PRD_002290
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.47Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.50Å | 1.54Å | |
| C1 | C3 | sing | 1.53Å | 1.54Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C7 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C8 | doub | 1.38Å | 1.42Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | O2 | doub | 1.22Å | 1.22Å | |
| C10 | C11 | sing | 1.47Å | 1.51Å | |
| C11 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
| C11 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C12 | N2 | sing | 1.40Å | 1.45Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| N3 | C17 | sing | 1.47Å | 1.46Å | |
| N3 | H15 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.54Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | O3 | doub | 1.21Å | 1.22Å | |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | C23 | sing | 1.38Å | 1.42Å | Aromatic |
| C21 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | C24 | doub | 1.38Å | 1.42Å | Aromatic |
| C22 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | C25 | doub | 1.38Å | 1.41Å | Aromatic |
| C23 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.08Å | 1.08Å | |
| N4 | C26 | sing | 1.48Å | 1.49Å | |
| N4 | H24 | sing | 0.97Å | 1.00Å | |
| C26 | C27 | sing | 1.51Å | 1.53Å | |
| C26 | C28 | sing | 1.53Å | 1.55Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | O4 | doub | 1.21Å | 1.23Å | |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | doub | 1.38Å | 1.41Å | Aromatic |
| C29 | C31 | sing | 1.38Å | 1.41Å | Aromatic |
| C30 | C32 | sing | 1.38Å | 1.42Å | Aromatic |
| C30 | H28 | sing | 1.08Å | 1.08Å | |
| C31 | C33 | doub | 1.38Å | 1.42Å | Aromatic |
| C31 | H29 | sing | 1.08Å | 1.08Å | |
| C32 | C34 | doub | 1.38Å | 1.41Å | Aromatic |
| C32 | H30 | sing | 1.08Å | 1.08Å | |
| C33 | C34 | sing | 1.38Å | 1.41Å | Aromatic |
| C33 | H31 | sing | 1.08Å | 1.08Å | |
| C34 | H32 | sing | 1.08Å | 1.08Å | |
| N5 | C35 | sing | 1.48Å | 1.46Å | |
| N5 | H33 | sing | 0.97Å | 1.00Å | |
| C35 | C36 | sing | 1.50Å | 1.54Å | |
| C35 | C37 | sing | 1.53Å | 1.55Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C36 | O5 | doub | 1.21Å | 1.23Å | |
| C37 | C38 | sing | 1.51Å | 1.51Å | |
| C37 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C38 | O6 | doub | 1.21Å | 1.22Å | |
| C38 | N6 | sing | 1.35Å | 1.30Å | |
| N6 | H37 | sing | 0.97Å | 1.00Å | |
| N6 | H38 | sing | 0.97Å | 1.00Å | |
| N7 | C39 | sing | 1.48Å | 1.47Å | |
| N7 | H39 | sing | 0.97Å | 1.00Å | |
| C39 | C40 | sing | 1.51Å | 1.53Å | |
| C39 | C41 | sing | 1.53Å | 1.53Å | |
| C39 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | O7 | doub | 1.21Å | 1.22Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C42 | H43 | sing | 1.09Å | 1.10Å | |
| C42 | H44 | sing | 1.09Å | 1.10Å | |
| C43 | C44 | sing | 1.53Å | 1.53Å | |
| C43 | H45 | sing | 1.09Å | 1.10Å | |
| C43 | H46 | sing | 1.09Å | 1.10Å | |
| C44 | N8 | sing | 1.47Å | 1.51Å | |
| C44 | H47 | sing | 1.09Å | 1.10Å | |
| C44 | H48 | sing | 1.09Å | 1.10Å | |
| N8 | H49 | sing | 1.01Å | 1.00Å | |
| N8 | H50 | sing | 1.01Å | 1.00Å | |
| N8 | H51 | sing | 1.01Å | 1.00Å | |
| N9 | C45 | sing | 1.48Å | 1.46Å | |
| N9 | H52 | sing | 0.97Å | 1.00Å | |
| C45 | C46 | sing | 1.51Å | 1.52Å | |
| C45 | C47 | sing | 1.53Å | 1.53Å | |
| C45 | H53 | sing | 1.09Å | 1.10Å | |
| C46 | O8 | doub | 1.21Å | 1.22Å | |
| C47 | C48 | sing | 1.51Å | 1.51Å | |
| C47 | H54 | sing | 1.09Å | 1.10Å | |
| C47 | H55 | sing | 1.09Å | 1.10Å | |
| C48 | C49 | doub | 1.38Å | 1.41Å | Aromatic |
| C48 | C50 | sing | 1.38Å | 1.41Å | Aromatic |
| C49 | C51 | sing | 1.38Å | 1.42Å | Aromatic |
| C49 | H56 | sing | 1.08Å | 1.08Å | |
| C50 | C52 | doub | 1.38Å | 1.42Å | Aromatic |
| C50 | H57 | sing | 1.08Å | 1.08Å | |
| C51 | C53 | doub | 1.39Å | 1.40Å | Aromatic |
| C51 | H58 | sing | 1.08Å | 1.08Å | |
| C52 | C53 | sing | 1.39Å | 1.40Å | Aromatic |
| C52 | H59 | sing | 1.08Å | 1.08Å | |
| C53 | O9 | sing | 1.36Å | 1.37Å | |
| O9 | H60 | sing | 0.97Å | 0.95Å | |
| N10 | C54 | sing | 1.48Å | 1.46Å | |
| N10 | H61 | sing | 0.97Å | 1.00Å | |
| C54 | C55 | sing | 1.51Å | 1.53Å | |
| C54 | C56 | sing | 1.53Å | 1.55Å | |
| C54 | H62 | sing | 1.09Å | 1.10Å | |
| C55 | O10 | doub | 1.21Å | 1.24Å | |
| C56 | C57 | sing | 1.53Å | 1.49Å | |
| C56 | C58 | sing | 1.53Å | 1.54Å | |
| C56 | H63 | sing | 1.09Å | 1.10Å | |
| C57 | H64 | sing | 1.09Å | 1.10Å | |
| C57 | H65 | sing | 1.09Å | 1.10Å | |
| C57 | H66 | sing | 1.09Å | 1.10Å | |
| C58 | H67 | sing | 1.09Å | 1.10Å | |
| C58 | H68 | sing | 1.09Å | 1.10Å | |
| C58 | H69 | sing | 1.09Å | 1.10Å | |
| N11 | C59 | sing | 1.48Å | 1.48Å | |
| N11 | H70 | sing | 0.97Å | 1.00Å | |
| C59 | C60 | sing | 1.53Å | 1.57Å | |
| C59 | C63 | sing | 1.50Å | 1.55Å | |
| C59 | H71 | sing | 1.09Å | 1.10Å | |
| C60 | C61 | sing | 1.53Å | 1.56Å | |
| C60 | H72 | sing | 1.09Å | 1.10Å | |
| C60 | H73 | sing | 1.09Å | 1.10Å | |
| C61 | C62 | sing | 1.53Å | 1.55Å | |
| C61 | H74 | sing | 1.09Å | 1.10Å | |
| C61 | H75 | sing | 1.09Å | 1.10Å | |
| C62 | N12 | sing | 1.47Å | 1.48Å | |
| C62 | H76 | sing | 1.09Å | 1.10Å | |
| C62 | H77 | sing | 1.09Å | 1.10Å | |
| N12 | H78 | sing | 1.01Å | 1.00Å | |
| N12 | H79 | sing | 1.01Å | 1.00Å | |
| C63 | O11 | doub | 1.21Å | 1.24Å | |
| N13 | C64 | sing | 1.48Å | 1.46Å | |
| N13 | H80 | sing | 0.97Å | 1.00Å | |
