PRD_000107
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.48Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | C3 | sing | 1.53Å | 1.54Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.24Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | O2 | sing | 1.36Å | 1.38Å | |
| O2 | H10 | sing | 0.97Å | 0.95Å | |
| N2 | C10 | sing | 1.46Å | 1.47Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | C12 | sing | 1.53Å | 1.51Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | O3 | doub | 1.21Å | 1.22Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C15 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | sing | 1.39Å | 1.37Å | Aromatic |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | O4 | sing | 1.36Å | 1.38Å | |
| O4 | H19 | sing | 0.97Å | 0.95Å | |
| N3 | C19 | sing | 1.47Å | 1.45Å | |
| N3 | H20 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C19 | C21 | sing | 1.53Å | 1.54Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | O5 | doub | 1.21Å | 1.23Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | H24 | sing | 1.08Å | 1.08Å | |
| C24 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | H25 | sing | 1.08Å | 1.08Å | |
| C25 | C27 | doub | 1.39Å | 1.37Å | Aromatic |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| C27 | O6 | sing | 1.36Å | 1.37Å | |
| O6 | H28 | sing | 0.97Å | 0.95Å | |
| N4 | C28 | sing | 1.46Å | 1.45Å | |
| N4 | H29 | sing | 0.97Å | 1.00Å | |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C28 | C30 | sing | 1.53Å | 1.53Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | O7 | doub | 1.21Å | 1.24Å | |
| C30 | C31 | sing | 1.51Å | 1.52Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | H33 | sing | 1.08Å | 1.08Å | |
| C33 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | H34 | sing | 1.08Å | 1.08Å | |
| C34 | C36 | doub | 1.39Å | 1.38Å | Aromatic |
| C34 | H35 | sing | 1.08Å | 1.08Å | |
| C35 | C36 | sing | 1.39Å | 1.38Å | Aromatic |
| C35 | H36 | sing | 1.08Å | 1.08Å | |
| C36 | O8 | sing | 1.36Å | 1.38Å | |
| O8 | H37 | sing | 0.97Å | 0.95Å | |
| N5 | C37 | sing | 1.47Å | 1.46Å | |
| N5 | H38 | sing | 0.97Å | 1.00Å | |
| C37 | C38 | sing | 1.51Å | 1.51Å | |
| C37 | C39 | sing | 1.53Å | 1.54Å | |
| C37 | H39 | sing | 1.09Å | 1.10Å | |
| C38 | O9 | doub | 1.21Å | 1.24Å | |
| C39 | C40 | sing | 1.51Å | 1.50Å | |
| C39 | H40 | sing | 1.09Å | 1.10Å | |
| C39 | H41 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | doub | 1.38Å | 1.41Å | Aromatic |
| C40 | C42 | sing | 1.38Å | 1.38Å | Aromatic |
| C41 | C43 | sing | 1.38Å | 1.39Å | Aromatic |
| C41 | H42 | sing | 1.08Å | 1.08Å | |
| C42 | C44 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | H43 | sing | 1.08Å | 1.08Å | |
| C43 | C45 | doub | 1.39Å | 1.38Å | Aromatic |
| C43 | H44 | sing | 1.08Å | 1.08Å | |
| C44 | C45 | sing | 1.39Å | 1.36Å | Aromatic |
| C44 | H45 | sing | 1.08Å | 1.08Å | |
| C45 | O10 | sing | 1.36Å | 1.39Å | |
| O10 | H46 | sing | 0.97Å | 0.95Å | |
| N6 | C46 | sing | 1.47Å | 1.46Å | |
| N6 | H47 | sing | 0.97Å | 1.00Å | |
| C46 | C47 | sing | 1.51Å | 1.52Å | |
| C46 | C48 | sing | 1.53Å | 1.52Å | |
| C46 | H48 | sing | 1.09Å | 1.10Å | |
| C47 | O11 | doub | 1.21Å | 1.24Å | |
| C48 | C49 | sing | 1.51Å | 1.52Å | |
| C48 | H49 | sing | 1.09Å | 1.10Å | |
| C48 | H50 | sing | 1.09Å | 1.10Å | |
| C49 | C50 | doub | 1.38Å | 1.41Å | Aromatic |
| C49 | C51 | sing | 1.38Å | 1.37Å | Aromatic |
| C50 | C52 | sing | 1.38Å | 1.38Å | Aromatic |
| C50 | H51 | sing | 1.08Å | 1.08Å | |
| C51 | C53 | doub | 1.38Å | 1.37Å | Aromatic |
| C51 | H52 | sing | 1.08Å | 1.08Å | |
| C52 | C54 | doub | 1.39Å | 1.37Å | Aromatic |
| C52 | H53 | sing | 1.08Å | 1.08Å | |
| C53 | C54 | sing | 1.39Å | 1.38Å | Aromatic |
| C53 | H54 | sing | 1.08Å | 1.08Å | |
| C54 | O12 | sing | 1.36Å | 1.38Å | |
| O12 | H55 | sing | 0.97Å | 0.95Å | |
| N7 | C55 | sing | 1.47Å | 1.45Å | |
| N7 | H56 | sing | 0.97Å | 1.00Å | |
| C55 | C56 | sing | 1.51Å | 1.51Å | |
| C55 | C57 | sing | 1.53Å | 1.55Å | |
| C55 | H57 | sing | 1.09Å | 1.10Å | |
| C56 | O13 | doub | 1.21Å | 1.22Å | |
| C57 | C58 | sing | 1.51Å | 1.51Å | |
| C57 | H58 | sing | 1.09Å | 1.10Å | |
| C57 | H59 | sing | 1.09Å | 1.10Å | |
| C58 | C59 | doub | 1.38Å | 1.38Å | Aromatic |
| C58 | C60 | sing | 1.38Å | 1.39Å | Aromatic |
| C59 | C61 | sing | 1.38Å | 1.40Å | Aromatic |
| C59 | H60 | sing | 1.08Å | 1.08Å | |
| C60 | C62 | doub | 1.38Å | 1.40Å | Aromatic |
| C60 | H61 | sing | 1.08Å | 1.08Å | |
| C61 | C63 | doub | 1.39Å | 1.38Å | Aromatic |
| C61 | H62 | sing | 1.08Å | 1.08Å | |
| C62 | C63 | sing | 1.39Å | 1.37Å | Aromatic |
| C62 | H63 | sing | 1.08Å | 1.08Å | |
| C63 | O14 | sing | 1.36Å | 1.38Å | |
| O14 | H64 | sing | 0.97Å | 0.95Å | |
| N8 | C64 | sing | 1.46Å | 1.47Å | |
| N8 | H65 | sing | 0.97Å | 1.00Å | |
| C64 | C65 | sing | 1.51Å | 1.52Å | |
| C64 | C66 | sing | 1.53Å | 1.53Å | |
| C64 | H66 | sing | 1.09Å | 1.10Å | |
| C65 | O15 | doub | 1.21Å | 1.24Å | |
| C66 | C67 | sing | 1.51Å | 1.52Å | |
| C66 | H67 | sing | 1.09Å | 1.10Å | |
| C66 | H68 | sing | 1.09Å | 1.10Å | |
| C67 | C68 | doub | 1.38Å | 1.38Å | Aromatic |
| C67 | C69 | sing | 1.38Å | 1.40Å | Aromatic |
| C68 | C70 | sing | 1.38Å | 1.38Å | Aromatic |
| C68 | H69 | sing | 1.08Å | 1.08Å | |
| C69 | C71 | doub | 1.38Å | 1.39Å | Aromatic |
| C69 | H70 | sing | 1.08Å | 1.08Å | |
| C70 | C72 | doub | 1.39Å | 1.37Å | Aromatic |
| C70 | H71 | sing | 1.08Å | 1.08Å | |
| C71 | C72 | sing | 1.39Å | 1.40Å | Aromatic |
| C71 | H72 | sing | 1.08Å | 1.08Å | |
| C72 | O16 | sing | 1.36Å | 1.39Å | |
| O16 | H73 | sing | 0.97Å | 0.95Å | |
| N9 | C73 | sing | 1.46Å | 1.48Å | |
| N9 | H74 | sing | 0.97Å | 1.00Å | |
| C73 | C74 | sing | 1.51Å | 1.51Å | |
| C73 | C75 | sing | 1.53Å | 1.54Å | |
| C73 | H75 | sing | 1.09Å | 1.10Å | |
| C74 | O17 | doub | 1.21Å | 1.24Å | |
| C74 | O18 | sing | 1.34Å | 1.18Å | |
| C75 | C76 | sing | 1.53Å | 1.54Å | |
| C75 | H76 | sing | 1.09Å | 1.10Å | |
| C75 | H77 | sing | 1.09Å | 1.10Å | |
