.1° |
| O12 | C11 | C10 | H2 | 84.4° | 36.0° |
| C11 | O12 | C14 | H3 | 11.8° | 13.8° |
| C5 | C4 | O7 | C3 | 179.2° | 180.0° |
| C5 | C4 | C3 | C2 | 0.3° | 0.0° |
| C5 | C4 | C3 | H23 | 179.7° | 180.0° |
| C4 | C5 | C6 | H44 | 179.4° | 179.9° |
| C5 | C4 | O7 | H72 | 180.0° | 90.1° |
| C45 | N72 | C73 | H70 | 180.0° | 179.9° |
| C45 | N72 | C73 | C74 | 99.0° | 180.0° |
| N72 | C45 | C46 | H35 | 178.5° | 60.1° |
| N72 | C45 | C46 | H36 | 59.7° | 60.0° |
| C45 | N72 | C73 | H55 | 21.4° | 60.0° |
| C45 | N72 | C73 | H56 | 140.5° | 60.0° |
| O71 | C45 | N72 | C73 | 19.2° | 0.0° |
| O71 | C45 | C46 | H35 | 4.0° | 120.0° |
| O71 | C45 | C46 | H36 | 122.8° | 120.0° |
| O71 | C45 | N72 | H70 | 160.8° | 180.0° |
| C1 | C9 | C10 | N8 | 125.2° | 120.6° |
| C1 | C9 | C10 | H66 | 118.6° | 119.8° |
| C1 | C9 | N8 | H66 | 114.8° | 119.5° |
| C9 | C1 | C2 | C3 | 179.5° | 179.8° |
| C1 | C9 | C10 | H1 | 76.0° | 82.1° |
| C1 | C9 | C10 | H2 | 43.4° | 159.0° |
| C9 | C1 | C2 | H12 | 0.6° | 0.3° |
| C9 | C1 | C6 | H44 | 0.1° | 0.2° |
| C1 | C9 | N8 | H71 | 67.2° | 61.7° |
| C10 | C9 | N8 | H66 | 115.6° | 119.5° |
| C10 | C9 | C1 | C2 | 9.6° | 100.0° |
| C9 | C10 | H1 | H2 | 119.2° | 119.0° |
| C10 | C9 | N8 | H71 | 62.4° | 59.3° |
| N8 | C9 | C1 | C2 | 116.6° | 139.3° |
| N8 | C9 | C10 | H1 | 49.2° | 157.3° |
| N8 | C9 | C10 | H2 | 168.7° | 38.4° |
| C16 | C14 | O12 | C15 | 120.9° | 124.7° |
| C16 | C14 | O12 | H3 | 119.0° | 117.1° |
| C16 | C14 | C15 | H3 | 120.5° | 119.2° |
| C16 | C14 | C15 | C17 | 179.2° | 23.7° |
| C16 | C14 | C15 | H4 | 60.2° | 145.6° |
| C16 | C14 | C15 | H5 | 58.6° | 98.9° |
| C14 | C16 | H6 | H7 | 120.0° | 119.9° |
| C14 | C16 | H6 | H8 | 120.0° | 119.9° |
| C14 | C16 | H7 | H8 | 120.0° | 119.9° |
| O12 | C14 | C15 | H3 | 120.8° | 118.0° |
| O12 | C14 | C15 | C17 | 60.6° | 99.0° |
| O12 | C14 | C15 | H4 | 178.9° | 22.8° |
| O12 | C14 | C15 | H5 | 60.0° | 138.3° |
| O12 | C14 | C16 | H6 | 180.0° | 60.0° |
| O12 | C14 | C16 | H7 | 60.0° | 180.0° |
| O12 | C14 | C16 | H8 | 60.0° | 60.0° |
| C14 | C15 | C17 | H4 | 120.6° | 122.0° |
| C14 | C15 | C17 | H5 | 120.5° | 122.9° |
| C14 | C15 | C17 | C18 | 153.6° | 82.6° |
| C14 | C15 | H4 | H5 | 118.3° | 117.4° |
| C15 | C14 | C16 | H6 | 60.3° | 63.4° |
| C15 | C14 | C16 | H7 | 179.7° | 56.6° |