| C64 | C65 | sing | 1.50Å | 1.53Å | |
| C64 | C66 | sing | 1.53Å | 1.52Å | |
| C64 | H81 | sing | 1.09Å | 1.10Å | |
| C65 | O12 | doub | 1.21Å | 1.22Å | |
| C66 | C67 | sing | 1.53Å | 1.53Å | |
| C66 | H82 | sing | 1.09Å | 1.10Å | |
| C66 | H83 | sing | 1.09Å | 1.10Å | |
| C67 | C68 | sing | 1.53Å | 1.54Å | |
| C67 | C69 | sing | 1.53Å | 1.49Å | |
| C67 | H84 | sing | 1.09Å | 1.10Å | |
| C68 | H85 | sing | 1.09Å | 1.10Å | |
| C68 | H86 | sing | 1.09Å | 1.10Å | |
| C68 | H87 | sing | 1.09Å | 1.10Å | |
| C69 | H88 | sing | 1.09Å | 1.10Å | |
| C69 | H89 | sing | 1.09Å | 1.10Å | |
| C69 | H90 | sing | 1.09Å | 1.10Å | |
| N1 | C65 | sing | 1.36Å | 1.33Å | |
| C2 | N2 | sing | 1.36Å | 1.36Å | |
| C10 | N3 | sing | 1.36Å | 1.34Å | |
| C18 | N4 | sing | 1.37Å | 1.33Å | |
| C27 | N5 | sing | 1.36Å | 1.32Å | |
| C36 | N7 | sing | 1.36Å | 1.33Å | |
| C40 | N9 | sing | 1.36Å | 1.32Å | |
| C46 | N10 | sing | 1.36Å | 1.33Å | |
| C55 | N11 | sing | 1.36Å | 1.33Å | |
| C63 | N13 | sing | 1.36Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 118.0° | 122.1° |
| N1 | C1 | C2 | 115.9° | 110.6° |
| N1 | C1 | C3 | 110.1° | 109.2° |
| N1 | C1 | H2 | 107.0° | 109.3° |
| C1 | N1 | C65 | 124.0° | 115.9° |
| H1 | N1 | C65 | 118.0° | 122.1° |
| C2 | C1 | C3 | 110.7° | 109.2° |
| C2 | C1 | H2 | 106.2° | 109.3° |
| C1 | C2 | O1 | 119.9° | 120.5° |
| C1 | C2 | N2 | 117.6° | 118.9° |
| C3 | C1 | H2 | 106.3° | 109.3° |
| C1 | C3 | C4 | 113.5° | 109.4° |
| C1 | C3 | H3 | 108.5° | 109.5° |
| C1 | C3 | H4 | 108.5° | 109.4° |
| O1 | C2 | N2 | 122.6° | 120.5° |
| C4 | C3 | H3 | 108.4° | 109.5° |
| C4 | C3 | H4 | 108.5° | 109.5° |
| C3 | C4 | C5 | 120.7° | 120.0° |
| C3 | C4 | C6 | 120.3° | 120.0° |
| H3 | C3 | H4 | 109.4° | 109.5° |
| C5 | C4 | C6 | 118.9° | 120.0° |
| C4 | C5 | C7 | 120.8° | 120.0° |
| C4 | C5 | H5 | 119.6° | 120.0° |
| C4 | C6 | C8 | 120.8° | 120.0° |
| C4 | C6 | H6 | 119.6° | 120.0° |
| C7 | C5 | H5 | 119.6° | 120.0° |
| C5 | C7 | C9 | 119.9° | 120.0° |
| C5 | C7 | H7 | 120.0° | 120.1° |
| C8 | C6 | H6 | 119.6° | 120.1° |
| C6 | C8 | C9 | 119.9° | 120.1° |
| C6 | C8 | H8 | 120.1° | 119.9° |
| C9 | C7 | H7 | 120.1° | 120.0° |
| C7 | C9 | C8 | 119.7° | 120.0° |
| C7 | C9 | H9 | 120.1° | 120.0° |
| C9 | C8 | H8 | 120.1° | 120.0° |
| C8 | C9 | H9 | 120.2° | 120.0° |
| O2 | C10 | C11 | 124.3° | 120.3° |
| O2 | C10 | N3 | 120.3° | 120.2° |
| C10 | C11 | C12 | 121.4° | 120.2° |
| C10 | C11 | C16 | 119.5° | 120.1° |
| C11 | C10 | N3 | 115.4° | 119.6° |
| C12 | C11 | C16 | 119.1° | 119.6° |
| C11 | C12 | C13 | 118.6° | 119.7° |
| C11 | C12 | N2 | 120.5° | 119.8° |
| C11 | C16 | C15 | 120.9° | 119.8° |
| C11 | C16 | H14 | 119.5° | 120.1° |
| C13 | C12 | N2 | 120.8° | 120.4° |
| C12 | C13 | C14 | 121.3° | 120.0° |
| C12 | C13 | H10 | 119.3° | 119.9° |
| C12 | N2 | H11 | 116.0° | 121.6° |
| C12 | N2 | C2 | 128.0° | 116.8° |
| C14 | C13 | H10 | 119.4° | 120.0° |
| C13 | C14 | C15 | 120.1° | 120.5° |
| C13 | C14 | H12 | 120.0° | 119.8° |
| H11 | N2 | C2 | 116.0° | 121.6° |
| C15 | C14 | H12 | 120.0° | 119.8° |
| C14 | C15 | C16 | 120.0° | 120.4° |
| C14 | C15 | H13 | 120.0° | 119.9° |
| C16 | C15 | H13 | 120.0° | 119.8° |
| C15 | C16 | H14 | 119.6° | 120.1° |
| C17 | N3 | H15 | 118.4° | 121.7° |
| N3 | C17 | C18 | 108.8° | 110.0° |
| N3 | C17 | C19 | 110.2° | 109.4° |
| N3 | C17 | H16 | 109.8° | 109.4° |
| C17 | N3 | C10 | 123.2° | 116.5° |
| H15 | N3 | C10 | 118.4° | 121.7° |
| C18 | C17 | C19 | 110.2° | 109.4° |
| C18 | C17 | H16 | 109.0° | 109.4° |
| C17 | C18 | O3 | 119.9° | 121.1° |
| C17 | C18 | N4 | 113.1° | 117.9° |
| C19 | C17 | H16 | 108.7° | 109.3° |
| C17 | C19 | C20 | 113.8° | 109.5° |
| C17 | C19 | H17 | 108.4° | 109.5° |
| C17 | C19 | H18 | 108.3° | 109.5° |
| O3 | C18 | N4 | 127.0° | 121.0° |
| C20 | C19 | H17 | 108.4° | 109.5° |
| C20 | C19 | H18 | 108.4° | 109.4° |
| C19 | C20 | C21 | 120.7° | 120.0° |
| C19 | C20 | C22 | 120.4° | 120.0° |
| H17 | C19 | H18 | 109.5° | 109.4° |
| C21 | C20 | C22 | 118.9° | 119.9° |
| C20 | C21 | C23 | 120.8° | 120.1° |
| C20 | C21 | H19 | 119.6° | 120.0° |
| C20 | C22 | C24 | 120.8° | 120.0° |
| C20 | C22 | H20 | 119.6° | 120.0° |
| C23 | C21 | H19 | 119.6° | 120.0° |
| C21 | C23 | C25 | 120.0° | 119.9° |
| C21 | C23 | H21 | 120.0° | 120.0° |
| C24 | C22 | H20 | 119.6° | 120.0° |
| C22 | C24 | C25 | 119.9° | 120.0° |
| C22 | C24 | H22 | 120.1° | 120.0° |
| C25 | C23 | H21 | 120.0° | 120.0° |
| C23 | C25 | C24 | 119.7° | 120.0° |
| C23 | C25 | H23 | 120.1° | 120.0° |
| C25 | C24 | H22 | 120.1° | 120.0° |
| C24 | C25 | H23 | 120.2° | 120.0° |
| C26 | N4 | H24 | 115.1° | 122.0° |
| N4 | C26 | C27 | 106.5° | 108.3° |
| N4 | C26 | C28 | 118.0° | 109.7° |
| N4 | C26 | H25 | 107.5° | 109.7° |
| C26 | N4 | C18 | 129.8° | 115.9° |
| H24 | N4 | C18 | 115.1° | 122.0° |
| C27 | C26 | C28 | 110.7° | 109.7° |
| C27 | C26 | H25 | 107.0° | 109.8° |
| C26 | C27 | O4 | 121.1° | 120.2° |
| C26 | C27 | N5 | 116.1° | 119.6° |
| C28 | C26 | H25 | 106.7° | 109.7° |
| C26 | C28 | C29 | 114.2° | 109.4° |
| C26 | C28 | H26 | 108.3° | 109.5° |
| C26 | C28 | H27 | 108.3° | 109.5° |
| O4 | C27 | N5 | 122.7° | 120.2° |
| C29 | C28 | H26 | 108.3° | 109.5° |
| C29 | C28 | H27 | 108.3° | 109.5° |
| C28 | C29 | C30 | 121.3° | 120.0° |
| C28 | C29 | C31 | 120.0° | 120.0° |
| H26 | C28 | H27 | 109.5° | 109.5° |
| C30 | C29 | C31 | 118.8° | 120.0° |