| C76 | C77 | sing | 1.53Å | 1.53Å | |
| C76 | H78 | sing | 1.09Å | 1.10Å | |
| C76 | H79 | sing | 1.09Å | 1.10Å | |
| C77 | C78 | sing | 1.53Å | 1.52Å | |
| C77 | H80 | sing | 1.09Å | 1.10Å | |
| C77 | H81 | sing | 1.09Å | 1.10Å | |
| C78 | N10 | sing | 1.47Å | 1.50Å | |
| C78 | H82 | sing | 1.09Å | 1.10Å | |
| C78 | H83 | sing | 1.09Å | 1.10Å | |
| N10 | H84 | sing | 1.01Å | 1.00Å | |
| N10 | H85 | sing | 1.01Å | 1.00Å | |
| N10 | H86 | sing | 1.01Å | 1.00Å | |
| O18 | H87 | sing | 0.97Å | 0.95Å | |
| C2 | N2 | sing | 1.35Å | 1.33Å | |
| C11 | N3 | sing | 1.35Å | 1.32Å | |
| C20 | N4 | sing | 1.35Å | 1.33Å | |
| C29 | N5 | sing | 1.35Å | 1.31Å | |
| C38 | N6 | sing | 1.35Å | 1.32Å | |
| C47 | N7 | sing | 1.35Å | 1.32Å | |
| C56 | N8 | sing | 1.35Å | 1.33Å | |
| C65 | N9 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 109.5° | 111.0° |
| C1 | N1 | H2 | 109.5° | 111.0° |
| N1 | C1 | C2 | 108.1° | 109.4° |
| N1 | C1 | C3 | 111.4° | 109.5° |
| N1 | C1 | H3 | 109.8° | 109.5° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| C2 | C1 | C3 | 109.3° | 109.5° |
| C2 | C1 | H3 | 109.2° | 109.5° |
| C1 | C2 | O1 | 120.4° | 120.0° |
| C1 | C2 | N2 | 117.1° | 120.0° |
| C3 | C1 | H3 | 109.0° | 109.5° |
| C1 | C3 | C4 | 114.2° | 109.4° |
| C1 | C3 | H4 | 108.3° | 109.5° |
| C1 | C3 | H5 | 108.3° | 109.5° |
| O1 | C2 | N2 | 122.4° | 120.0° |
| C4 | C3 | H4 | 108.3° | 109.4° |
| C4 | C3 | H5 | 108.3° | 109.5° |
| C3 | C4 | C5 | 119.2° | 120.0° |
| C3 | C4 | C6 | 123.0° | 119.9° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| C5 | C4 | C6 | 117.8° | 120.1° |
| C4 | C5 | C7 | 120.2° | 120.1° |
| C4 | C5 | H6 | 119.9° | 119.9° |
| C4 | C6 | C8 | 122.4° | 120.1° |
| C4 | C6 | H7 | 118.8° | 120.0° |
| C7 | C5 | H6 | 119.9° | 120.0° |
| C5 | C7 | C9 | 120.0° | 120.0° |
| C5 | C7 | H8 | 120.0° | 120.1° |
| C8 | C6 | H7 | 118.8° | 120.0° |
| C6 | C8 | C9 | 118.5° | 120.0° |
| C6 | C8 | H9 | 120.8° | 120.0° |
| C9 | C7 | H8 | 120.0° | 120.0° |
| C7 | C9 | C8 | 121.0° | 119.8° |
| C7 | C9 | O2 | 120.4° | 120.1° |
| C9 | C8 | H9 | 120.7° | 120.0° |
| C8 | C9 | O2 | 118.6° | 120.1° |
| C9 | O2 | H10 | 109.5° | 114.1° |
| C10 | N2 | H11 | 121.2° | 120.1° |
| N2 | C10 | C11 | 106.2° | 109.4° |
| N2 | C10 | C12 | 112.5° | 109.5° |
| N2 | C10 | H12 | 109.8° | 109.4° |
| C10 | N2 | C2 | 117.5° | 120.0° |
| H11 | N2 | C2 | 121.3° | 120.0° |
| C11 | C10 | C12 | 110.2° | 109.5° |
| C11 | C10 | H12 | 108.9° | 109.5° |
| C10 | C11 | O3 | 123.6° | 120.0° |
| C10 | C11 | N3 | 112.7° | 120.0° |
| C12 | C10 | H12 | 109.2° | 109.6° |
| C10 | C12 | C13 | 110.0° | 109.5° |
| C10 | C12 | H13 | 109.3° | 109.4° |
| C10 | C12 | H14 | 109.3° | 109.5° |
| O3 | C11 | N3 | 123.6° | 120.0° |
| C13 | C12 | H13 | 109.3° | 109.5° |
| C13 | C12 | H14 | 109.3° | 109.5° |
| C12 | C13 | C14 | 119.2° | 120.0° |
| C12 | C13 | C15 | 121.0° | 120.0° |
| H13 | C12 | H14 | 109.5° | 109.4° |
| C14 | C13 | C15 | 119.7° | 120.1° |
| C13 | C14 | C16 | 122.1° | 120.1° |
| C13 | C14 | H15 | 119.0° | 120.0° |
| C13 | C15 | C17 | 117.6° | 120.1° |
| C13 | C15 | H16 | 121.2° | 119.9° |
| C16 | C14 | H15 | 119.0° | 120.0° |
| C14 | C16 | C18 | 118.0° | 119.9° |
| C14 | C16 | H17 | 121.0° | 120.1° |
| C17 | C15 | H16 | 121.2° | 120.0° |
| C15 | C17 | C18 | 122.3° | 119.9° |
| C15 | C17 | H18 | 118.8° | 120.0° |
| C18 | C16 | H17 | 121.0° | 120.0° |
| C16 | C18 | C17 | 120.2° | 119.9° |
| C16 | C18 | O4 | 117.5° | 120.0° |
| C18 | C17 | H18 | 118.8° | 120.1° |
| C17 | C18 | O4 | 122.3° | 120.1° |
| C18 | O4 | H19 | 109.5° | 114.0° |
| C19 | N3 | H20 | 118.8° | 120.0° |
| N3 | C19 | C20 | 111.2° | 109.5° |
| N3 | C19 | C21 | 109.7° | 109.4° |
| N3 | C19 | H21 | 109.7° | 109.5° |
| C19 | N3 | C11 | 122.5° | 120.0° |
| H20 | N3 | C11 | 118.8° | 119.9° |
| C20 | C19 | C21 | 109.0° | 109.5° |
| C20 | C19 | H21 | 108.7° | 109.5° |
| C19 | C20 | O5 | 124.3° | 120.0° |
| C19 | C20 | N4 | 112.9° | 120.0° |
| C21 | C19 | H21 | 108.5° | 109.5° |
| C19 | C21 | C22 | 109.9° | 109.5° |
| C19 | C21 | H22 | 109.4° | 109.5° |
| C19 | C21 | H23 | 109.4° | 109.5° |
| O5 | C20 | N4 | 122.8° | 120.0° |
| C22 | C21 | H22 | 109.4° | 109.5° |
| C22 | C21 | H23 | 109.4° | 109.5° |
| C21 | C22 | C23 | 123.1° | 120.0° |
| C21 | C22 | C24 | 119.0° | 120.0° |
| H22 | C21 | H23 | 109.4° | 109.4° |
| C23 | C22 | C24 | 117.9° | 120.1° |
| C22 | C23 | C25 | 120.9° | 120.1° |
| C22 | C23 | H24 | 119.5° | 120.0° |
| C22 | C24 | C26 | 121.8° | 120.1° |
| C22 | C24 | H25 | 119.1° | 119.9° |
| C25 | C23 | H24 | 119.5° | 119.9° |
| C23 | C25 | C27 | 119.7° | 119.9° |
| C23 | C25 | H26 | 120.2° | 120.0° |
| C26 | C24 | H25 | 119.1° | 120.0° |
| C24 | C26 | C27 | 118.7° | 120.0° |
| C24 | C26 | H27 | 120.7° | 120.0° |
| C27 | C25 | H26 | 120.2° | 120.1° |
| C25 | C27 | C26 | 121.0° | 119.9° |
| C25 | C27 | O6 | 122.1° | 120.0° |
| C27 | C26 | H27 | 120.6° | 120.0° |
| C26 | C27 | O6 | 116.9° | 120.1° |
| C27 | O6 | H28 | 109.5° | 113.9° |
| C28 | N4 | H29 | 120.1° | 120.0° |
| N4 | C28 | C29 | 110.5° | 109.5° |
| N4 | C28 | C30 | 110.8° | 109.5° |
| N4 | C28 | H30 | 109.8° | 109.4° |
| C28 | N4 | C20 | 119.7° | 120.0° |
| H29 | N4 | C20 | 120.2° | 120.0° |
| C29 | C28 | C30 | 107.9° | 109.4° |
| C29 | C28 | H30 | 109.0° | 109.5° |
| C28 | C29 | O7 | 118.7° | 120.0° |
| C28 | C29 | N5 | 114.9° | 120.0° |
| C30 | C28 | H30 | 108.8° | 109.5° |
| C28 | C30 | C31 | 110.8° | 109.4° |
| C28 | C30 | H31 | 109.1° | 109.5° |
| C28 | C30 | H32 | 109.2° | 109.5° |
| O7 | C29 | N5 | 126.4° | 120.0° |
| C31 | C30 | H31 | 109.2° | 109.4° |
| C31 | C30 | H32 | 109.1° | 109.5° |
| C30 | C31 | C32 | 118.9° | 119.9° |
| C30 | C31 | C33 | 119.6° | 119.9° |
| H31 | C30 | H32 | 109.5° | 109.5° |
| C32 | C31 | C33 | 121.4° | 120.1° |
| C31 | C32 | C34 | 119.0° | 120.0° |
| C31 | C32 | H33 | 120.5° | 120.0° |
| C31 | C33 | C35 | 120.1° | 120.1° |
| C31 | C33 | H34 | 119.9° | 119.9° |
| C34 | C32 | H33 | 120.5° | 120.0° |
| C32 | C34 | C36 | 118.4° | 120.0° |