| C15 | C14 | C16 | H8 | 59.7° | 176.5° |
| C14 | C15 | C17 | H9 | 86.2° | 161.5° |
| C14 | C15 | C17 | H10 | 33.3° | 44.6° |
| N29 | C31 | C35 | H24 | 118.0° | 120.4° |
| N29 | C31 | C35 | C36 | 66.9° | 65.4° |
| C31 | N29 | C28 | C27 | 167.1° | 174.9° |
| C31 | N29 | C28 | O30 | 7.5° | 5.6° |
| C31 | N29 | C34 | H25 | 180.0° | 89.9° |
| C31 | N29 | C34 | H26 | 60.0° | 150.0° |
| C31 | N29 | C34 | H27 | 60.0° | 30.0° |
| N29 | C31 | C35 | H28 | 172.7° | 174.6° |
| N29 | C31 | C35 | H29 | 53.6° | 54.6° |
| C28 | N29 | C31 | C35 | 137.4° | 117.6° |
| N29 | C28 | C27 | O30 | 174.5° | 179.5° |
| N29 | C28 | C27 | C76 | 71.6° | 87.2° |
| N29 | C28 | C27 | N24 | 158.9° | 154.2° |
| N29 | C28 | C27 | H22 | 42.0° | 34.2° |
| C28 | N29 | C31 | H24 | 19.6° | 2.3° |
| C28 | N29 | C34 | H25 | 18.3° | 90.5° |
| C28 | N29 | C34 | H26 | 138.3° | 29.5° |
| C28 | N29 | C34 | H27 | 101.7° | 149.5° |
| C1 | C2 | C3 | C4 | 0.3° | 0.0° |
| C1 | C2 | C3 | H12 | 180.0° | 180.0° |
| C1 | C2 | C3 | H23 | 179.7° | 180.0° |
| C2 | C1 | C6 | H44 | 180.0° | 179.9° |
| C2 | C1 | C9 | H66 | 128.1° | 19.8° |
| C31 | C35 | C36 | H28 | 120.5° | 120.0° |
| C31 | C35 | C36 | H29 | 120.5° | 120.0° |
| C31 | C35 | C36 | C37 | 98.9° | 94.6° |
| C31 | C35 | C36 | C40 | 85.2° | 85.0° |
| C31 | C35 | H28 | H29 | 118.6° | 119.9° |
| C35 | C36 | C37 | C40 | 176.7° | 179.7° |
| C35 | C36 | C37 | N38 | 175.8° | 180.0° |
| C35 | C36 | C40 | C39 | 175.0° | 180.0° |
| C35 | C36 | C40 | C44 | 4.9° | 0.0° |
| C36 | C35 | C31 | H24 | 51.1° | 55.0° |
| C36 | C35 | H28 | H29 | 118.6° | 120.0° |
| C35 | C36 | C37 | H30 | 4.2° | 0.1° |
| N72 | C73 | C74 | C75 | 62.3° | 180.0° |
| N72 | C73 | C74 | H55 | 120.5° | 120.0° |
| N72 | C73 | C74 | H56 | 120.4° | 120.0° |
| N72 | C73 | H55 | H56 | 118.6° | 120.0° |
| N72 | C73 | C74 | H57 | 58.5° | 60.0° |
| N72 | C73 | C74 | H58 | 176.9° | 60.0° |
| C76 | C75 | C74 | H59 | 120.8° | 120.0° |
| C76 | C75 | C74 | H60 | 120.7° | 120.0° |
| C75 | C76 | C27 | C28 | 161.5° | 175.0° |
| C75 | C76 | C27 | H61 | 120.8° | 120.0° |
| C75 | C76 | C27 | H62 | 120.8° | 120.0° |
| C75 | C76 | C27 | N24 | 69.1° | 66.6° |
| C76 | C75 | C74 | C73 | 136.3° | 180.0° |
| C75 | C76 | C27 | H22 | 48.1° | 52.5° |
| C76 | C75 | C74 | H57 | 102.9° | 60.1° |