| C29 | C30 | C32 | 120.8° | 120.0° |
| C29 | C30 | H28 | 119.6° | 120.0° |
| C29 | C31 | C33 | 120.9° | 120.0° |
| C29 | C31 | H29 | 119.6° | 120.0° |
| C32 | C30 | H28 | 119.6° | 120.0° |
| C30 | C32 | C34 | 119.9° | 120.0° |
| C30 | C32 | H30 | 120.1° | 120.0° |
| C33 | C31 | H29 | 119.6° | 120.0° |
| C31 | C33 | C34 | 119.9° | 120.0° |
| C31 | C33 | H31 | 120.1° | 120.0° |
| C34 | C32 | H30 | 120.0° | 120.0° |
| C32 | C34 | C33 | 119.7° | 120.0° |
| C32 | C34 | H32 | 120.1° | 120.0° |
| C34 | C33 | H31 | 120.1° | 120.0° |
| C33 | C34 | H32 | 120.1° | 120.0° |
| C35 | N5 | H33 | 119.2° | 121.7° |
| N5 | C35 | C36 | 111.1° | 109.0° |
| N5 | C35 | C37 | 110.0° | 109.5° |
| N5 | C35 | H34 | 108.3° | 109.6° |
| C35 | N5 | C27 | 121.7° | 116.5° |
| H33 | N5 | C27 | 119.2° | 121.8° |
| C36 | C35 | C37 | 112.7° | 109.5° |
| C36 | C35 | H34 | 107.3° | 109.5° |
| C35 | C36 | O5 | 120.9° | 120.2° |
| C35 | C36 | N7 | 116.7° | 119.6° |
| C37 | C35 | H34 | 107.2° | 109.6° |
| C35 | C37 | C38 | 113.3° | 109.5° |
| C35 | C37 | H35 | 108.5° | 109.5° |
| C35 | C37 | H36 | 108.5° | 109.4° |
| O5 | C36 | N7 | 122.4° | 120.2° |
| C38 | C37 | H35 | 108.5° | 109.5° |
| C38 | C37 | H36 | 108.5° | 109.5° |
| C37 | C38 | O6 | 121.5° | 120.0° |
| C37 | C38 | N6 | 116.3° | 120.0° |
| H35 | C37 | H36 | 109.5° | 109.5° |
| O6 | C38 | N6 | 122.2° | 120.0° |
| C38 | N6 | H37 | 120.0° | 119.9° |
| C38 | N6 | H38 | 120.0° | 120.1° |
| H37 | N6 | H38 | 120.0° | 120.0° |
| C39 | N7 | H39 | 118.8° | 122.2° |
| N7 | C39 | C40 | 114.8° | 108.9° |
| N7 | C39 | C41 | 109.7° | 109.5° |
| N7 | C39 | H40 | 108.4° | 109.6° |
| C39 | N7 | C36 | 122.5° | 115.6° |
| H39 | N7 | C36 | 118.8° | 122.2° |
| C40 | C39 | C41 | 108.5° | 109.6° |
| C40 | C39 | H40 | 107.6° | 109.6° |
| C39 | C40 | O7 | 119.6° | 120.2° |
| C39 | C40 | N9 | 117.6° | 119.6° |
| C41 | C39 | H40 | 107.6° | 109.7° |
| C39 | C41 | C42 | 113.7° | 109.5° |
| C39 | C41 | H41 | 108.4° | 109.5° |
| C39 | C41 | H42 | 108.4° | 109.5° |
| O7 | C40 | N9 | 122.8° | 120.2° |
| C42 | C41 | H41 | 108.4° | 109.5° |
| C42 | C41 | H42 | 108.4° | 109.5° |
| C41 | C42 | C43 | 111.1° | 109.5° |
| C41 | C42 | H43 | 109.0° | 109.5° |
| C41 | C42 | H44 | 109.1° | 109.5° |
| H41 | C41 | H42 | 109.5° | 109.4° |
| C43 | C42 | H43 | 109.1° | 109.5° |
| C43 | C42 | H44 | 109.1° | 109.5° |
| C42 | C43 | C44 | 111.0° | 109.5° |
| C42 | C43 | H45 | 109.1° | 109.5° |
| C42 | C43 | H46 | 109.1° | 109.5° |
| H43 | C42 | H44 | 109.5° | 109.5° |
| C44 | C43 | H45 | 109.1° | 109.5° |
| C44 | C43 | H46 | 109.1° | 109.5° |
| C43 | C44 | N8 | 111.7° | 109.5° |
| C43 | C44 | H47 | 108.9° | 109.5° |
| C43 | C44 | H48 | 108.9° | 109.5° |
| H45 | C43 | H46 | 109.5° | 109.5° |
| N8 | C44 | H47 | 108.9° | 109.5° |
| N8 | C44 | H48 | 108.9° | 109.5° |
| C44 | N8 | H49 | 109.5° | 109.5° |
| C44 | N8 | H50 | 109.5° | 109.4° |
| C44 | N8 | H51 | 109.4° | 109.4° |
| H47 | C44 | H48 | 109.5° | 109.4° |
| H49 | N8 | H50 | 109.5° | 109.5° |
| H49 | N8 | H51 | 109.5° | 109.4° |
| H50 | N8 | H51 | 109.5° | 109.5° |
| C45 | N9 | H52 | 119.1° | 121.8° |
| N9 | C45 | C46 | 112.1° | 109.1° |
| N9 | C45 | C47 | 109.7° | 109.5° |
| N9 | C45 | H53 | 109.2° | 109.5° |
| C45 | N9 | C40 | 121.8° | 116.5° |
| H52 | N9 | C40 | 119.1° | 121.7° |
| C46 | C45 | C47 | 108.9° | 109.5° |
| C46 | C45 | H53 | 108.4° | 109.5° |
| C45 | C46 | O8 | 120.6° | 120.4° |
| C45 | C46 | N10 | 116.8° | 119.3° |
| C47 | C45 | H53 | 108.4° | 109.6° |
| C45 | C47 | C48 | 113.5° | 109.5° |
| C45 | C47 | H54 | 108.4° | 109.5° |
| C45 | C47 | H55 | 108.5° | 109.5° |
| O8 | C46 | N10 | 122.6° | 120.3° |
| C48 | C47 | H54 | 108.5° | 109.5° |
| C48 | C47 | H55 | 108.5° | 109.4° |
| C47 | C48 | C49 | 120.8° | 119.9° |
| C47 | C48 | C50 | 120.9° | 120.0° |
| H54 | C47 | H55 | 109.4° | 109.5° |
| C49 | C48 | C50 | 118.4° | 120.1° |
| C48 | C49 | C51 | 120.9° | 120.0° |
| C48 | C49 | H56 | 119.5° | 120.0° |
| C48 | C50 | C52 | 120.9° | 120.1° |
| C48 | C50 | H57 | 119.6° | 119.9° |
| C51 | C49 | H56 | 119.6° | 120.0° |
| C49 | C51 | C53 | 119.8° | 119.9° |
| C49 | C51 | H58 | 120.1° | 120.0° |
| C52 | C50 | H57 | 119.6° | 120.0° |
| C50 | C52 | C53 | 119.6° | 119.9° |
| C50 | C52 | H59 | 120.2° | 120.0° |
| C53 | C51 | H58 | 120.1° | 120.1° |
| C51 | C53 | C52 | 120.4° | 119.9° |
| C51 | C53 | O9 | 119.5° | 120.0° |
| C53 | C52 | H59 | 120.2° | 120.1° |
| C52 | C53 | O9 | 120.0° | 120.0° |
| C53 | O9 | H60 | 109.5° | 114.0° |
| C54 | N10 | H61 | 119.2° | 122.2° |
| N10 | C54 | C55 | 111.6° | 109.0° |
| N10 | C54 | C56 | 110.6° | 109.6° |
| N10 | C54 | H62 | 107.9° | 109.5° |
| C54 | N10 | C46 | 121.6° | 115.6° |
| H61 | N10 | C46 | 119.2° | 122.2° |
| C55 | C54 | C56 | 112.7° | 109.5° |
| C55 | C54 | H62 | 107.0° | 109.6° |
| C54 | C55 | O10 | 121.2° | 120.4° |
| C54 | C55 | N11 | 114.6° | 119.2° |
| C56 | C54 | H62 | 106.8° | 109.6° |
| C54 | C56 | C57 | 110.7° | 109.5° |
| C54 | C56 | C58 | 111.3° | 109.4° |
| C54 | C56 | H63 | 107.6° | 109.5° |
| O10 | C55 | N11 | 124.2° | 120.4° |
| C57 | C56 | C58 | 110.8° | 109.4° |
| C57 | C56 | H63 | 108.4° | 109.5° |
| C56 | C57 | H64 | 109.5° | 109.5° |
| C56 | C57 | H65 | 109.5° | 109.5° |
| C56 | C57 | H66 | 109.5° | 109.4° |
| C58 | C56 | H63 | 107.8° | 109.4° |
| C56 | C58 | H67 | 109.5° | 109.5° |
| C56 | C58 | H68 | 109.5° | 109.5° |
| C56 | C58 | H69 | 109.5° | 109.4° |