| C32 | C34 | H35 | 120.8° | 120.0° |
| C35 | C33 | H34 | 119.9° | 120.0° |
| C33 | C35 | C36 | 116.8° | 120.0° |
| C33 | C35 | H36 | 121.6° | 120.0° |
| C36 | C34 | H35 | 120.8° | 120.0° |
| C34 | C36 | C35 | 124.1° | 119.9° |
| C34 | C36 | O8 | 116.5° | 120.1° |
| C36 | C35 | H36 | 121.6° | 120.0° |
| C35 | C36 | O8 | 119.3° | 120.1° |
| C36 | O8 | H37 | 109.5° | 114.0° |
| C37 | N5 | H38 | 118.8° | 120.0° |
| N5 | C37 | C38 | 109.2° | 109.5° |
| N5 | C37 | C39 | 107.3° | 109.5° |
| N5 | C37 | H39 | 110.3° | 109.5° |
| C37 | N5 | C29 | 122.4° | 120.0° |
| H38 | N5 | C29 | 118.8° | 120.0° |
| C38 | C37 | C39 | 111.2° | 109.5° |
| C38 | C37 | H39 | 109.6° | 109.4° |
| C37 | C38 | O9 | 121.3° | 120.0° |
| C37 | C38 | N6 | 116.9° | 120.0° |
| C39 | C37 | H39 | 109.2° | 109.5° |
| C37 | C39 | C40 | 112.6° | 109.4° |
| C37 | C39 | H40 | 108.7° | 109.5° |
| C37 | C39 | H41 | 108.7° | 109.5° |
| O9 | C38 | N6 | 121.7° | 120.0° |
| C40 | C39 | H40 | 108.7° | 109.5° |
| C40 | C39 | H41 | 108.7° | 109.5° |
| C39 | C40 | C41 | 122.9° | 119.9° |
| C39 | C40 | C42 | 118.6° | 120.0° |
| H40 | C39 | H41 | 109.5° | 109.5° |
| C41 | C40 | C42 | 118.6° | 120.1° |
| C40 | C41 | C43 | 119.3° | 120.0° |
| C40 | C41 | H42 | 120.3° | 120.0° |
| C40 | C42 | C44 | 121.4° | 120.1° |
| C40 | C42 | H43 | 119.3° | 120.0° |
| C43 | C41 | H42 | 120.3° | 120.0° |
| C41 | C43 | C45 | 120.1° | 119.9° |
| C41 | C43 | H44 | 119.9° | 120.0° |
| C44 | C42 | H43 | 119.3° | 119.9° |
| C42 | C44 | C45 | 119.0° | 119.9° |
| C42 | C44 | H45 | 120.5° | 120.0° |
| C45 | C43 | H44 | 120.0° | 120.0° |
| C43 | C45 | C44 | 121.5° | 119.9° |
| C43 | C45 | O10 | 120.1° | 120.0° |
| C45 | C44 | H45 | 120.5° | 120.1° |
| C44 | C45 | O10 | 118.3° | 120.0° |
| C45 | O10 | H46 | 109.5° | 114.0° |
| C46 | N6 | H47 | 118.5° | 119.9° |
| N6 | C46 | C47 | 107.5° | 109.5° |
| N6 | C46 | C48 | 110.3° | 109.5° |
| N6 | C46 | H48 | 109.9° | 109.4° |
| C46 | N6 | C38 | 122.9° | 120.0° |
| H47 | N6 | C38 | 118.6° | 120.1° |
| C47 | C46 | C48 | 110.9° | 109.5° |
| C47 | C46 | H48 | 109.1° | 109.5° |
| C46 | C47 | O11 | 119.7° | 120.0° |
| C46 | C47 | N7 | 114.9° | 120.0° |
| C48 | C46 | H48 | 109.1° | 109.5° |
| C46 | C48 | C49 | 115.4° | 109.5° |
| C46 | C48 | H49 | 108.0° | 109.4° |
| C46 | C48 | H50 | 108.0° | 109.5° |
| O11 | C47 | N7 | 125.3° | 120.0° |
| C49 | C48 | H49 | 108.0° | 109.5° |
| C49 | C48 | H50 | 108.0° | 109.5° |
| C48 | C49 | C50 | 117.3° | 119.9° |
| C48 | C49 | C51 | 123.5° | 120.0° |
| H49 | C48 | H50 | 109.5° | 109.4° |
| C50 | C49 | C51 | 119.3° | 120.1° |
| C49 | C50 | C52 | 118.6° | 120.1° |
| C49 | C50 | H51 | 120.7° | 120.0° |
| C49 | C51 | C53 | 123.0° | 120.1° |
| C49 | C51 | H52 | 118.5° | 120.0° |
| C52 | C50 | H51 | 120.7° | 120.0° |
| C50 | C52 | C54 | 119.8° | 119.9° |
| C50 | C52 | H53 | 120.1° | 120.0° |
| C53 | C51 | H52 | 118.5° | 120.0° |
| C51 | C53 | C54 | 116.6° | 119.9° |
| C51 | C53 | H54 | 121.7° | 120.0° |
| C54 | C52 | H53 | 120.1° | 120.0° |
| C52 | C54 | C53 | 122.7° | 119.9° |
| C52 | C54 | O12 | 119.2° | 120.0° |
| C54 | C53 | H54 | 121.7° | 120.0° |
| C53 | C54 | O12 | 118.2° | 120.1° |
| C54 | O12 | H55 | 109.5° | 114.1° |
| C55 | N7 | H56 | 119.4° | 120.0° |
| N7 | C55 | C56 | 110.7° | 109.4° |
| N7 | C55 | C57 | 111.6° | 109.5° |
| N7 | C55 | H57 | 109.9° | 109.4° |
| C55 | N7 | C47 | 121.2° | 120.0° |
| H56 | N7 | C47 | 119.4° | 120.1° |
| C56 | C55 | C57 | 107.0° | 109.5° |
| C56 | C55 | H57 | 109.0° | 109.5° |
| C55 | C56 | O13 | 122.8° | 120.0° |
| C55 | C56 | N8 | 112.9° | 119.9° |
| C57 | C55 | H57 | 108.5° | 109.5° |
| C55 | C57 | C58 | 108.8° | 109.5° |
| C55 | C57 | H58 | 109.7° | 109.5° |
| C55 | C57 | H59 | 109.7° | 109.5° |
| O13 | C56 | N8 | 124.3° | 120.0° |
| C58 | C57 | H58 | 109.6° | 109.5° |
| C58 | C57 | H59 | 109.6° | 109.4° |
| C57 | C58 | C59 | 120.6° | 119.9° |
| C57 | C58 | C60 | 118.6° | 119.9° |
| H58 | C57 | H59 | 109.4° | 109.5° |
| C59 | C58 | C60 | 120.8° | 120.2° |
| C58 | C59 | C61 | 119.4° | 120.0° |
| C58 | C59 | H60 | 120.3° | 120.0° |
| C58 | C60 | C62 | 119.6° | 120.1° |
| C58 | C60 | H61 | 120.2° | 120.0° |
| C61 | C59 | H60 | 120.3° | 120.0° |
| C59 | C61 | C63 | 119.5° | 120.0° |
| C59 | C61 | H62 | 120.3° | 120.0° |
| C62 | C60 | H61 | 120.2° | 119.9° |
| C60 | C62 | C63 | 119.1° | 119.9° |
| C60 | C62 | H63 | 120.4° | 120.0° |
| C63 | C61 | H62 | 120.2° | 120.0° |
| C61 | C63 | C62 | 121.6° | 119.9° |
| C61 | C63 | O14 | 118.6° | 120.1° |
| C63 | C62 | H63 | 120.5° | 120.1° |
| C62 | C63 | O14 | 119.8° | 120.0° |
| C63 | O14 | H64 | 109.5° | 114.0° |
| C64 | N8 | H65 | 121.0° | 120.0° |
| N8 | C64 | C65 | 108.2° | 109.5° |
| N8 | C64 | C66 | 109.6° | 109.5° |
| N8 | C64 | H66 | 110.1° | 109.5° |
| C64 | N8 | C56 | 118.0° | 120.0° |
| H65 | N8 | C56 | 121.0° | 120.0° |
| C65 | C64 | C66 | 110.6° | 109.5° |
| C65 | C64 | H66 | 109.3° | 109.5° |
| C64 | C65 | O15 | 120.2° | 120.0° |
| C64 | C65 | N9 | 116.5° | 120.0° |
| C66 | C64 | H66 | 109.1° | 109.4° |
| C64 | C66 | C67 | 109.9° | 109.5° |
| C64 | C66 | H67 | 109.4° | 109.5° |
| C64 | C66 | H68 | 109.4° | 109.5° |
| O15 | C65 | N9 | 123.3° | 120.0° |
| C67 | C66 | H67 | 109.4° | 109.5° |
| C67 | C66 | H68 | 109.3° | 109.4° |
| C66 | C67 | C68 | 120.3° | 119.9° |
| C66 | C67 | C69 | 120.0° | 119.9° |
| H67 | C66 | H68 | 109.5° | 109.5° |
| C68 | C67 | C69 | 119.8° | 120.1° |
| C67 | C68 | C70 | 122.1° | 120.1° |
| C67 | C68 | H69 | 118.9° | 120.0° |
| C67 | C69 | C71 | 119.1° | 120.1° |
| C67 | C69 | H70 | 120.5° | 120.0° |
| C70 | C68 | H69 | 119.0° | 119.9° |
| C68 | C70 | C72 | 117.2° | 119.9° |
| C68 | C70 | H71 | 121.4° | 120.1° |
| C71 | C69 | H70 | 120.4° | 120.0° |
| C69 | C71 | C72 | 118.7° | 120.0° |
| C69 | C71 | H72 | 120.7° | 120.0° |
| C72 | C70 | H71 | 121.4° | 120.0° |
| C70 | C72 | C71 | 123.1° | 119.9° |
| C70 | C72 | O16 | 118.2° | 120.0° |
| C72 | C71 | H72 | 120.6° | 120.0° |
| C71 | C72 | O16 | 118.7° | 120.1° |
| C72 | O16 | H73 | 109.5° | 114.0° |