| C76 | C75 | C74 | H58 | 15.6° | 60.0° |
| C76 | C75 | H59 | H60 | 117.7° | 119.9° |
| C75 | C76 | H61 | H62 | 117.5° | 119.9° |
| C74 | C75 | C76 | C27 | 76.3° | 180.0° |
| C75 | C74 | C73 | H57 | 120.8° | 120.0° |
| C75 | C74 | C73 | H58 | 120.8° | 120.0° |
| C75 | C74 | C73 | H55 | 58.1° | 60.0° |
| C75 | C74 | C73 | H56 | 177.2° | 60.0° |
| C75 | C74 | H57 | H58 | 117.6° | 120.0° |
| C74 | C75 | H59 | H60 | 117.7° | 120.0° |
| C74 | C75 | C76 | H61 | 162.9° | 59.9° |
| C74 | C75 | C76 | H62 | 44.5° | 60.0° |
| O7 | C4 | C3 | C2 | 179.5° | 180.0° |
| O7 | C4 | C3 | H23 | 0.5° | 0.1° |
| O7 | C4 | C5 | H39 | 0.1° | 0.0° |
| C4 | C3 | C2 | H23 | 180.0° | 180.0° |
| C4 | C3 | C2 | H12 | 179.6° | 180.0° |
| C3 | C4 | C5 | H39 | 179.2° | 180.0° |
| C3 | C4 | O7 | H72 | 0.9° | 90.0° |
| C28 | C27 | C76 | N24 | 129.3° | 118.4° |
| C28 | C27 | C76 | H22 | 113.5° | 122.4° |
| C28 | C27 | N24 | H22 | 116.5° | 121.4° |
| C28 | C27 | N24 | C23 | 66.0° | 94.0° |
| C28 | C27 | C76 | H61 | 40.7° | 65.0° |
| C28 | C27 | C76 | H62 | 77.7° | 55.0° |
| C28 | C27 | N24 | H67 | 114.0° | 86.1° |
| C76 | C27 | N24 | H22 | 116.9° | 119.5° |
| C76 | C27 | C28 | O30 | 102.9° | 93.2° |
| C76 | C27 | N24 | C23 | 60.6° | 146.9° |
| C27 | C76 | C75 | H59 | 162.9° | 60.0° |
| C27 | C76 | C75 | H60 | 44.4° | 59.9° |
| C27 | C76 | H61 | H62 | 117.5° | 120.0° |
| C76 | C27 | N24 | H67 | 119.4° | 33.0° |
| N24 | C27 | C28 | O30 | 26.6° | 25.3° |
| C27 | N24 | C23 | H67 | 180.0° | 179.9° |
| C27 | N24 | C23 | C22 | 177.5° | 179.0° |
| C27 | N24 | C23 | O25 | 5.2° | 1.2° |
| N24 | C27 | C76 | H61 | 170.0° | 53.4° |
| N24 | C27 | C76 | H62 | 51.7° | 173.4° |
| C15 | C17 | C18 | H9 | 120.2° | 115.9° |
| C15 | C17 | C18 | H10 | 120.2° | 128.4° |
| C15 | C17 | C18 | C19 | 75.5° | 172.3° |
| C17 | C15 | C14 | H3 | 60.3° | 143.0° |
| C17 | C15 | H4 | H5 | 118.3° | 116.9° |
| C15 | C17 | H9 | H10 | 119.3° | 122.1° |
| C15 | C17 | C18 | H11 | 104.5° | 7.9° |
| C17 | C18 | C19 | H11 | 180.0° | 179.8° |
| C17 | C18 | C19 | C21 | 179.1° | 177.2° |
| C17 | C18 | C19 | C20 | 0.7° | 3.0° |
| C18 | C17 | C15 | H4 | 33.0° | 39.4° |
| C18 | C17 | C15 | H5 | 85.9° | 154.6° |
| C18 | C17 | H9 | H10 | 119.4° | 119.5° |
| C36 | C37 | N38 | H30 | 180.0° | 179.9° |