| H64 | C57 | H65 | 109.4° | 109.5° |
| H64 | C57 | H66 | 109.5° | 109.5° |
| H65 | C57 | H66 | 109.5° | 109.5° |
| H67 | C58 | H68 | 109.5° | 109.5° |
| H67 | C58 | H69 | 109.4° | 109.5° |
| H68 | C58 | H69 | 109.5° | 109.5° |
| C59 | N11 | H70 | 117.4° | 121.7° |
| N11 | C59 | C60 | 108.7° | 109.6° |
| N11 | C59 | C63 | 109.0° | 109.4° |
| N11 | C59 | H71 | 109.9° | 109.5° |
| C59 | N11 | C55 | 125.2° | 116.5° |
| H70 | N11 | C55 | 117.4° | 121.7° |
| C60 | C59 | C63 | 111.7° | 109.6° |
| C60 | C59 | H71 | 108.7° | 109.6° |
| C59 | C60 | C61 | 112.7° | 109.5° |
| C59 | C60 | H72 | 108.7° | 109.4° |
| C59 | C60 | H73 | 108.7° | 109.5° |
| C63 | C59 | H71 | 108.8° | 109.2° |
| C59 | C63 | O11 | 119.4° | 120.4° |
| C59 | C63 | N13 | 116.8° | 119.8° |
| C61 | C60 | H72 | 108.7° | 109.5° |
| C61 | C60 | H73 | 108.7° | 109.5° |
| C60 | C61 | C62 | 112.0° | 109.5° |
| C60 | C61 | H74 | 108.8° | 109.5° |
| C60 | C61 | H75 | 108.8° | 109.5° |
| H72 | C60 | H73 | 109.5° | 109.5° |
| C62 | C61 | H74 | 108.8° | 109.5° |
| C62 | C61 | H75 | 108.8° | 109.5° |
| C61 | C62 | N12 | 111.9° | 109.5° |
| C61 | C62 | H76 | 108.8° | 109.5° |
| C61 | C62 | H77 | 108.8° | 109.5° |
| H74 | C61 | H75 | 109.5° | 109.4° |
| N12 | C62 | H76 | 108.9° | 109.4° |
| N12 | C62 | H77 | 108.9° | 109.4° |
| C62 | N12 | H78 | 109.5° | 111.0° |
| C62 | N12 | H79 | 109.5° | 111.0° |
| H76 | C62 | H77 | 109.5° | 109.5° |
| H78 | N12 | H79 | 109.5° | 111.0° |
| O11 | C63 | N13 | 122.9° | 119.8° |
| C64 | N13 | H80 | 118.3° | 122.2° |
| N13 | C64 | C65 | 111.5° | 108.2° |
| N13 | C64 | C66 | 109.2° | 109.7° |
| N13 | C64 | H81 | 108.5° | 109.7° |
| C64 | N13 | C63 | 123.3° | 115.7° |
| H80 | N13 | C63 | 118.3° | 122.1° |
| C65 | C64 | C66 | 112.2° | 109.7° |
| C65 | C64 | H81 | 107.6° | 109.7° |
| C64 | C65 | O12 | 120.4° | 119.4° |
| C64 | C65 | N1 | 115.9° | 121.2° |
| C66 | C64 | H81 | 107.7° | 109.7° |
| C64 | C66 | C67 | 111.5° | 109.5° |
| C64 | C66 | H82 | 108.9° | 109.5° |
| C64 | C66 | H83 | 109.0° | 109.5° |
| O12 | C65 | N1 | 123.7° | 119.4° |
| C67 | C66 | H82 | 109.0° | 109.4° |
| C67 | C66 | H83 | 108.9° | 109.5° |
| C66 | C67 | C68 | 111.9° | 109.5° |
| C66 | C67 | C69 | 108.9° | 109.4° |
| C66 | C67 | H84 | 108.5° | 109.5° |
| H82 | C66 | H83 | 109.5° | 109.5° |
| C68 | C67 | C69 | 110.0° | 109.5° |
| C68 | C67 | H84 | 108.4° | 109.5° |
| C67 | C68 | H85 | 109.5° | 109.4° |
| C67 | C68 | H86 | 109.5° | 109.5° |
| C67 | C68 | H87 | 109.5° | 109.4° |
| C69 | C67 | H84 | 109.0° | 109.5° |
| C67 | C69 | H88 | 109.5° | 109.4° |
| C67 | C69 | H89 | 109.5° | 109.5° |
| C67 | C69 | H90 | 109.5° | 109.5° |
| H85 | C68 | H86 | 109.5° | 109.4° |
| H85 | C68 | H87 | 109.5° | 109.5° |
| H86 | C68 | H87 | 109.5° | 109.5° |
| H88 | C69 | H89 | 109.5° | 109.4° |
| H88 | C69 | H90 | 109.5° | 109.4° |
| H89 | C69 | H90 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C65 | 180.0° | 179.8° |
| N1 | C1 | C2 | C3 | 126.3° | 120.2° |
| N1 | C1 | C2 | H2 | 118.7° | 120.3° |
| N1 | C1 | C3 | H2 | 115.5° | 119.5° |
| N1 | C1 | C2 | O1 | 167.5° | 61.9° |
| N1 | C1 | C3 | C4 | 143.2° | 173.5° |
| N1 | C1 | C3 | H3 | 96.3° | 66.5° |
| N1 | C1 | C3 | H4 | 22.5° | 53.5° |
| C1 | N1 | C65 | C64 | 178.4° | 178.6° |
| C1 | N1 | C65 | O12 | 1.1° | 1.5° |
| N1 | C1 | C2 | N2 | 13.9° | 118.1° |
| H1 | N1 | C1 | C2 | 121.2° | 6.7° |
| H1 | N1 | C1 | C3 | 112.2° | 113.5° |
| H1 | N1 | C1 | H2 | 2.9° | 127.1° |
| H1 | N1 | C65 | C64 | 1.6° | 1.6° |
| H1 | N1 | C65 | O12 | 178.9° | 178.4° |
| C2 | C1 | C3 | H2 | 115.0° | 119.5° |
| C1 | C2 | O1 | N2 | 178.5° | 180.0° |
| C2 | C1 | C3 | C4 | 87.3° | 65.5° |
| C2 | C1 | C3 | H3 | 33.2° | 54.6° |
| C2 | C1 | C3 | H4 | 152.0° | 174.6° |
| C1 | C2 | N2 | C12 | 170.8° | 167.9° |
| C1 | C2 | N2 | H11 | 9.2° | 12.1° |
| C2 | C1 | N1 | C65 | 58.9° | 173.4° |
| C3 | C1 | C2 | O1 | 41.2° | 58.3° |
| C1 | C3 | C4 | H3 | 120.6° | 120.0° |
| C1 | C3 | C4 | H4 | 120.6° | 119.9° |
| C1 | C3 | H3 | H4 | 118.2° | 120.0° |
| C1 | C3 | C4 | C5 | 104.2° | 95.2° |
| C1 | C3 | C4 | C6 | 75.2° | 85.1° |
| C3 | C1 | N1 | C65 | 67.7° | 66.4° |
| C3 | C1 | C2 | N2 | 140.2° | 121.6° |
| H2 | C1 | C2 | O1 | 73.8° | 177.8° |
| H2 | C1 | C3 | C4 | 27.6° | 54.0° |
| H2 | C1 | C3 | H3 | 148.2° | 174.1° |
| H2 | C1 | C3 | H4 | 93.0° | 66.0° |
| H2 | C1 | N1 | C65 | 177.1° | 53.1° |
| H2 | C1 | C2 | N2 | 104.7° | 2.2° |
| O1 | C2 | N2 | C12 | 7.7° | 12.1° |
| O1 | C2 | N2 | H11 | 172.3° | 167.9° |
| C4 | C3 | H3 | H4 | 118.2° | 120.0° |
| C3 | C4 | C5 | C6 | 179.4° | 179.7° |
| C3 | C4 | C5 | C7 | 179.3° | 180.0° |
| C3 | C4 | C5 | H5 | 0.8° | 0.1° |
| C3 | C4 | C6 | C8 | 179.3° | 180.0° |
| C3 | C4 | C6 | H6 | 0.7° | 0.0° |
| H3 | C3 | C4 | C5 | 16.4° | 24.8° |
| H3 | C3 | C4 | C6 | 164.2° | 154.9° |
| H4 | C3 | C4 | C5 | 135.2° | 144.8° |
| H4 | C3 | C4 | C6 | 45.4° | 34.9° |
| C4 | C5 | C7 | H5 | 180.0° | 180.0° |
| C5 | C4 | C6 | C8 | 0.2° | 0.3° |
| C5 | C4 | C6 | H6 | 179.8° | 179.7° |
| C4 | C5 | C7 | C9 | 0.1° | 0.0° |
| C4 | C5 | C7 | H7 | 179.9° | 179.9° |
| C6 | C4 | C5 | C7 | 0.2° | 0.3° |
| C6 | C4 | C5 | H5 | 179.8° | 179.7° |
| C4 | C6 | C8 | H6 | 180.0° | 180.0° |
| C4 | C6 | C8 | C9 | 0.0° | 0.0° |
| C4 | C6 | C8 | H8 | 180.0° | 180.0° |
| C5 | C7 | C9 | H7 | 180.0° | 179.9° |
| C5 | C7 | C9 | C8 | 0.3° | 0.3° |
| C5 | C7 | C9 | H9 | 179.8° | 180.0° |
| H5 | C5 | C7 | C9 | 180.0° | 180.0° |