| C73 | N9 | H74 | 120.1° | 120.1° |
| N9 | C73 | C74 | 110.6° | 109.5° |
| N9 | C73 | C75 | 108.2° | 109.5° |
| N9 | C73 | H75 | 109.5° | 109.5° |
| C73 | N9 | C65 | 119.8° | 120.0° |
| H74 | N9 | C65 | 120.1° | 120.0° |
| C74 | C73 | C75 | 110.6° | 109.4° |
| C74 | C73 | H75 | 109.1° | 109.5° |
| C73 | C74 | O17 | 119.2° | 120.0° |
| C73 | C74 | O18 | 117.3° | 120.0° |
| C75 | C73 | H75 | 108.7° | 109.5° |
| C73 | C75 | C76 | 113.2° | 109.4° |
| C73 | C75 | H76 | 108.6° | 109.5° |
| C73 | C75 | H77 | 108.6° | 109.5° |
| O17 | C74 | O18 | 123.5° | 120.0° |
| C74 | O18 | H87 | 109.5° | 117.0° |
| C76 | C75 | H76 | 108.5° | 109.5° |
| C76 | C75 | H77 | 108.5° | 109.4° |
| C75 | C76 | C77 | 109.6° | 109.5° |
| C75 | C76 | H78 | 109.4° | 109.5° |
| C75 | C76 | H79 | 109.4° | 109.4° |
| H76 | C75 | H77 | 109.5° | 109.5° |
| C77 | C76 | H78 | 109.4° | 109.5° |
| C77 | C76 | H79 | 109.5° | 109.4° |
| C76 | C77 | C78 | 112.6° | 109.5° |
| C76 | C77 | H80 | 108.7° | 109.5° |
| C76 | C77 | H81 | 108.7° | 109.4° |
| H78 | C76 | H79 | 109.5° | 109.5° |
| C78 | C77 | H80 | 108.7° | 109.5° |
| C78 | C77 | H81 | 108.7° | 109.5° |
| C77 | C78 | N10 | 110.4° | 109.5° |
| C77 | C78 | H82 | 109.2° | 109.5° |
| C77 | C78 | H83 | 109.2° | 109.5° |
| H80 | C77 | H81 | 109.5° | 109.5° |
| N10 | C78 | H82 | 109.2° | 109.4° |
| N10 | C78 | H83 | 109.2° | 109.4° |
| C78 | N10 | H84 | 109.5° | 109.5° |
| C78 | N10 | H85 | 109.5° | 109.5° |
| C78 | N10 | H86 | 109.5° | 109.4° |
| H82 | C78 | H83 | 109.5° | 109.5° |
| H84 | N10 | H85 | 109.5° | 109.5° |
| H84 | N10 | H86 | 109.5° | 109.5° |
| H85 | N10 | H86 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 120.0° | 124.0° |
| N1 | C1 | C2 | C3 | 121.4° | 120.0° |
| N1 | C1 | C2 | H3 | 119.4° | 119.9° |
| N1 | C1 | C3 | H3 | 121.2° | 120.0° |
| N1 | C1 | C2 | O1 | 63.2° | 20.0° |
| N1 | C1 | C3 | C4 | 174.3° | 65.0° |
| N1 | C1 | C3 | H4 | 65.0° | 55.0° |
| N1 | C1 | C3 | H5 | 53.6° | 175.0° |
| N1 | C1 | C2 | N2 | 119.1° | 160.0° |
| H1 | N1 | C1 | C2 | 180.0° | 64.0° |
| H1 | N1 | C1 | C3 | 59.8° | 176.0° |
| H1 | N1 | C1 | H3 | 60.9° | 56.0° |
| H2 | N1 | C1 | C2 | 60.0° | 60.0° |
| H2 | N1 | C1 | C3 | 179.8° | 60.0° |
| H2 | N1 | C1 | H3 | 59.0° | 179.9° |
| C2 | C1 | C3 | H3 | 119.3° | 120.0° |
| C1 | C2 | O1 | N2 | 177.5° | 179.9° |
| C2 | C1 | C3 | C4 | 54.8° | 175.1° |
| C2 | C1 | C3 | H4 | 175.5° | 65.0° |
| C2 | C1 | C3 | H5 | 65.9° | 55.0° |
| C1 | C2 | N2 | C10 | 179.3° | 180.0° |
| C1 | C2 | N2 | H11 | 0.7° | 0.1° |
| C3 | C1 | C2 | O1 | 58.3° | 100.0° |
| C1 | C3 | C4 | H4 | 120.7° | 120.0° |
| C1 | C3 | C4 | H5 | 120.7° | 120.1° |
| C1 | C3 | H4 | H5 | 117.8° | 120.0° |
| C1 | C3 | C4 | C5 | 86.5° | 90.0° |
| C1 | C3 | C4 | C6 | 94.3° | 90.3° |
| C3 | C1 | C2 | N2 | 119.4° | 80.0° |
| H3 | C1 | C2 | O1 | 177.4° | 140.0° |
| H3 | C1 | C3 | C4 | 64.5° | 55.0° |
| H3 | C1 | C3 | H4 | 56.2° | 175.0° |
| H3 | C1 | C3 | H5 | 174.8° | 65.0° |
| H3 | C1 | C2 | N2 | 0.3° | 40.1° |
| O1 | C2 | N2 | C10 | 3.1° | 0.0° |
| O1 | C2 | N2 | H11 | 176.9° | 180.0° |
| C4 | C3 | H4 | H5 | 117.8° | 120.0° |
| C3 | C4 | C5 | C6 | 179.3° | 179.7° |
| C3 | C4 | C5 | C7 | 179.8° | 180.0° |
| C3 | C4 | C5 | H6 | 0.2° | 0.0° |
| C3 | C4 | C6 | C8 | 179.8° | 180.0° |
| C3 | C4 | C6 | H7 | 0.1° | 0.0° |
| H4 | C3 | C4 | C5 | 34.2° | 30.0° |
| H4 | C3 | C4 | C6 | 145.0° | 149.7° |
| H5 | C3 | C4 | C5 | 152.9° | 150.0° |
| H5 | C3 | C4 | C6 | 26.4° | 29.7° |
| C4 | C5 | C7 | H6 | 180.0° | 179.9° |
| C5 | C4 | C6 | C8 | 0.9° | 0.3° |
| C5 | C4 | C6 | H7 | 179.1° | 179.7° |
| C4 | C5 | C7 | C9 | 0.0° | 0.0° |
| C4 | C5 | C7 | H8 | 180.0° | 180.0° |
| C6 | C4 | C5 | C7 | 0.6° | 0.3° |
| C6 | C4 | C5 | H6 | 179.5° | 179.7° |
| C4 | C6 | C8 | H7 | 180.0° | 180.0° |
| C4 | C6 | C8 | C9 | 0.7° | 0.0° |
| C4 | C6 | C8 | H9 | 179.4° | 180.0° |
| C5 | C7 | C9 | H8 | 180.0° | 180.0° |
| C5 | C7 | C9 | C8 | 0.2° | 0.3° |
| C5 | C7 | C9 | O2 | 179.8° | 180.0° |
| H6 | C5 | C7 | C9 | 180.0° | 180.0° |
| H6 | C5 | C7 | H8 | 0.0° | 0.0° |
| C6 | C8 | C9 | C7 | 0.1° | 0.3° |
| C6 | C8 | C9 | H9 | 180.0° | 180.0° |
| C6 | C8 | C9 | O2 | 179.5° | 180.0° |
| H7 | C6 | C8 | C9 | 179.4° | 180.0° |
| H7 | C6 | C8 | H9 | 0.6° | 0.0° |
| C7 | C9 | C8 | O2 | 179.6° | 179.7° |
| C7 | C9 | C8 | H9 | 179.9° | 179.7° |
| C7 | C9 | O2 | H10 | 180.0° | 90.0° |
| H8 | C7 | C9 | C8 | 179.8° | 179.7° |
| H8 | C7 | C9 | O2 | 0.2° | 0.0° |
| C8 | C9 | O2 | H10 | 0.4° | 89.7° |
| H9 | C8 | C9 | O2 | 0.4° | 0.0° |
| C10 | N2 | H11 | C2 | 180.0° | 180.0° |
| N2 | C10 | C11 | C12 | 122.1° | 120.0° |
| N2 | C10 | C11 | H12 | 118.2° | 119.9° |
| N2 | C10 | C12 | H12 | 122.1° | 120.0° |
| N2 | C10 | C11 | O3 | 93.1° | 0.0° |
| N2 | C10 | C12 | C13 | 167.6° | 65.1° |
| N2 | C10 | C12 | H13 | 72.3° | 175.0° |
| N2 | C10 | C12 | H14 | 47.5° | 55.0° |
| N2 | C10 | C11 | N3 | 84.0° | 180.0° |
| H11 | N2 | C10 | C11 | 28.2° | 25.0° |
| H11 | N2 | C10 | C12 | 92.5° | 95.0° |
| H11 | N2 | C10 | H12 | 145.8° | 144.9° |
| C11 | C10 | C12 | H12 | 119.5° | 120.0° |
| C10 | C11 | O3 | N3 | 176.8° | 180.0° |
| C11 | C10 | C12 | C13 | 74.1° | 175.0° |
| C11 | C10 | C12 | H13 | 46.0° | 55.0° |
| C11 | C10 | C12 | H14 | 165.9° | 64.9° |
| C10 | C11 | N3 | C19 | 174.5° | 180.0° |
| C10 | C11 | N3 | H20 | 5.5° | 0.0° |
| C11 | C10 | N2 | C2 | 151.8° | 155.0° |
| C12 | C10 | C11 | O3 | 29.1° | 120.0° |
| C10 | C12 | C13 | H13 | 120.1° | 119.9° |
| C10 | C12 | C13 | H14 | 120.1° | 120.0° |
| C10 | C12 | H13 | H14 | 119.7° | 120.0° |
| C10 | C12 | C13 | C14 | 72.1° | 90.0° |
| C10 | C12 | C13 | C15 | 107.4° | 90.3° |
| C12 | C10 | N2 | C2 | 87.6° | 85.0° |
| C12 | C10 | C11 | N3 | 153.8° | 60.0° |
| H12 | C10 | C11 | O3 | 148.8° | 119.9° |
| H12 | C10 | C12 | C13 | 45.5° | 55.0° |
| H12 | C10 | C12 | H13 | 165.6° | 65.0° |
| H12 | C10 | C12 | H14 | 74.6° | 175.0° |
| H12 | C10 | N2 | C2 | 34.2° | 35.0° |
| H12 | C10 | C11 | N3 | 34.1° | 60.0° |
| O3 | C11 | N3 | C19 | 2.6° | 0.0° |