| C36 | C37 | N38 | C39 | 0.0° | 0.2° |
| C37 | C36 | C40 | C39 | 1.5° | 0.3° |
| C37 | C36 | C40 | C44 | 178.6° | 179.7° |
| C37 | C36 | C35 | H28 | 140.7° | 145.3° |
| C37 | C36 | C35 | H29 | 21.6° | 25.3° |
| C36 | C37 | N38 | H68 | 180.0° | 180.0° |
| N38 | C37 | C36 | C40 | 0.9° | 0.3° |
| C37 | N38 | C39 | H68 | 180.0° | 179.8° |
| C37 | N38 | C39 | C40 | 1.0° | 0.0° |
| C37 | N38 | C39 | C41 | 179.9° | 179.8° |
| O30 | C28 | C27 | H22 | 143.5° | 145.3° |
| C18 | C19 | C21 | C20 | 179.9° | 179.7° |
| C18 | C19 | C21 | C22 | 110.0° | 97.8° |
| C19 | C18 | C17 | H9 | 44.7° | 56.4° |
| C19 | C18 | C17 | H10 | 164.2° | 59.3° |
| C18 | C19 | C20 | H13 | 180.0° | 0.0° |
| C18 | C19 | C20 | H14 | 60.0° | 120.0° |
| C18 | C19 | C20 | H15 | 60.0° | 120.0° |
| C18 | C19 | C21 | H16 | 10.6° | 23.6° |
| C18 | C19 | C21 | H17 | 129.4° | 142.1° |
| C36 | C40 | C39 | N38 | 1.6° | 0.1° |
| C36 | C40 | C39 | C44 | 179.9° | 180.0° |
| C36 | C40 | C39 | C41 | 179.3° | 180.0° |
| C36 | C40 | C44 | C43 | 179.3° | 180.0° |
| C40 | C36 | C35 | H28 | 35.3° | 35.0° |
| C40 | C36 | C35 | H29 | 154.4° | 155.0° |
| C40 | C36 | C37 | H30 | 179.1° | 179.8° |
| C36 | C40 | C44 | H34 | 0.7° | 0.0° |
| N24 | C23 | C22 | C21 | 56.4° | 176.1° |
| N24 | C23 | C22 | C26 | 69.6° | 64.3° |
| N24 | C23 | C22 | O25 | 177.4° | 179.9° |
| N24 | C23 | C22 | H18 | 174.3° | 55.4° |
| C23 | N24 | C27 | H22 | 177.5° | 27.4° |
| C74 | C73 | H55 | H56 | 118.6° | 119.9° |
| C73 | C74 | H57 | H58 | 117.6° | 120.0° |
| C73 | C74 | C75 | H59 | 15.6° | 60.0° |
| C73 | C74 | C75 | H60 | 102.9° | 60.0° |
| C74 | C73 | N72 | H70 | 81.0° | 0.0° |
| N38 | C39 | C40 | C41 | 179.1° | 179.9° |
| N38 | C39 | C40 | C44 | 178.6° | 179.8° |
| N38 | C39 | C41 | C42 | 179.1° | 179.8° |
| C39 | N38 | C37 | H30 | 180.0° | 179.9° |
| N38 | C39 | C41 | H31 | 0.9° | 0.2° |
| C19 | C21 | C22 | H16 | 120.6° | 121.2° |
| C19 | C21 | C22 | H17 | 120.6° | 119.9° |
| C19 | C21 | C22 | C26 | 163.1° | 126.5° |
| C19 | C21 | C22 | C23 | 37.3° | 113.8° |
| C21 | C19 | C18 | H11 | 0.9° | 3.0° |
| C21 | C19 | C20 | H13 | 0.2° | 179.8° |
| C21 | C19 | C20 | H14 | 119.9° | 59.8° |
| C21 | C19 | C20 | H15 | 120.1° | 60.3° |
| C19 | C21 | H16 | H17 | 118.2° | 118.8° |
| C19 | C21 | C22 | H18 | 80.7° | 6.4° |