| H5 | C5 | C7 | H7 | 0.0° | 0.1° |
| C6 | C8 | C9 | C7 | 0.2° | 0.3° |
| C6 | C8 | C9 | H8 | 180.0° | 180.0° |
| C6 | C8 | C9 | H9 | 179.8° | 180.0° |
| H6 | C6 | C8 | C9 | 180.0° | 180.0° |
| H6 | C6 | C8 | H8 | 0.0° | 0.0° |
| C7 | C9 | C8 | H9 | 180.0° | 179.7° |
| C7 | C9 | C8 | H8 | 179.7° | 179.7° |
| H7 | C7 | C9 | C8 | 179.7° | 179.8° |
| H7 | C7 | C9 | H9 | 0.3° | 0.1° |
| H8 | C8 | C9 | H9 | 0.2° | 0.0° |
| O2 | C10 | C11 | N3 | 179.3° | 180.0° |
| O2 | C10 | C11 | C12 | 18.8° | 5.6° |
| O2 | C10 | C11 | C16 | 160.1° | 173.1° |
| O2 | C10 | N3 | C17 | 8.0° | 13.0° |
| O2 | C10 | N3 | H15 | 172.0° | 167.0° |
| C10 | C11 | C12 | C16 | 178.9° | 178.7° |
| C10 | C11 | C12 | C13 | 178.9° | 179.6° |
| C10 | C11 | C12 | N2 | 4.0° | 0.9° |
| C10 | C11 | C16 | C15 | 178.4° | 179.3° |
| C10 | C11 | C16 | H14 | 1.6° | 0.7° |
| C11 | C10 | N3 | C17 | 172.7° | 167.0° |
| C11 | C10 | N3 | H15 | 7.3° | 12.9° |
| C11 | C12 | C13 | N2 | 177.1° | 178.7° |
| C11 | C12 | C13 | C14 | 0.6° | 0.5° |
| C11 | C12 | C13 | H10 | 179.4° | 179.5° |
| C11 | C12 | N2 | H11 | 17.4° | 1.2° |
| C12 | C11 | C16 | C15 | 0.5° | 0.6° |
| C12 | C11 | C16 | H14 | 179.5° | 179.4° |
| C11 | C12 | N2 | C2 | 162.6° | 178.9° |
| C12 | C11 | C10 | N3 | 160.5° | 174.4° |
| C16 | C11 | C12 | C13 | 0.0° | 0.9° |
| C16 | C11 | C12 | N2 | 177.1° | 177.8° |
| C11 | C16 | C15 | C14 | 0.5° | 0.2° |
| C11 | C16 | C15 | H14 | 180.0° | 180.0° |
| C11 | C16 | C15 | H13 | 179.5° | 179.8° |
| C16 | C11 | C10 | N3 | 20.6° | 6.9° |
| C12 | C13 | C14 | H10 | 180.0° | 180.0° |
| C13 | C12 | N2 | H11 | 159.6° | 177.6° |
| C12 | C13 | C14 | C15 | 0.6° | 0.2° |
| C12 | C13 | C14 | H12 | 179.4° | 179.7° |
| C13 | C12 | N2 | C2 | 20.4° | 2.4° |
| N2 | C12 | C13 | C14 | 177.7° | 178.2° |
| N2 | C12 | C13 | H10 | 2.3° | 1.8° |
| C12 | N2 | H11 | C2 | 180.0° | 180.0° |
| C13 | C14 | C15 | H12 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.6° |
| C13 | C14 | C15 | H13 | 180.0° | 179.4° |
| H10 | C13 | C14 | C15 | 179.4° | 179.7° |
| H10 | C13 | C14 | H12 | 0.6° | 0.3° |
| C14 | C15 | C16 | H13 | 180.0° | 180.0° |
| C14 | C15 | C16 | H14 | 179.5° | 179.8° |
| H12 | C14 | C15 | C16 | 180.0° | 179.4° |
| H12 | C14 | C15 | H13 | 0.0° | 0.7° |
| H13 | C15 | C16 | H14 | 0.5° | 0.2° |
| C17 | N3 | H15 | C10 | 180.0° | 180.0° |
| N3 | C17 | C18 | C19 | 121.0° | 120.1° |
| N3 | C17 | C18 | H16 | 119.7° | 120.1° |
| N3 | C17 | C19 | H16 | 120.4° | 119.7° |
| N3 | C17 | C18 | O3 | 17.6° | 2.2° |
| N3 | C17 | C19 | C20 | 58.3° | 68.0° |
| N3 | C17 | C19 | H17 | 179.0° | 52.0° |
| N3 | C17 | C19 | H18 | 62.3° | 172.0° |
| N3 | C17 | C18 | N4 | 161.1° | 177.9° |
| H15 | N3 | C17 | C18 | 99.7° | 73.2° |
| H15 | N3 | C17 | C19 | 21.3° | 166.7° |
| H15 | N3 | C17 | H16 | 141.1° | 47.0° |
| C18 | C17 | C19 | H16 | 119.4° | 119.8° |
| C17 | C18 | O3 | N4 | 178.5° | 179.9° |
| C18 | C17 | C19 | C20 | 61.9° | 171.5° |
| C18 | C17 | C19 | H17 | 58.8° | 68.5° |
| C18 | C17 | C19 | H18 | 177.5° | 51.5° |
| C17 | C18 | N4 | C26 | 176.9° | 179.7° |
| C17 | C18 | N4 | H24 | 3.1° | 0.3° |
| C18 | C17 | N3 | C10 | 80.3° | 106.9° |
| C19 | C17 | C18 | O3 | 103.4° | 122.3° |
| C17 | C19 | C20 | H17 | 120.7° | 120.1° |
| C17 | C19 | C20 | H18 | 120.6° | 120.0° |
| C17 | C19 | H17 | H18 | 118.0° | 120.0° |
| C17 | C19 | C20 | C21 | 85.1° | 92.6° |
| C17 | C19 | C20 | C22 | 94.8° | 87.7° |
| C19 | C17 | N3 | C10 | 158.7° | 13.3° |
| C19 | C17 | C18 | N4 | 77.9° | 57.8° |
| H16 | C17 | C18 | O3 | 137.3° | 118.0° |
| H16 | C17 | C19 | C20 | 178.7° | 51.7° |
| H16 | C17 | C19 | H17 | 60.7° | 171.8° |
| H16 | C17 | C19 | H18 | 58.1° | 68.2° |
| H16 | C17 | N3 | C10 | 39.0° | 133.0° |
| H16 | C17 | C18 | N4 | 41.4° | 62.0° |
| O3 | C18 | N4 | C26 | 1.7° | 0.4° |
| O3 | C18 | N4 | H24 | 178.3° | 179.6° |
| C20 | C19 | H17 | H18 | 118.0° | 120.0° |
| C19 | C20 | C21 | C22 | 179.9° | 179.7° |
| C19 | C20 | C21 | C23 | 179.4° | 180.0° |
| C19 | C20 | C21 | H19 | 0.6° | 0.0° |
| C19 | C20 | C22 | C24 | 179.4° | 180.0° |
| C19 | C20 | C22 | H20 | 0.6° | 0.0° |
| H17 | C19 | C20 | C21 | 35.6° | 27.5° |
| H17 | C19 | C20 | C22 | 144.5° | 152.2° |
| H18 | C19 | C20 | C21 | 154.3° | 147.5° |
| H18 | C19 | C20 | C22 | 25.8° | 32.2° |
| C20 | C21 | C23 | H19 | 180.0° | 180.0° |
| C21 | C20 | C22 | C24 | 0.5° | 0.3° |
| C21 | C20 | C22 | H20 | 179.5° | 179.7° |
| C20 | C21 | C23 | C25 | 0.0° | 0.0° |
| C20 | C21 | C23 | H21 | 180.0° | 179.9° |
| C22 | C20 | C21 | C23 | 0.5° | 0.3° |
| C22 | C20 | C21 | H19 | 179.5° | 179.7° |
| C20 | C22 | C24 | H20 | 180.0° | 180.0° |
| C20 | C22 | C24 | C25 | 0.1° | 0.0° |
| C20 | C22 | C24 | H22 | 179.9° | 180.0° |
| C21 | C23 | C25 | H21 | 180.0° | 179.9° |
| C21 | C23 | C25 | C24 | 0.6° | 0.2° |
| C21 | C23 | C25 | H23 | 179.4° | 180.0° |
| H19 | C21 | C23 | C25 | 180.0° | 180.0° |
| H19 | C21 | C23 | H21 | 0.0° | 0.1° |
| C22 | C24 | C25 | C23 | 0.6° | 0.2° |
| C22 | C24 | C25 | H22 | 180.0° | 180.0° |
| C22 | C24 | C25 | H23 | 179.4° | 180.0° |
| H20 | C22 | C24 | C25 | 179.9° | 180.0° |
| H20 | C22 | C24 | H22 | 0.1° | 0.0° |
| C23 | C25 | C24 | H23 | 180.0° | 179.8° |
| C23 | C25 | C24 | H22 | 179.3° | 179.7° |
| H21 | C23 | C25 | C24 | 179.4° | 179.8° |
| H21 | C23 | C25 | H23 | 0.6° | 0.0° |
| H22 | C24 | C25 | H23 | 0.6° | 0.1° |
| C26 | N4 | H24 | C18 | 180.0° | 180.0° |
| N4 | C26 | C27 | C28 | 129.4° | 119.7° |