| O3 | C11 | N3 | H20 | 177.4° | 180.0° |
| C13 | C12 | H13 | H14 | 119.8° | 120.1° |
| C12 | C13 | C14 | C15 | 179.5° | 179.7° |
| C12 | C13 | C14 | C16 | 179.8° | 180.0° |
| C12 | C13 | C14 | H15 | 0.2° | 0.1° |
| C12 | C13 | C15 | C17 | 179.8° | 180.0° |
| C12 | C13 | C15 | H16 | 0.2° | 0.0° |
| H13 | C12 | C13 | C14 | 167.8° | 30.0° |
| H13 | C12 | C13 | C15 | 12.6° | 149.7° |
| H14 | C12 | C13 | C14 | 47.9° | 150.0° |
| H14 | C12 | C13 | C15 | 132.5° | 29.7° |
| C13 | C14 | C16 | H15 | 180.0° | 180.0° |
| C14 | C13 | C15 | C17 | 0.3° | 0.3° |
| C14 | C13 | C15 | H16 | 179.7° | 179.7° |
| C13 | C14 | C16 | C18 | 0.4° | 0.0° |
| C13 | C14 | C16 | H17 | 179.6° | 180.0° |
| C15 | C13 | C14 | C16 | 0.7° | 0.3° |
| C15 | C13 | C14 | H15 | 179.4° | 179.8° |
| C13 | C15 | C17 | H16 | 180.0° | 180.0° |
| C13 | C15 | C17 | C18 | 0.3° | 0.0° |
| C13 | C15 | C17 | H18 | 179.7° | 179.9° |
| C14 | C16 | C18 | H17 | 180.0° | 180.0° |
| C14 | C16 | C18 | C17 | 0.2° | 0.3° |
| C14 | C16 | C18 | O4 | 179.7° | 180.0° |
| H15 | C14 | C16 | C18 | 179.6° | 180.0° |
| H15 | C14 | C16 | H17 | 0.4° | 0.0° |
| C15 | C17 | C18 | C16 | 0.6° | 0.3° |
| C15 | C17 | C18 | H18 | 180.0° | 179.9° |
| C15 | C17 | C18 | O4 | 180.0° | 180.0° |
| H16 | C15 | C17 | C18 | 179.7° | 180.0° |
| H16 | C15 | C17 | H18 | 0.3° | 0.1° |
| C16 | C18 | C17 | O4 | 179.4° | 179.8° |
| C16 | C18 | C17 | H18 | 179.4° | 179.7° |
| C16 | C18 | O4 | H19 | 180.0° | 90.0° |
| H17 | C16 | C18 | C17 | 179.8° | 179.8° |
| H17 | C16 | C18 | O4 | 0.3° | 0.0° |
| C17 | C18 | O4 | H19 | 0.6° | 89.8° |
| H18 | C17 | C18 | O4 | 0.0° | 0.1° |
| C19 | N3 | H20 | C11 | 180.0° | 180.0° |
| N3 | C19 | C20 | C21 | 121.1° | 120.0° |
| N3 | C19 | C20 | H21 | 120.8° | 120.0° |
| N3 | C19 | C21 | H21 | 119.8° | 120.0° |
| N3 | C19 | C20 | O5 | 32.8° | 0.0° |
| N3 | C19 | C21 | C22 | 64.0° | 65.0° |
| N3 | C19 | C21 | H22 | 56.1° | 55.0° |
| N3 | C19 | C21 | H23 | 175.9° | 175.0° |
| N3 | C19 | C20 | N4 | 151.1° | 180.0° |
| H20 | N3 | C19 | C20 | 79.4° | 25.0° |
| H20 | N3 | C19 | C21 | 41.3° | 95.0° |
| H20 | N3 | C19 | H21 | 160.4° | 145.0° |
| C20 | C19 | C21 | H21 | 118.2° | 120.0° |
| C19 | C20 | O5 | N4 | 175.7° | 180.0° |
| C20 | C19 | C21 | C22 | 173.9° | 175.0° |
| C20 | C19 | C21 | H22 | 66.0° | 65.0° |
| C20 | C19 | C21 | H23 | 53.9° | 55.0° |
| C19 | C20 | N4 | C28 | 174.8° | 180.0° |
| C19 | C20 | N4 | H29 | 5.2° | 0.0° |
| C20 | C19 | N3 | C11 | 100.6° | 155.0° |
| C21 | C19 | C20 | O5 | 88.3° | 120.0° |
| C19 | C21 | C22 | H22 | 120.1° | 120.0° |
| C19 | C21 | C22 | H23 | 120.1° | 120.0° |
| C19 | C21 | H22 | H23 | 119.8° | 120.0° |
| C19 | C21 | C22 | C23 | 92.7° | 90.0° |
| C19 | C21 | C22 | C24 | 86.2° | 90.3° |
| C21 | C19 | N3 | C11 | 138.7° | 85.0° |
| C21 | C19 | C20 | N4 | 87.8° | 60.0° |
| H21 | C19 | C20 | O5 | 153.6° | 120.0° |
| H21 | C19 | C21 | C22 | 55.8° | 55.0° |
| H21 | C19 | C21 | H22 | 175.9° | 175.0° |
| H21 | C19 | C21 | H23 | 64.3° | 65.0° |
| H21 | C19 | N3 | C11 | 19.6° | 35.0° |
| H21 | C19 | C20 | N4 | 30.3° | 60.0° |
| O5 | C20 | N4 | C28 | 1.4° | 0.0° |
| O5 | C20 | N4 | H29 | 178.6° | 180.0° |
| C22 | C21 | H22 | H23 | 119.8° | 120.0° |
| C21 | C22 | C23 | C24 | 178.9° | 179.7° |
| C21 | C22 | C23 | C25 | 179.8° | 180.0° |
| C21 | C22 | C23 | H24 | 0.2° | 0.1° |
| C21 | C22 | C24 | C26 | 179.6° | 179.9° |
| C21 | C22 | C24 | H25 | 0.4° | 0.0° |
| H22 | C21 | C22 | C23 | 27.4° | 30.0° |
| H22 | C21 | C22 | C24 | 153.7° | 149.7° |
| H23 | C21 | C22 | C23 | 147.2° | 150.0° |
| H23 | C21 | C22 | C24 | 33.9° | 29.7° |
| C22 | C23 | C25 | H24 | 180.0° | 179.9° |
| C23 | C22 | C24 | C26 | 0.6° | 0.2° |
| C23 | C22 | C24 | H25 | 179.3° | 179.7° |
| C22 | C23 | C25 | C27 | 0.6° | 0.0° |
| C22 | C23 | C25 | H26 | 179.4° | 179.9° |
| C24 | C22 | C23 | C25 | 1.0° | 0.3° |
| C24 | C22 | C23 | H24 | 179.1° | 179.8° |
| C22 | C24 | C26 | H25 | 180.0° | 180.0° |
| C22 | C24 | C26 | C27 | 0.0° | 0.1° |
| C22 | C24 | C26 | H27 | 180.0° | 180.0° |
| C23 | C25 | C27 | H26 | 180.0° | 180.0° |
| C23 | C25 | C27 | C26 | 0.1° | 0.3° |
| C23 | C25 | C27 | O6 | 179.2° | 180.0° |
| H24 | C23 | C25 | C27 | 179.4° | 180.0° |
| H24 | C23 | C25 | H26 | 0.6° | 0.0° |
| C24 | C26 | C27 | C25 | 0.4° | 0.3° |
| C24 | C26 | C27 | H27 | 180.0° | 180.0° |
| C24 | C26 | C27 | O6 | 179.6° | 179.9° |
| H25 | C24 | C26 | C27 | 180.0° | 180.0° |
| H25 | C24 | C26 | H27 | 0.0° | 0.0° |
| C25 | C27 | C26 | O6 | 179.2° | 179.7° |
| C25 | C27 | C26 | H27 | 179.6° | 179.7° |
| C25 | C27 | O6 | H28 | 180.0° | 90.0° |
| H26 | C25 | C27 | C26 | 179.9° | 179.7° |
| H26 | C25 | C27 | O6 | 0.8° | 0.0° |
| C26 | C27 | O6 | H28 | 0.8° | 89.7° |
| H27 | C26 | C27 | O6 | 0.4° | 0.1° |
| C28 | N4 | H29 | C20 | 180.0° | 179.9° |
| N4 | C28 | C29 | C30 | 121.3° | 120.1° |
| N4 | C28 | C29 | H30 | 120.7° | 120.0° |
| N4 | C28 | C30 | H30 | 120.7° | 120.0° |
| N4 | C28 | C29 | O7 | 50.6° | 0.0° |
| N4 | C28 | C30 | C31 | 175.1° | 65.0° |
| N4 | C28 | C30 | H31 | 55.0° | 175.0° |
| N4 | C28 | C30 | H32 | 64.7° | 55.0° |
| N4 | C28 | C29 | N5 | 128.6° | 180.0° |
| H29 | N4 | C28 | C29 | 31.1° | 25.0° |
| H29 | N4 | C28 | C30 | 88.5° | 95.0° |
| H29 | N4 | C28 | H30 | 151.3° | 145.0° |
| C29 | C28 | C30 | H30 | 118.1° | 120.0° |
| C28 | C29 | O7 | N5 | 179.2° | 180.0° |
| C29 | C28 | C30 | C31 | 54.0° | 175.0° |
| C29 | C28 | C30 | H31 | 66.2° | 55.0° |
| C29 | C28 | C30 | H32 | 174.2° | 65.0° |
| C28 | C29 | N5 | C37 | 174.8° | 180.0° |
| C28 | C29 | N5 | H38 | 5.2° | 0.0° |
| C29 | C28 | N4 | C20 | 148.9° | 155.0° |
| C30 | C28 | C29 | O7 | 70.7° | 120.0° |
| C28 | C30 | C31 | H31 | 120.2° | 120.0° |
| C28 | C30 | C31 | H32 | 120.2° | 120.0° |
| C28 | C30 | H31 | H32 | 119.4° | 120.0° |
| C28 | C30 | C31 | C32 | 68.1° | 90.0° |
| C28 | C30 | C31 | C33 | 113.3° | 90.3° |
| C30 | C28 | N4 | C20 | 91.5° | 85.0° |
| C30 | C28 | C29 | N5 | 110.0° | 60.0° |
| H30 | C28 | C29 | O7 | 171.3° | 120.0° |
| H30 | C28 | C30 | C31 | 64.1° | 55.0° |