| C20 | C19 | C21 | C22 | 70.1° | 81.9° |
| C20 | C19 | C18 | H11 | 179.2° | 176.8° |
| C19 | C20 | H13 | H14 | 120.0° | 120.1° |
| C19 | C20 | H13 | H15 | 120.0° | 120.0° |
| C19 | C20 | H14 | H15 | 120.0° | 120.1° |
| C20 | C19 | C21 | H16 | 169.3° | 156.7° |
| C20 | C19 | C21 | H17 | 50.4° | 38.2° |
| C21 | C22 | C26 | C23 | 127.7° | 120.0° |
| C21 | C22 | C26 | H18 | 116.2° | 120.4° |
| C21 | C22 | C23 | H18 | 117.9° | 120.6° |
| C21 | C22 | C23 | O25 | 126.2° | 4.1° |
| C22 | C21 | H16 | H17 | 118.2° | 119.5° |
| C21 | C22 | C26 | H19 | 180.0° | 60.0° |
| C21 | C22 | C26 | H20 | 60.0° | 180.0° |
| C21 | C22 | C26 | H21 | 60.0° | 60.0° |
| C39 | C40 | C44 | C43 | 0.5° | 0.0° |
| C40 | C39 | C41 | C42 | 0.1° | 0.0° |
| C40 | C39 | C41 | H31 | 179.9° | 180.0° |
| C39 | C40 | C44 | H34 | 179.5° | 180.0° |
| C40 | C39 | N38 | H68 | 179.0° | 179.9° |
| C44 | C40 | C39 | C41 | 0.6° | 0.0° |
| C40 | C44 | C43 | H34 | 180.0° | 180.0° |
| C40 | C44 | C43 | C42 | 0.2° | 0.0° |
| C40 | C44 | C43 | H33 | 179.8° | 179.9° |
| C26 | C22 | C23 | H18 | 116.1° | 119.7° |
| C26 | C22 | C23 | O25 | 107.9° | 115.6° |
| C26 | C22 | C21 | H16 | 42.5° | 112.3° |
| C26 | C22 | C21 | H17 | 76.4° | 6.6° |
| C22 | C26 | H19 | H20 | 120.0° | 120.0° |
| C22 | C26 | H19 | H21 | 120.0° | 120.0° |
| C22 | C26 | H20 | H21 | 120.0° | 120.0° |
| C23 | C22 | C21 | H16 | 83.2° | 7.4° |
| C23 | C22 | C21 | H17 | 157.9° | 126.3° |
| C23 | C22 | C26 | H19 | 52.4° | 180.0° |
| C23 | C22 | C26 | H20 | 67.6° | 60.0° |
| C23 | C22 | C26 | H21 | 172.3° | 59.9° |
| C22 | C23 | N24 | H67 | 2.6° | 1.1° |
| O25 | C23 | C22 | H18 | 8.3° | 124.7° |
| O25 | C23 | N24 | H67 | 174.8° | 178.8° |
| C39 | C41 | C42 | H31 | 180.0° | 179.9° |
| C39 | C41 | C42 | C43 | 0.7° | 0.1° |
| C39 | C41 | C42 | H32 | 179.3° | 180.0° |
| C41 | C39 | N38 | H68 | 0.1° | 0.0° |
| C44 | C43 | C42 | C41 | 0.8° | 0.1° |
| C44 | C43 | C42 | H33 | 180.0° | 179.9° |
| C44 | C43 | C42 | H32 | 179.2° | 180.0° |
| C41 | C42 | C43 | H32 | 180.0° | 180.0° |
| C41 | C42 | C43 | H33 | 179.2° | 180.0° |
| C43 | C42 | C41 | H31 | 179.2° | 180.0° |
| C42 | C43 | C44 | H34 | 179.8° | 180.0° |
| H1 | C10 | C9 | H66 | 165.4° | 37.7° |
| H2 | C10 | C9 | H66 | 75.2° | 81.2° |
| H3 | C14 | C15 | H4 | 60.3° | 95.1° |