| N4 | C26 | C27 | H25 | 114.7° | 119.7° |
| N4 | C26 | C28 | H25 | 120.9° | 120.6° |
| N4 | C26 | C27 | O4 | 41.9° | 11.5° |
| N4 | C26 | C28 | C29 | 97.7° | 58.0° |
| N4 | C26 | C28 | H26 | 23.0° | 62.0° |
| N4 | C26 | C28 | H27 | 141.6° | 178.0° |
| N4 | C26 | C27 | N5 | 137.3° | 168.5° |
| H24 | N4 | C26 | C27 | 56.9° | 26.3° |
| H24 | N4 | C26 | C28 | 178.0° | 146.0° |
| H24 | N4 | C26 | H25 | 57.5° | 93.4° |
| C27 | C26 | C28 | H25 | 116.0° | 120.6° |
| C26 | C27 | O4 | N5 | 179.1° | 179.9° |
| C27 | C26 | C28 | C29 | 25.3° | 60.8° |
| C27 | C26 | C28 | H26 | 146.0° | 179.2° |
| C27 | C26 | C28 | H27 | 95.4° | 59.2° |
| C26 | C27 | N5 | C35 | 176.5° | 179.0° |
| C26 | C27 | N5 | H33 | 3.5° | 1.1° |
| C27 | C26 | N4 | C18 | 123.1° | 153.6° |
| C28 | C26 | C27 | O4 | 87.6° | 131.2° |
| C26 | C28 | C29 | H26 | 120.7° | 120.0° |
| C26 | C28 | C29 | H27 | 120.7° | 120.0° |
| C26 | C28 | H26 | H27 | 117.8° | 120.0° |
| C26 | C28 | C29 | C30 | 85.4° | 98.2° |
| C26 | C28 | C29 | C31 | 95.2° | 82.1° |
| C28 | C26 | N4 | C18 | 2.0° | 34.0° |
| C28 | C26 | C27 | N5 | 93.2° | 48.9° |
| H25 | C26 | C27 | O4 | 156.6° | 108.2° |
| H25 | C26 | C28 | C29 | 141.4° | 178.5° |
| H25 | C26 | C28 | H26 | 97.9° | 58.6° |
| H25 | C26 | C28 | H27 | 20.7° | 61.5° |
| H25 | C26 | N4 | C18 | 122.5° | 86.6° |
| H25 | C26 | C27 | N5 | 22.6° | 71.7° |
| O4 | C27 | N5 | C35 | 4.3° | 1.1° |
| O4 | C27 | N5 | H33 | 175.7° | 178.8° |
| C29 | C28 | H26 | H27 | 117.8° | 120.0° |
| C28 | C29 | C30 | C31 | 179.4° | 179.7° |
| C28 | C29 | C30 | C32 | 179.9° | 180.0° |
| C28 | C29 | C30 | H28 | 0.1° | 0.0° |
| C28 | C29 | C31 | C33 | 179.9° | 180.0° |
| C28 | C29 | C31 | H29 | 0.1° | 0.0° |
| H26 | C28 | C29 | C30 | 35.3° | 21.8° |
| H26 | C28 | C29 | C31 | 144.1° | 157.9° |
| H27 | C28 | C29 | C30 | 153.9° | 141.9° |
| H27 | C28 | C29 | C31 | 25.5° | 37.8° |
| C29 | C30 | C32 | H28 | 180.0° | 180.0° |
| C30 | C29 | C31 | C33 | 0.7° | 0.3° |
| C30 | C29 | C31 | H29 | 179.3° | 179.7° |
| C29 | C30 | C32 | C34 | 0.4° | 0.0° |
| C29 | C30 | C32 | H30 | 179.7° | 180.0° |
| C31 | C29 | C30 | C32 | 0.7° | 0.3° |
| C31 | C29 | C30 | H28 | 179.3° | 179.7° |
| C29 | C31 | C33 | H29 | 180.0° | 180.0° |
| C29 | C31 | C33 | C34 | 0.4° | 0.1° |
| C29 | C31 | C33 | H31 | 179.6° | 179.9° |
| C30 | C32 | C34 | H30 | 180.0° | 180.0° |
| C30 | C32 | C34 | C33 | 0.1° | 0.2° |
| C30 | C32 | C34 | H32 | 179.9° | 180.0° |
| H28 | C30 | C32 | C34 | 179.6° | 180.0° |
| H28 | C30 | C32 | H30 | 0.4° | 0.0° |
| C31 | C33 | C34 | C32 | 0.1° | 0.2° |
| C31 | C33 | C34 | H31 | 180.0° | 179.9° |
| C31 | C33 | C34 | H32 | 179.9° | 180.0° |
| H29 | C31 | C33 | C34 | 179.6° | 180.0° |
| H29 | C31 | C33 | H31 | 0.4° | 0.1° |
| C32 | C34 | C33 | H32 | 180.0° | 179.8° |
| C32 | C34 | C33 | H31 | 179.9° | 179.7° |
| H30 | C32 | C34 | C33 | 180.0° | 179.8° |
| H30 | C32 | C34 | H32 | 0.0° | 0.0° |
| H31 | C33 | C34 | H32 | 0.1° | 0.1° |
| C35 | N5 | H33 | C27 | 180.0° | 179.9° |
| N5 | C35 | C36 | C37 | 124.0° | 119.9° |
| N5 | C35 | C36 | H34 | 118.2° | 119.9° |
| N5 | C35 | C37 | H34 | 117.5° | 120.2° |
| N5 | C35 | C36 | O5 | 16.6° | 33.2° |
| N5 | C35 | C37 | C38 | 60.8° | 178.9° |
| N5 | C35 | C37 | H35 | 178.6° | 58.9° |
| N5 | C35 | C37 | H36 | 59.7° | 61.1° |
| N5 | C35 | C36 | N7 | 164.3° | 146.8° |
| H33 | N5 | C35 | C36 | 71.2° | 45.2° |
| H33 | N5 | C35 | C37 | 54.3° | 165.1° |
| H33 | N5 | C35 | H34 | 171.2° | 74.7° |
| C36 | C35 | C37 | H34 | 117.9° | 120.2° |
| C35 | C36 | O5 | N7 | 179.0° | 180.0° |
| C36 | C35 | C37 | C38 | 63.7° | 61.6° |
| C36 | C35 | C37 | H35 | 56.9° | 178.4° |
| C36 | C35 | C37 | H36 | 175.7° | 58.4° |
| C35 | C36 | N7 | C39 | 176.9° | 179.9° |
| C35 | C36 | N7 | H39 | 3.1° | 0.1° |
| C36 | C35 | N5 | C27 | 108.8° | 134.9° |
| C37 | C35 | C36 | O5 | 140.6° | 153.1° |
| C35 | C37 | C38 | H35 | 120.6° | 120.0° |
| C35 | C37 | C38 | H36 | 120.6° | 120.0° |
| C35 | C37 | H35 | H36 | 118.3° | 120.0° |
| C35 | C37 | C38 | O6 | 34.8° | 10.1° |
| C35 | C37 | C38 | N6 | 145.8° | 169.9° |
| C37 | C35 | N5 | C27 | 125.7° | 15.0° |
| C37 | C35 | C36 | N7 | 40.4° | 26.9° |
| H34 | C35 | C36 | O5 | 101.5° | 86.7° |
| H34 | C35 | C37 | C38 | 178.3° | 58.6° |
| H34 | C35 | C37 | H35 | 61.1° | 61.4° |
| H34 | C35 | C37 | H36 | 57.8° | 178.6° |
| H34 | C35 | N5 | C27 | 8.8° | 105.2° |
| H34 | C35 | C36 | N7 | 77.5° | 93.3° |
| O5 | C36 | N7 | C39 | 2.1° | 0.1° |
| O5 | C36 | N7 | H39 | 177.9° | 179.9° |
| C38 | C37 | H35 | H36 | 118.2° | 120.0° |
| C37 | C38 | O6 | N6 | 179.5° | 180.0° |
| C37 | C38 | N6 | H37 | 179.5° | 0.0° |
| C37 | C38 | N6 | H38 | 0.5° | 180.0° |
| H35 | C37 | C38 | O6 | 85.8° | 109.9° |
| H35 | C37 | C38 | N6 | 93.7° | 70.1° |
| H36 | C37 | C38 | O6 | 155.3° | 130.1° |
| H36 | C37 | C38 | N6 | 25.2° | 49.9° |
| O6 | C38 | N6 | H37 | 0.0° | 180.0° |
| O6 | C38 | N6 | H38 | 180.0° | 0.0° |
| C38 | N6 | H37 | H38 | 180.0° | 179.9° |
| C39 | N7 | H39 | C36 | 180.0° | 180.0° |
| N7 | C39 | C40 | C41 | 123.1° | 119.8° |
| N7 | C39 | C40 | H40 | 120.8° | 119.8° |
| N7 | C39 | C41 | H40 | 117.8° | 120.3° |
| N7 | C39 | C40 | O7 | 170.2° | 31.5° |
| N7 | C39 | C41 | C42 | 64.1° | 65.0° |
| N7 | C39 | C41 | H41 | 56.6° | 55.0° |
| N7 | C39 | C41 | H42 | 175.3° | 175.0° |
| N7 | C39 | C40 | N9 | 10.3° | 148.5° |
| H39 | N7 | C39 | C40 | 109.4° | 36.4° |
| H39 | N7 | C39 | C41 | 13.0° | 83.4° |