| H30 | C28 | C30 | H31 | 175.7° | 65.0° |
| H30 | C28 | C30 | H32 | 56.1° | 175.0° |
| H30 | C28 | N4 | C20 | 28.7° | 35.0° |
| H30 | C28 | C29 | N5 | 7.9° | 60.0° |
| O7 | C29 | N5 | C37 | 6.0° | 0.0° |
| O7 | C29 | N5 | H38 | 174.0° | 180.0° |
| C31 | C30 | H31 | H32 | 119.4° | 120.0° |
| C30 | C31 | C32 | C33 | 178.5° | 179.6° |
| C30 | C31 | C32 | C34 | 179.5° | 180.0° |
| C30 | C31 | C32 | H33 | 0.5° | 0.1° |
| C30 | C31 | C33 | C35 | 179.5° | 180.0° |
| C30 | C31 | C33 | H34 | 0.5° | 0.1° |
| H31 | C30 | C31 | C32 | 171.7° | 30.0° |
| H31 | C30 | C31 | C33 | 6.9° | 149.7° |
| H32 | C30 | C31 | C32 | 52.1° | 150.0° |
| H32 | C30 | C31 | C33 | 126.5° | 29.7° |
| C31 | C32 | C34 | H33 | 180.0° | 180.0° |
| C32 | C31 | C33 | C35 | 0.9° | 0.3° |
| C32 | C31 | C33 | H34 | 179.0° | 179.7° |
| C31 | C32 | C34 | C36 | 0.7° | 0.0° |
| C31 | C32 | C34 | H35 | 179.3° | 180.0° |
| C33 | C31 | C32 | C34 | 0.9° | 0.3° |
| C33 | C31 | C32 | H33 | 179.1° | 179.7° |
| C31 | C33 | C35 | H34 | 180.0° | 180.0° |
| C31 | C33 | C35 | C36 | 0.7° | 0.0° |
| C31 | C33 | C35 | H36 | 179.3° | 180.0° |
| C32 | C34 | C36 | H35 | 180.0° | 179.9° |
| C32 | C34 | C36 | C35 | 0.5° | 0.3° |
| C32 | C34 | C36 | O8 | 179.2° | 180.0° |
| H33 | C32 | C34 | C36 | 179.3° | 180.0° |
| H33 | C32 | C34 | H35 | 0.7° | 0.0° |
| C33 | C35 | C36 | C34 | 0.5° | 0.4° |
| C33 | C35 | C36 | H36 | 180.0° | 179.9° |
| C33 | C35 | C36 | O8 | 179.2° | 180.0° |
| H34 | C33 | C35 | C36 | 179.3° | 179.9° |
| H34 | C33 | C35 | H36 | 0.8° | 0.0° |
| C34 | C36 | C35 | O8 | 178.7° | 179.7° |
| C34 | C36 | C35 | H36 | 179.5° | 179.7° |
| C34 | C36 | O8 | H37 | 180.0° | 90.0° |
| H35 | C34 | C36 | C35 | 179.5° | 179.7° |
| H35 | C34 | C36 | O8 | 0.8° | 0.0° |
| C35 | C36 | O8 | H37 | 1.2° | 89.7° |
| H36 | C35 | C36 | O8 | 0.8° | 0.0° |
| C37 | N5 | H38 | C29 | 180.0° | 180.0° |
| N5 | C37 | C38 | C39 | 118.2° | 120.0° |
| N5 | C37 | C38 | H39 | 120.9° | 120.0° |
| N5 | C37 | C39 | H39 | 119.6° | 120.0° |
| N5 | C37 | C38 | O9 | 43.9° | 0.0° |
| N5 | C37 | C39 | C40 | 172.0° | 65.0° |
| N5 | C37 | C39 | H40 | 67.5° | 55.0° |
| N5 | C37 | C39 | H41 | 51.6° | 175.0° |
| N5 | C37 | C38 | N6 | 139.1° | 180.0° |
| H38 | N5 | C37 | C38 | 67.6° | 25.0° |
| H38 | N5 | C37 | C39 | 53.1° | 95.0° |
| H38 | N5 | C37 | H39 | 171.9° | 144.9° |
| C38 | C37 | C39 | H39 | 121.1° | 120.0° |
| C37 | C38 | O9 | N6 | 176.9° | 180.0° |
| C38 | C37 | C39 | C40 | 52.7° | 175.0° |
| C38 | C37 | C39 | H40 | 173.1° | 65.0° |
| C38 | C37 | C39 | H41 | 67.8° | 55.0° |
| C37 | C38 | N6 | C46 | 176.2° | 180.0° |
| C37 | C38 | N6 | H47 | 3.8° | 0.0° |
| C38 | C37 | N5 | C29 | 112.4° | 155.0° |
| C39 | C37 | C38 | O9 | 74.4° | 120.0° |
| C37 | C39 | C40 | H40 | 120.5° | 120.0° |
| C37 | C39 | C40 | H41 | 120.5° | 120.0° |
| C37 | C39 | H40 | H41 | 118.6° | 120.0° |
| C37 | C39 | C40 | C41 | 70.3° | 90.0° |
| C37 | C39 | C40 | C42 | 109.6° | 90.3° |
| C39 | C37 | N5 | C29 | 126.9° | 85.0° |
| C39 | C37 | C38 | N6 | 102.7° | 60.0° |
| H39 | C37 | C38 | O9 | 164.8° | 120.0° |
| H39 | C37 | C39 | C40 | 68.4° | 55.0° |
| H39 | C37 | C39 | H40 | 52.0° | 175.0° |
| H39 | C37 | C39 | H41 | 171.1° | 65.0° |
| H39 | C37 | N5 | C29 | 8.1° | 35.0° |
| H39 | C37 | C38 | N6 | 18.1° | 60.0° |
| O9 | C38 | N6 | C46 | 0.8° | 0.0° |
| O9 | C38 | N6 | H47 | 179.1° | 180.0° |
| C40 | C39 | H40 | H41 | 118.6° | 120.1° |
| C39 | C40 | C41 | C42 | 180.0° | 179.6° |
| C39 | C40 | C41 | C43 | 179.7° | 180.0° |
| C39 | C40 | C41 | H42 | 0.3° | 0.1° |
| C39 | C40 | C42 | C44 | 179.8° | 180.0° |
| C39 | C40 | C42 | H43 | 0.2° | 0.1° |
| H40 | C39 | C40 | C41 | 50.1° | 30.0° |
| H40 | C39 | C40 | C42 | 129.9° | 149.7° |
| H41 | C39 | C40 | C41 | 169.2° | 150.0° |
| H41 | C39 | C40 | C42 | 10.8° | 29.6° |
| C40 | C41 | C43 | H42 | 180.0° | 179.9° |
| C41 | C40 | C42 | C44 | 0.2° | 0.3° |
| C41 | C40 | C42 | H43 | 179.8° | 179.7° |
| C40 | C41 | C43 | C45 | 1.3° | 0.0° |
| C40 | C41 | C43 | H44 | 178.7° | 179.9° |
| C42 | C40 | C41 | C43 | 0.4° | 0.3° |
| C42 | C40 | C41 | H42 | 179.7° | 179.7° |
| C40 | C42 | C44 | H43 | 180.0° | 179.9° |
| C40 | C42 | C44 | C45 | 0.2° | 0.0° |
| C40 | C42 | C44 | H45 | 179.8° | 180.0° |
| C41 | C43 | C45 | H44 | 180.0° | 179.9° |
| C41 | C43 | C45 | C44 | 1.7° | 0.3° |
| C41 | C43 | C45 | O10 | 179.9° | 179.9° |
| H42 | C41 | C43 | C45 | 178.7° | 180.0° |
| H42 | C41 | C43 | H44 | 1.3° | 0.0° |
| C42 | C44 | C45 | C43 | 1.2° | 0.3° |
| C42 | C44 | C45 | H45 | 180.0° | 180.0° |
| C42 | C44 | C45 | O10 | 179.5° | 179.9° |
| H43 | C42 | C44 | C45 | 179.8° | 179.9° |
| H43 | C42 | C44 | H45 | 0.2° | 0.1° |
| C43 | C45 | C44 | O10 | 178.4° | 179.8° |
| C43 | C45 | C44 | H45 | 178.8° | 179.7° |
| C43 | C45 | O10 | H46 | 180.0° | 90.0° |
| H44 | C43 | C45 | C44 | 178.3° | 179.8° |
| H44 | C43 | C45 | O10 | 0.1° | 0.0° |
| C44 | C45 | O10 | H46 | 1.6° | 89.8° |
| H45 | C44 | C45 | O10 | 0.5° | 0.1° |
| C46 | N6 | H47 | C38 | 180.0° | 179.9° |
| N6 | C46 | C47 | C48 | 120.7° | 120.0° |
| N6 | C46 | C47 | H48 | 119.1° | 119.9° |
| N6 | C46 | C48 | H48 | 120.8° | 119.9° |
| N6 | C46 | C47 | O11 | 110.4° | 0.1° |
| N6 | C46 | C48 | C49 | 156.2° | 64.9° |
| N6 | C46 | C48 | H49 | 82.9° | 175.0° |
| N6 | C46 | C48 | H50 | 35.4° | 55.0° |
| N6 | C46 | C47 | N7 | 72.7° | 180.0° |
| H47 | N6 | C46 | C47 | 28.3° | 25.1° |
| H47 | N6 | C46 | C48 | 92.8° | 95.0° |
| H47 | N6 | C46 | H48 | 146.9° | 145.0° |
| C47 | C46 | C48 | H48 | 120.2° | 120.0° |
| C46 | C47 | O11 | N7 | 176.6° | 179.9° |
| C47 | C46 | C48 | C49 | 84.7° | 175.0° |
| C47 | C46 | C48 | H49 | 36.2° | 55.0° |
| C47 | C46 | C48 | H50 | 154.5° | 65.0° |
| C46 | C47 | N7 | C55 | 177.4° | 179.9° |
| C46 | C47 | N7 | H56 | 2.6° | 0.0° |
| C47 | C46 | N6 | C38 | 151.7° | 155.0° |
| C48 | C46 | C47 | O11 | 10.4° | 120.0° |
| C46 | C48 | C49 | H49 | 120.8° | 120.0° |
| C46 | C48 | C49 | H50 | 120.9° | 120.0° |
| C46 | C48 | H49 | H50 | 117.3° | 120.0° |