| H3 | C14 | C15 | H5 | 179.2° | 20.3° |
| H3 | C14 | C16 | H6 | 60.2° | 177.1° |
| H3 | C14 | C16 | H7 | 59.8° | 62.9° |
| H3 | C14 | C16 | H8 | 179.7° | 57.1° |
| H4 | C15 | C17 | H9 | 153.2° | 76.5° |
| H4 | C15 | C17 | H10 | 87.2° | 166.6° |
| H5 | C15 | C17 | H9 | 34.3° | 38.6° |
| H5 | C15 | C17 | H10 | 153.8° | 78.2° |
| H6 | C16 | H7 | H8 | 120.0° | 120.1° |
| H9 | C17 | C18 | H11 | 135.3° | 123.8° |
| H10 | C17 | C18 | H11 | 15.7° | 120.5° |
| H12 | C2 | C3 | H23 | 0.3° | 0.1° |
| H13 | C20 | H14 | H15 | 119.9° | 119.9° |
| H16 | C21 | C22 | H18 | 158.7° | 127.6° |
| H17 | C21 | C22 | H18 | 39.9° | 113.5° |
| H18 | C22 | C26 | H19 | 63.8° | 60.4° |
| H18 | C22 | C26 | H20 | 176.2° | 59.6° |
| H18 | C22 | C26 | H21 | 56.2° | 179.5° |
| H19 | C26 | H20 | H21 | 120.0° | 120.0° |
| H22 | C27 | C76 | H61 | 72.8° | 172.6° |
| H22 | C27 | C76 | H62 | 168.9° | 67.4° |
| H22 | C27 | N24 | H67 | 2.5° | 152.5° |
| H24 | C31 | C35 | H28 | 69.3° | 65.0° |
| H24 | C31 | C35 | H29 | 171.6° | 175.0° |
| H25 | C34 | H26 | H27 | 120.0° | 120.0° |
| H30 | C37 | N38 | H68 | 0.0° | 0.0° |
| H31 | C41 | C42 | H32 | 0.8° | 0.0° |
| H32 | C42 | C43 | H33 | 0.8° | 0.1° |
| H33 | C43 | C44 | H34 | 0.2° | 0.0° |
| H35 | C46 | C47 | H37 | 65.3° | 180.0° |
| H35 | C46 | C47 | H38 | 176.0° | 60.0° |
| H36 | C46 | C47 | H37 | 53.5° | 60.0° |
| H36 | C46 | C47 | H38 | 65.3° | 180.0° |
| H39 | C5 | C6 | H44 | 0.6° | 0.1° |
| H40 | C52 | C53 | H41 | 1.3° | 0.1° |
| H46 | C65 | H47 | H48 | 119.9° | 120.0° |
| H49 | C67 | H50 | H51 | 120.0° | 119.9° |
| H52 | C69 | H53 | H54 | 120.0° | 120.0° |
| H55 | C73 | C74 | H57 | 179.0° | 60.0° |
| H55 | C73 | C74 | H58 | 62.6° | 180.0° |
| H55 | C73 | N72 | H70 | 158.6° | 120.0° |
| H56 | C73 | C74 | H57 | 62.0° | 180.0° |
| H56 | C73 | C74 | H58 | 56.5° | 60.0° |
| H56 | C73 | N72 | H70 | 39.5° | 120.0° |
| H57 | C74 | C75 | H59 | 136.4° | 179.9° |
| H57 | C74 | C75 | H60 | 17.9° | 60.0° |
| H58 | C74 | C75 | H59 | 105.2° | 60.0° |
| H58 | C74 | C75 | H60 | 136.3° | 180.0° |
| H59 | C75 | C76 | H61 | 42.1° | 60.1° |
| H59 | C75 | C76 | H62 | 76.3° | 180.0° |
| H60 | C75 | C76 | H61 | 76.4° | 180.0° |
| H60 | C75 | C76 | H62 | 165.2° | 60.0° |
| H63 | C78 | H64 | H65 | 120.0° | 120.0° |
| H66 | C9 | N8 | H71 | 178.0° | 178.8° |