| H39 | N7 | C39 | H40 | 130.3° | 156.2° |
| C40 | C39 | C41 | H40 | 116.1° | 120.3° |
| C39 | C40 | O7 | N9 | 179.5° | 179.9° |
| C40 | C39 | C41 | C42 | 169.9° | 175.5° |
| C40 | C39 | C41 | H41 | 69.5° | 64.4° |
| C40 | C39 | C41 | H42 | 49.3° | 55.6° |
| C39 | C40 | N9 | C45 | 177.9° | 179.6° |
| C39 | C40 | N9 | H52 | 2.1° | 0.4° |
| C40 | C39 | N7 | C36 | 70.6° | 143.6° |
| C41 | C39 | C40 | O7 | 66.7° | 88.3° |
| C39 | C41 | C42 | H41 | 120.6° | 120.0° |
| C39 | C41 | C42 | H42 | 120.6° | 120.0° |
| C39 | C41 | H41 | H42 | 118.1° | 120.0° |
| C39 | C41 | C42 | C43 | 171.6° | 180.0° |
| C39 | C41 | C42 | H43 | 51.3° | 60.0° |
| C39 | C41 | C42 | H44 | 68.1° | 60.0° |
| C41 | C39 | N7 | C36 | 167.0° | 96.6° |
| C41 | C39 | C40 | N9 | 112.8° | 91.7° |
| H40 | C39 | C40 | O7 | 49.4° | 151.3° |
| H40 | C39 | C41 | C42 | 53.7° | 55.2° |
| H40 | C39 | C41 | H41 | 174.4° | 175.3° |
| H40 | C39 | C41 | H42 | 66.9° | 64.7° |
| H40 | C39 | N7 | C36 | 49.7° | 23.8° |
| H40 | C39 | C40 | N9 | 131.1° | 28.6° |
| O7 | C40 | N9 | C45 | 1.6° | 0.4° |
| O7 | C40 | N9 | H52 | 178.4° | 179.5° |
| C42 | C41 | H41 | H42 | 118.1° | 120.0° |
| C41 | C42 | C43 | H43 | 120.2° | 120.0° |
| C41 | C42 | C43 | H44 | 120.3° | 120.0° |
| C41 | C42 | H43 | H44 | 119.2° | 120.0° |
| C41 | C42 | C43 | C44 | 179.7° | 180.0° |
| C41 | C42 | C43 | H45 | 59.5° | 60.0° |
| C41 | C42 | C43 | H46 | 60.1° | 60.0° |
| H41 | C41 | C42 | C43 | 67.8° | 60.0° |
| H41 | C41 | C42 | H43 | 172.0° | 180.0° |
| H41 | C41 | C42 | H44 | 52.5° | 60.0° |
| H42 | C41 | C42 | C43 | 51.0° | 60.0° |
| H42 | C41 | C42 | H43 | 69.3° | 60.0° |
| H42 | C41 | C42 | H44 | 171.2° | 180.0° |
| C43 | C42 | H43 | H44 | 119.2° | 120.0° |
| C42 | C43 | C44 | H45 | 120.2° | 120.1° |
| C42 | C43 | C44 | H46 | 120.2° | 120.0° |
| C42 | C43 | H45 | H46 | 119.3° | 120.0° |
| C42 | C43 | C44 | N8 | 177.7° | 180.0° |
| C42 | C43 | C44 | H47 | 57.3° | 59.9° |
| C42 | C43 | C44 | H48 | 62.0° | 60.0° |
| H43 | C42 | C43 | C44 | 60.1° | 60.0° |
| H43 | C42 | C43 | H45 | 179.7° | 180.0° |
| H43 | C42 | C43 | H46 | 60.1° | 60.0° |
| H44 | C42 | C43 | C44 | 59.4° | 60.0° |
| H44 | C42 | C43 | H45 | 60.8° | 60.0° |
| H44 | C42 | C43 | H46 | 179.6° | 180.0° |
| C44 | C43 | H45 | H46 | 119.3° | 120.0° |
| C43 | C44 | N8 | H47 | 120.3° | 120.1° |
| C43 | C44 | N8 | H48 | 120.3° | 120.0° |
| C43 | C44 | H47 | H48 | 119.0° | 120.0° |
| C43 | C44 | N8 | H49 | 180.0° | 60.0° |
| C43 | C44 | N8 | H50 | 60.0° | 60.0° |
| C43 | C44 | N8 | H51 | 60.0° | 179.9° |
| H45 | C43 | C44 | N8 | 62.1° | 60.0° |
| H45 | C43 | C44 | H47 | 177.5° | 180.0° |
| H45 | C43 | C44 | H48 | 58.2° | 60.0° |
| H46 | C43 | C44 | N8 | 57.5° | 60.0° |
| H46 | C43 | C44 | H47 | 62.9° | 60.0° |
| H46 | C43 | C44 | H48 | 177.8° | 180.0° |
| N8 | C44 | H47 | H48 | 119.0° | 120.0° |
| C44 | N8 | H49 | H50 | 120.0° | 120.0° |
| C44 | N8 | H49 | H51 | 120.0° | 119.9° |
| C44 | N8 | H50 | H51 | 120.0° | 120.0° |
| H47 | C44 | N8 | H49 | 59.6° | 179.9° |
| H47 | C44 | N8 | H50 | 179.7° | 60.1° |
| H47 | C44 | N8 | H51 | 60.3° | 60.0° |
| H48 | C44 | N8 | H49 | 59.7° | 60.0° |
| H48 | C44 | N8 | H50 | 60.4° | 180.0° |
| H48 | C44 | N8 | H51 | 179.7° | 59.9° |
| H49 | N8 | H50 | H51 | 120.0° | 120.0° |
| C45 | N9 | H52 | C40 | 180.0° | 179.9° |
| N9 | C45 | C46 | C47 | 121.6° | 119.9° |
| N9 | C45 | C46 | H53 | 120.7° | 119.9° |
| N9 | C45 | C47 | H53 | 119.2° | 120.2° |
| N9 | C45 | C46 | O8 | 141.6° | 22.8° |
| N9 | C45 | C47 | C48 | 54.5° | 175.0° |
| N9 | C45 | C47 | H54 | 66.1° | 64.9° |
| N9 | C45 | C47 | H55 | 175.1° | 55.1° |
| N9 | C45 | C46 | N10 | 38.9° | 157.1° |
| H52 | N9 | C45 | C46 | 67.6° | 33.2° |
| H52 | N9 | C45 | C47 | 53.5° | 153.1° |
| H52 | N9 | C45 | H53 | 172.2° | 86.7° |
| C46 | C45 | C47 | H53 | 117.8° | 120.2° |
| C45 | C46 | O8 | N10 | 179.5° | 180.0° |
| C46 | C45 | C47 | C48 | 177.5° | 55.4° |
| C46 | C45 | C47 | H54 | 56.9° | 175.4° |
| C46 | C45 | C47 | H55 | 61.9° | 64.5° |
| C45 | C46 | N10 | C54 | 178.0° | 179.4° |
| C45 | C46 | N10 | H61 | 2.0° | 0.6° |
| C46 | C45 | N9 | C40 | 112.4° | 146.8° |
| C47 | C45 | C46 | O8 | 96.8° | 142.7° |
| C45 | C47 | C48 | H54 | 120.6° | 120.0° |
| C45 | C47 | C48 | H55 | 120.6° | 120.0° |
| C45 | C47 | H54 | H55 | 118.1° | 120.0° |
| C45 | C47 | C48 | C49 | 72.8° | 68.1° |
| C45 | C47 | C48 | C50 | 107.5° | 112.2° |
| C47 | C45 | N9 | C40 | 126.5° | 26.9° |
| C47 | C45 | C46 | N10 | 82.7° | 37.3° |
| H53 | C45 | C46 | O8 | 20.9° | 97.1° |
| H53 | C45 | C47 | C48 | 64.7° | 64.8° |
| H53 | C45 | C47 | H54 | 174.7° | 55.2° |
| H53 | C45 | C47 | H55 | 55.9° | 175.3° |
| H53 | C45 | N9 | C40 | 7.8° | 93.3° |
| H53 | C45 | C46 | N10 | 159.6° | 83.0° |
| O8 | C46 | N10 | C54 | 1.5° | 0.6° |
| O8 | C46 | N10 | H61 | 178.5° | 179.4° |
| C48 | C47 | H54 | H55 | 118.2° | 120.0° |
| C47 | C48 | C49 | C50 | 179.7° | 179.7° |
| C47 | C48 | C49 | C51 | 179.5° | 180.0° |
| C47 | C48 | C49 | H56 | 0.5° | 0.0° |
| C47 | C48 | C50 | C52 | 179.3° | 180.0° |
| C47 | C48 | C50 | H57 | 0.7° | 0.1° |
| H54 | C47 | C48 | C49 | 166.6° | 52.0° |
| H54 | C47 | C48 | C50 | 13.1° | 127.7° |
| H55 | C47 | C48 | C49 | 47.8° | 171.9° |
| H55 | C47 | C48 | C50 | 131.9° | 7.8° |
| C48 | C49 | C51 | H56 | 180.0° | 180.0° |
| C49 | C48 | C50 | C52 | 0.4° | 0.3° |
| C49 | C48 | C50 | H57 | 179.6° | 179.8° |