| C46 | C48 | C49 | C50 | 139.6° | 90.1° |
| C46 | C48 | C49 | C51 | 39.9° | 90.3° |
| C48 | C46 | N6 | C38 | 87.2° | 84.9° |
| C48 | C46 | C47 | N7 | 166.5° | 60.0° |
| H48 | C46 | C47 | O11 | 130.5° | 120.0° |
| H48 | C46 | C48 | C49 | 35.5° | 55.0° |
| H48 | C46 | C48 | H49 | 156.3° | 65.1° |
| H48 | C46 | C48 | H50 | 85.4° | 175.0° |
| H48 | C46 | N6 | C38 | 33.1° | 35.0° |
| H48 | C46 | C47 | N7 | 46.4° | 60.1° |
| O11 | C47 | N7 | C55 | 0.7° | 0.0° |
| O11 | C47 | N7 | H56 | 179.3° | 179.9° |
| C49 | C48 | H49 | H50 | 117.3° | 120.0° |
| C48 | C49 | C50 | C51 | 179.5° | 179.6° |
| C48 | C49 | C50 | C52 | 179.8° | 180.0° |
| C48 | C49 | C50 | H51 | 0.2° | 0.1° |
| C48 | C49 | C51 | C53 | 179.9° | 180.0° |
| C48 | C49 | C51 | H52 | 0.1° | 0.1° |
| H49 | C48 | C49 | C50 | 99.6° | 30.0° |
| H49 | C48 | C49 | C51 | 80.9° | 149.7° |
| H50 | C48 | C49 | C50 | 18.7° | 150.0° |
| H50 | C48 | C49 | C51 | 160.8° | 29.7° |
| C49 | C50 | C52 | H51 | 180.0° | 180.0° |
| C50 | C49 | C51 | C53 | 0.6° | 0.3° |
| C50 | C49 | C51 | H52 | 179.4° | 179.7° |
| C49 | C50 | C52 | C54 | 0.1° | 0.0° |
| C49 | C50 | C52 | H53 | 179.9° | 179.9° |
| C51 | C49 | C50 | C52 | 0.3° | 0.3° |
| C51 | C49 | C50 | H51 | 179.8° | 179.7° |
| C49 | C51 | C53 | H52 | 180.0° | 180.0° |
| C49 | C51 | C53 | C54 | 0.6° | 0.0° |
| C49 | C51 | C53 | H54 | 179.4° | 179.9° |
| C50 | C52 | C54 | H53 | 180.0° | 180.0° |
| C50 | C52 | C54 | C53 | 0.2° | 0.3° |
| C50 | C52 | C54 | O12 | 179.8° | 180.0° |
| H51 | C50 | C52 | C54 | 179.9° | 180.0° |
| H51 | C50 | C52 | H53 | 0.0° | 0.0° |
| C51 | C53 | C54 | C52 | 0.4° | 0.3° |
| C51 | C53 | C54 | H54 | 180.0° | 179.9° |
| C51 | C53 | C54 | O12 | 179.6° | 180.0° |
| H52 | C51 | C53 | C54 | 179.4° | 180.0° |
| H52 | C51 | C53 | H54 | 0.6° | 0.1° |
| C52 | C54 | C53 | O12 | 180.0° | 179.7° |
| C52 | C54 | C53 | H54 | 179.6° | 179.6° |
| C52 | C54 | O12 | H55 | 180.0° | 90.0° |
| H53 | C52 | C54 | C53 | 179.9° | 179.8° |
| H53 | C52 | C54 | O12 | 0.1° | 0.0° |
| C53 | C54 | O12 | H55 | 0.0° | 89.7° |
| H54 | C53 | C54 | O12 | 0.4° | 0.1° |
| C55 | N7 | H56 | C47 | 180.0° | 179.9° |
| N7 | C55 | C56 | C57 | 121.8° | 120.0° |
| N7 | C55 | C56 | H57 | 121.0° | 120.0° |
| N7 | C55 | C57 | H57 | 121.2° | 120.0° |
| N7 | C55 | C56 | O13 | 39.8° | 0.0° |
| N7 | C55 | C57 | C58 | 59.9° | 65.0° |
| N7 | C55 | C57 | H58 | 60.0° | 54.9° |
| N7 | C55 | C57 | H59 | 179.8° | 175.0° |
| N7 | C55 | C56 | N8 | 142.4° | 180.0° |
| H56 | N7 | C55 | C56 | 65.5° | 25.1° |
| H56 | N7 | C55 | C57 | 53.6° | 94.9° |
| H56 | N7 | C55 | H57 | 174.0° | 145.1° |
| C56 | C55 | C57 | H57 | 117.5° | 120.0° |
| C55 | C56 | O13 | N8 | 177.5° | 180.0° |
| C56 | C55 | C57 | C58 | 178.8° | 175.0° |
| C56 | C55 | C57 | H58 | 61.3° | 65.0° |
| C56 | C55 | C57 | H59 | 58.9° | 55.1° |
| C55 | C56 | N8 | C64 | 171.8° | 180.0° |
| C55 | C56 | N8 | H65 | 8.2° | 0.1° |
| C56 | C55 | N7 | C47 | 114.5° | 155.0° |
| C57 | C55 | C56 | O13 | 82.0° | 120.0° |
| C55 | C57 | C58 | H58 | 119.9° | 120.0° |
| C55 | C57 | C58 | H59 | 119.9° | 120.0° |
| C55 | C57 | H58 | H59 | 120.3° | 120.1° |
| C55 | C57 | C58 | C59 | 74.6° | 90.0° |
| C55 | C57 | C58 | C60 | 104.8° | 90.3° |
| C57 | C55 | N7 | C47 | 126.4° | 85.0° |
| C57 | C55 | C56 | N8 | 95.8° | 60.0° |
| H57 | C55 | C56 | O13 | 160.9° | 120.0° |
| H57 | C55 | C57 | C58 | 61.3° | 55.0° |
| H57 | C55 | C57 | H58 | 178.8° | 174.9° |
| H57 | C55 | C57 | H59 | 58.6° | 65.0° |
| H57 | C55 | N7 | C47 | 6.0° | 35.0° |
| H57 | C55 | C56 | N8 | 21.4° | 60.0° |
| O13 | C56 | N8 | C64 | 5.8° | 0.1° |
| O13 | C56 | N8 | H65 | 174.2° | 180.0° |
| C58 | C57 | H58 | H59 | 120.3° | 120.0° |
| C57 | C58 | C59 | C60 | 179.5° | 179.7° |
| C57 | C58 | C59 | C61 | 179.7° | 180.0° |
| C57 | C58 | C59 | H60 | 0.2° | 0.0° |
| C57 | C58 | C60 | C62 | 179.3° | 179.9° |
| C57 | C58 | C60 | H61 | 0.7° | 0.0° |
| H58 | C57 | C58 | C59 | 165.4° | 30.0° |
| H58 | C57 | C58 | C60 | 15.1° | 149.8° |
| H59 | C57 | C58 | C59 | 45.3° | 150.0° |
| H59 | C57 | C58 | C60 | 135.2° | 29.7° |
| C58 | C59 | C61 | H60 | 180.0° | 180.0° |
| C59 | C58 | C60 | C62 | 0.2° | 0.2° |
| C59 | C58 | C60 | H61 | 179.9° | 179.7° |
| C58 | C59 | C61 | C63 | 0.6° | 0.0° |
| C58 | C59 | C61 | H62 | 179.4° | 179.9° |
| C60 | C58 | C59 | C61 | 0.3° | 0.3° |
| C60 | C58 | C59 | H60 | 179.7° | 179.8° |
| C58 | C60 | C62 | H61 | 180.0° | 179.9° |
| C58 | C60 | C62 | C63 | 0.3° | 0.1° |
| C58 | C60 | C62 | H63 | 179.7° | 179.9° |
| C59 | C61 | C63 | H62 | 180.0° | 180.0° |
| C59 | C61 | C63 | C62 | 0.5° | 0.3° |
| C59 | C61 | C63 | O14 | 180.0° | 180.0° |
| H60 | C59 | C61 | C63 | 179.4° | 180.0° |
| H60 | C59 | C61 | H62 | 0.6° | 0.0° |
| C60 | C62 | C63 | C61 | 0.0° | 0.3° |
| C60 | C62 | C63 | H63 | 180.0° | 180.0° |
| C60 | C62 | C63 | O14 | 179.5° | 179.9° |
| H61 | C60 | C62 | C63 | 179.7° | 180.0° |
| H61 | C60 | C62 | H63 | 0.3° | 0.0° |
| C61 | C63 | C62 | O14 | 179.5° | 179.8° |
| C61 | C63 | C62 | H63 | 180.0° | 179.7° |
| C61 | C63 | O14 | H64 | 180.0° | 90.0° |
| H62 | C61 | C63 | C62 | 179.5° | 179.8° |
| H62 | C61 | C63 | O14 | 0.0° | 0.0° |
| C62 | C63 | O14 | H64 | 0.4° | 89.8° |
| H63 | C62 | C63 | O14 | 0.5° | 0.1° |
| C64 | N8 | H65 | C56 | 180.0° | 179.9° |
| N8 | C64 | C65 | C66 | 120.0° | 120.0° |
| N8 | C64 | C65 | H66 | 119.9° | 120.0° |
| N8 | C64 | C66 | H66 | 120.6° | 120.0° |
| N8 | C64 | C65 | O15 | 67.0° | 0.0° |
| N8 | C64 | C66 | C67 | 175.8° | 65.0° |
| N8 | C64 | C66 | H67 | 64.2° | 175.0° |
| N8 | C64 | C66 | H68 | 55.8° | 54.9° |
| N8 | C64 | C65 | N9 | 112.4° | 180.0° |
| H65 | N8 | C64 | C65 | 32.3° | 25.0° |
| H65 | N8 | C64 | C66 | 88.3° | 95.1° |
| H65 | N8 | C64 | H66 | 151.7° | 145.0° |
| C65 | C64 | C66 | H66 | 120.3° | 120.0° |
| C64 | C65 | O15 | N9 | 179.3° | 180.0° |
| C65 | C64 | C66 | C67 | 65.0° | 175.0° |
| C65 | C64 | C66 | H67 | 55.0° | 55.0° |
| C65 | C64 | C66 | H68 | 174.9° | 65.1° |
| C64 | C65 | N9 | C73 | 179.0° | 180.0° |
| C64 | C65 | N9 | H74 | 1.0° | 0.1° |
| C65 | C64 | N8 | C56 | 147.7° | 155.0° |
| C66 | C64 | C65 | O15 | 53.0° | 120.0° |
| C64 | C66 | C67 | H67 | 120.0° | 120.0° |
| C64 | C66 | C67 | H68 | 120.1° | 120.0° |
| C64 | C66 | H67 | H68 | 119.8° | 120.0° |
| C64 | C66 | C67 | C68 | 101.0° | 90.1° |
| C64 | C66 | C67 | C69 | 78.7° | 90.3° |
| C66 | C64 | N8 | C56 | 91.7° | 85.0° |
| C66 | C64 | C65 | N9 | 127.6° | 60.0° |
| H66 | C64 | C65 | O15 | 173.1° | 120.0° |
| H66 | C64 | C66 | C67 | 55.2° | 55.0° |
| H66 | C64 | C66 | H67 | 175.3° | 65.0° |
| H66 | C64 | C66 | H68 | 64.8° | 175.0° |
| H66 | C64 | N8 | C56 | 28.3° | 35.0° |
| H66 | C64 | C65 | N9 | 7.5° | 60.0° |
| O15 | C65 | N9 | C73 | 1.6° | 0.1° |
| O15 | C65 | N9 | H74 | 178.4° | 179.9° |
| C67 | C66 | H67 | H68 | 119.8° | 120.0° |
| C66 | C67 | C68 | C69 | 179.7° | 179.7° |
| C66 | C67 | C68 | C70 | 179.9° | 180.0° |
| C66 | C67 | C68 | H69 | 0.1° | 0.1° |
| C66 | C67 | C69 | C71 | 179.9° | 180.0° |
| C66 | C67 | C69 | H70 | 0.1° | 0.0° |
| H67 | C66 | C67 | C68 | 19.0° | 30.0° |
| H67 | C66 | C67 | C69 | 161.3° | 149.7° |
| H68 | C66 | C67 | C68 | 138.9° | 150.0° |
| H68 | C66 | C67 | C69 | 41.4° | 29.7° |
| C67 | C68 | C70 | H69 | 180.0° | 179.9° |
| C68 | C67 | C69 | C71 | 0.2° | 0.3° |
| C68 | C67 | C69 | H70 | 179.8° | 179.7° |
| C67 | C68 | C70 | C72 | 0.3° | 0.0° |
| C67 | C68 | C70 | H71 | 179.7° | 180.0° |
| C69 | C67 | C68 | C70 | 0.2° | 0.3° |
| C69 | C67 | C68 | H69 | 179.8° | 179.8° |
| C67 | C69 | C71 | H70 | 180.0° | 180.0° |
| C67 | C69 | C71 | C72 | 0.2° | 0.0° |
| C67 | C69 | C71 | H72 | 179.9° | 180.0° |
| C68 | C70 | C72 | H71 | 180.0° | 180.0° |
| C68 | C70 | C72 | C71 | 0.3° | 0.3° |
| C68 | C70 | C72 | O16 | 179.9° | 180.0° |
| H69 | C68 | C70 | C72 | 179.7° | 179.9° |
| H69 | C68 | C70 | H71 | 0.3° | 0.0° |
| C69 | C71 | C72 | C70 | 0.2° | 0.3° |
| C69 | C71 | C72 | H72 | 180.0° | 180.0° |
| C69 | C71 | C72 | O16 | 179.8° | 179.9° |
| H70 | C69 | C71 | C72 | 179.8° | 180.0° |
| H70 | C69 | C71 | H72 | 0.1° | 0.0° |
| C70 | C72 | C71 | O16 | 179.6° | 179.7° |
| C70 | C72 | C71 | H72 | 179.8° | 179.7° |
| C70 | C72 | O16 | H73 | 180.0° | 90.0° |
| H71 | C70 | C72 | C71 | 179.7° | 179.7° |
| H71 | C70 | C72 | O16 | 0.1° | 0.0° |
| C71 | C72 | O16 | H73 | 0.4° | 89.7° |
| H72 | C71 | C72 | O16 | 0.2° | 0.0° |
| C73 | N9 | H74 | C65 | 180.0° | 179.9° |
| N9 | C73 | C74 | C75 | 119.9° | 119.9° |
| N9 | C73 | C74 | H75 | 120.5° | 120.1° |
| N9 | C73 | C75 | H75 | 118.8° | 120.1° |
| N9 | C73 | C74 | O17 | 6.0° | 0.0° |
| N9 | C73 | C74 | O18 | 174.5° | 180.0° |
| N9 | C73 | C75 | C76 | 67.7° | 65.1° |
| N9 | C73 | C75 | H76 | 171.8° | 55.0° |
| N9 | C73 | C75 | H77 | 52.9° | 175.0° |
| H74 | N9 | C73 | C74 | 24.3° | 95.0° |
| H74 | N9 | C73 | C75 | 97.1° | 24.9° |
| H74 | N9 | C73 | H75 | 144.6° | 144.9° |
| C74 | C73 | C75 | H75 | 119.8° | 120.0° |
| C73 | C74 | O17 | O18 | 179.4° | 180.0° |
| C74 | C73 | C75 | C76 | 53.7° | 175.0° |
| C74 | C73 | C75 | H76 | 66.9° | 65.0° |
| C74 | C73 | C75 | H77 | 174.2° | 55.0° |
| C73 | C74 | O18 | H87 | 179.4° | 179.9° |
| C74 | C73 | N9 | C65 | 155.7° | 85.1° |
| C75 | C73 | C74 | O17 | 113.9° | 120.0° |
| C75 | C73 | C74 | O18 | 65.5° | 60.0° |
| C73 | C75 | C76 | H76 | 120.6° | 120.1° |
| C73 | C75 | C76 | H77 | 120.6° | 120.0° |
| C73 | C75 | H76 | H77 | 118.3° | 120.0° |
| C73 | C75 | C76 | C77 | 179.1° | 180.0° |
| C73 | C75 | C76 | H78 | 59.1° | 59.9° |
| C73 | C75 | C76 | H79 | 60.8° | 60.0° |
| C75 | C73 | N9 | C65 | 82.9° | 155.0° |
| H75 | C73 | C74 | O17 | 126.5° | 120.0° |
| H75 | C73 | C74 | O18 | 54.0° | 60.0° |
| H75 | C73 | C75 | C76 | 173.5° | 55.0° |
| H75 | C73 | C75 | H76 | 52.9° | 175.1° |
| H75 | C73 | C75 | H77 | 66.0° | 64.9° |
| H75 | C73 | N9 | C65 | 35.4° | 35.0° |
| O17 | C74 | O18 | H87 | 0.0° | 0.1° |
| C76 | C75 | H76 | H77 | 118.3° | 120.0° |
| C75 | C76 | C77 | H78 | 120.0° | 120.1° |
| C75 | C76 | C77 | H79 | 120.0° | 119.9° |
| C75 | C76 | H78 | H79 | 119.9° | 120.0° |
| C75 | C76 | C77 | C78 | 179.1° | 180.0° |
| C75 | C76 | C77 | H80 | 60.4° | 59.9° |
| C75 | C76 | C77 | H81 | 58.7° | 60.0° |
| H76 | C75 | C76 | C77 | 60.3° | 59.9° |
| H76 | C75 | C76 | H78 | 179.7° | NaN° |
| H76 | C75 | C76 | H79 | 59.7° | 60.0° |
| H77 | C75 | C76 | C77 | 58.6° | 60.1° |
| H77 | C75 | C76 | H78 | 61.5° | 60.0° |
| H77 | C75 | C76 | H79 | 178.6° | 180.0° |
| C77 | C76 | H78 | H79 | 120.0° | 120.0° |
| C76 | C77 | C78 | H80 | 120.4° | 120.0° |
| C76 | C77 | C78 | H81 | 120.5° | 119.9° |
| C76 | C77 | H80 | H81 | 118.6° | 119.9° |
| C76 | C77 | C78 | N10 | 66.7° | 180.0° |
| C76 | C77 | C78 | H82 | 173.2° | 60.0° |
| C76 | C77 | C78 | H83 | 53.5° | 60.1° |
| H78 | C76 | C77 | C78 | 59.1° | 59.9° |
| H78 | C76 | C77 | H80 | 179.6° | 180.0° |
| H78 | C76 | C77 | H81 | 61.3° | 60.0° |
| H79 | C76 | C77 | C78 | 60.8° | 60.1° |
| H79 | C76 | C77 | H80 | 59.6° | 60.0° |
| H79 | C76 | C77 | H81 | 178.7° | 180.0° |
| C78 | C77 | H80 | H81 | 118.6° | 120.1° |
| C77 | C78 | N10 | H82 | 120.1° | 120.1° |
| C77 | C78 | N10 | H83 | 120.2° | 120.0° |
| C77 | C78 | H82 | H83 | 119.6° | 120.1° |
| C77 | C78 | N10 | H84 | 180.0° | 180.0° |
| C77 | C78 | N10 | H85 | 60.0° | 60.0° |
| C77 | C78 | N10 | H86 | 60.0° | 60.0° |
| H80 | C77 | C78 | N10 | 53.7° | 60.0° |
| H80 | C77 | C78 | H82 | 66.4° | 180.0° |
| H80 | C77 | C78 | H83 | 173.9° | 59.9° |
| H81 | C77 | C78 | N10 | 172.8° | 60.1° |
| H81 | C77 | C78 | H82 | 52.7° | 59.9° |
| H81 | C77 | C78 | H83 | 67.0° | 180.0° |
| N10 | C78 | H82 | H83 | 119.6° | 119.9° |
| C78 | N10 | H84 | H85 | 120.0° | 120.0° |
| C78 | N10 | H84 | H86 | 120.0° | 120.0° |
| C78 | N10 | H85 | H86 | 120.0° | 120.0° |
| H82 | C78 | N10 | H84 | 59.8° | 60.0° |
| H82 | C78 | N10 | H85 | 179.9° | 180.0° |
| H82 | C78 | N10 | H86 | 60.2° | 60.1° |
| H83 | C78 | N10 | H84 | 59.9° | 60.0° |
| H83 | C78 | N10 | H85 | 60.2° | 60.0° |
| H83 | C78 | N10 | H86 | 179.9° | 180.0° |
| H84 | N10 | H85 | H86 | 120.0° | 120.0° |