| C48 | C49 | C51 | C53 | 0.3° | 0.0° |
| C48 | C49 | C51 | H58 | 179.7° | 180.0° |
| C50 | C48 | C49 | C51 | 0.2° | 0.3° |
| C50 | C48 | C49 | H56 | 179.8° | 179.7° |
| C48 | C50 | C52 | H57 | 180.0° | 180.0° |
| C48 | C50 | C52 | C53 | 0.1° | 0.0° |
| C48 | C50 | C52 | H59 | 179.9° | 180.0° |
| C49 | C51 | C53 | H58 | 180.0° | 180.0° |
| C49 | C51 | C53 | C52 | 0.6° | 0.3° |
| C49 | C51 | C53 | O9 | 179.4° | 180.0° |
| H56 | C49 | C51 | C53 | 179.7° | 180.0° |
| H56 | C49 | C51 | H58 | 0.3° | 0.0° |
| C50 | C52 | C53 | C51 | 0.4° | 0.3° |
| C50 | C52 | C53 | H59 | 180.0° | 180.0° |
| C50 | C52 | C53 | O9 | 179.6° | 180.0° |
| H57 | C50 | C52 | C53 | 179.9° | 179.9° |
| H57 | C50 | C52 | H59 | 0.1° | 0.1° |
| C51 | C53 | C52 | O9 | 180.0° | 179.7° |
| C51 | C53 | C52 | H59 | 179.6° | 179.7° |
| C51 | C53 | O9 | H60 | 180.0° | 90.0° |
| H58 | C51 | C53 | C52 | 179.4° | 179.7° |
| H58 | C51 | C53 | O9 | 0.6° | 0.0° |
| C52 | C53 | O9 | H60 | 0.1° | 89.8° |
| H59 | C52 | C53 | O9 | 0.5° | 0.0° |
| C54 | N10 | H61 | C46 | 180.0° | 180.0° |
| N10 | C54 | C55 | C56 | 125.1° | 119.9° |
| N10 | C54 | C55 | H62 | 117.8° | 119.8° |
| N10 | C54 | C56 | H62 | 117.1° | 120.2° |
| N10 | C54 | C55 | O10 | 32.5° | 25.8° |
| N10 | C54 | C56 | C57 | 81.5° | 59.9° |
| N10 | C54 | C56 | C58 | 154.8° | 60.0° |
| N10 | C54 | C56 | H63 | 36.8° | 180.0° |
| N10 | C54 | C55 | N11 | 146.8° | 154.2° |
| H61 | N10 | C54 | C55 | 46.2° | 41.1° |
| H61 | N10 | C54 | C56 | 80.0° | 78.8° |
| H61 | N10 | C54 | H62 | 163.5° | 160.9° |
| C55 | C54 | C56 | H62 | 117.2° | 120.2° |
| C54 | C55 | O10 | N11 | 179.2° | 180.0° |
| C55 | C54 | C56 | C57 | 44.2° | 179.5° |
| C55 | C54 | C56 | C58 | 79.6° | 59.6° |
| C55 | C54 | C56 | H63 | 162.5° | 60.4° |
| C54 | C55 | N11 | C59 | 175.9° | 179.5° |
| C54 | C55 | N11 | H70 | 4.1° | 0.6° |
| C55 | C54 | N10 | C46 | 133.8° | 138.9° |
| C56 | C54 | C55 | O10 | 92.6° | 94.1° |
| C54 | C56 | C57 | C58 | 124.0° | 119.9° |
| C54 | C56 | C57 | H63 | 117.8° | 120.1° |
| C54 | C56 | C58 | H63 | 117.9° | 120.0° |
| C54 | C56 | C57 | H64 | 180.0° | 59.9° |
| C54 | C56 | C57 | H65 | 60.0° | 180.0° |
| C54 | C56 | C57 | H66 | 60.0° | 60.0° |
| C54 | C56 | C58 | H67 | 180.0° | 60.1° |
| C54 | C56 | C58 | H68 | 60.0° | 180.0° |
| C54 | C56 | C58 | H69 | 60.0° | 60.0° |
| C56 | C54 | N10 | C46 | 100.0° | 101.2° |
| C56 | C54 | C55 | N11 | 88.1° | 85.9° |
| H62 | C54 | C55 | O10 | 150.3° | 145.6° |
| H62 | C54 | C56 | C57 | 161.4° | 60.2° |
| H62 | C54 | C56 | C58 | 37.7° | 179.8° |
| H62 | C54 | C56 | H63 | 80.3° | 59.8° |
| H62 | C54 | N10 | C46 | 16.5° | 19.1° |
| H62 | C54 | C55 | N11 | 29.0° | 34.4° |
| O10 | C55 | N11 | C59 | 4.8° | 0.6° |
| O10 | C55 | N11 | H70 | 175.2° | 179.4° |
| C57 | C56 | C58 | H63 | 118.5° | 120.0° |
| C56 | C57 | H64 | H65 | 120.0° | 120.0° |
| C56 | C57 | H64 | H66 | 120.0° | 119.9° |
| C56 | C57 | H65 | H66 | 120.0° | 119.9° |
| C57 | C56 | C58 | H67 | 56.4° | 180.0° |
| C57 | C56 | C58 | H68 | 63.6° | 60.0° |
| C57 | C56 | C58 | H69 | 176.4° | 60.0° |
| C58 | C56 | C57 | H64 | 56.0° | 60.0° |
| C58 | C56 | C57 | H65 | 176.0° | 60.0° |
| C58 | C56 | C57 | H66 | 64.0° | 180.0° |
| C56 | C58 | H67 | H68 | 120.0° | 120.0° |
| C56 | C58 | H67 | H69 | 120.0° | 120.0° |
| C56 | C58 | H68 | H69 | 120.0° | 119.9° |
| H63 | C56 | C57 | H64 | 62.1° | 180.0° |
| H63 | C56 | C57 | H65 | 57.8° | 59.9° |
| H63 | C56 | C57 | H66 | 177.8° | 60.1° |
| H63 | C56 | C58 | H67 | 62.1° | 60.0° |
| H63 | C56 | C58 | H68 | 177.9° | 60.0° |
| H63 | C56 | C58 | H69 | 57.9° | 180.0° |
| H64 | C57 | H65 | H66 | 120.0° | 120.0° |
| H67 | C58 | H68 | H69 | 120.0° | 120.1° |
| C59 | N11 | H70 | C55 | 180.0° | 180.0° |
| N11 | C59 | C60 | C63 | 120.4° | 120.0° |
| N11 | C59 | C60 | H71 | 119.5° | 120.2° |
| N11 | C59 | C63 | H71 | 119.8° | 119.8° |
| N11 | C59 | C60 | C61 | 88.5° | 58.1° |
| N11 | C59 | C60 | H72 | 32.0° | 178.1° |
| N11 | C59 | C60 | H73 | 151.0° | 61.9° |
| N11 | C59 | C63 | O11 | 20.7° | 18.9° |
| N11 | C59 | C63 | N13 | 149.0° | 160.9° |
| H70 | N11 | C59 | C60 | 48.7° | 162.5° |
| H70 | N11 | C59 | C63 | 73.3° | 42.4° |
| H70 | N11 | C59 | H71 | 167.5° | 77.2° |
| C60 | C59 | C63 | H71 | 120.0° | 120.0° |
| C59 | C60 | C61 | H72 | 120.5° | 120.0° |
| C59 | C60 | C61 | H73 | 120.5° | 120.0° |
| C59 | C60 | H72 | H73 | 118.5° | 120.0° |
| C59 | C60 | C61 | C62 | 77.6° | 175.8° |
| C59 | C60 | C61 | H74 | 162.0° | 64.2° |
| C59 | C60 | C61 | H75 | 42.7° | 55.8° |
| C60 | C59 | C63 | O11 | 99.4° | 139.0° |
| C60 | C59 | N11 | C55 | 131.3° | 17.5° |
| C60 | C59 | C63 | N13 | 90.8° | 40.8° |
| C63 | C59 | C60 | C61 | 151.1° | 61.9° |
| C63 | C59 | C60 | H72 | 88.4° | 58.2° |
| C63 | C59 | C60 | H73 | 30.7° | 178.1° |
| C59 | C63 | O11 | N13 | 169.1° | 179.8° |
| C59 | C63 | N13 | C64 | 163.1° | 177.6° |
| C59 | C63 | N13 | H80 | 16.9° | 2.4° |
| C63 | C59 | N11 | C55 | 106.7° | 137.6° |
| H71 | C59 | C60 | C61 | 31.0° | 178.3° |
| H71 | C59 | C60 | H72 | 151.5° | 61.7° |
| H71 | C59 | C60 | H73 | 89.4° | 58.3° |
| H71 | C59 | C63 | O11 | 140.6° | 101.0° |
| H71 | C59 | N11 | C55 | 12.5° | 102.8° |
| H71 | C59 | C63 | N13 | 29.2° | 79.2° |
| C61 | C60 | H72 | H73 | 118.5° | 120.0° |
| C60 | C61 | C62 | H74 | 120.4° | 120.1° |
| C60 | C61 | C62 | H75 | 120.4° | 120.0° |
| C60 | C61 | H74 | H75 | 118.9° | 120.0° |
| C60 | C61 | C62 | N12 | 163.0° | 180.0° |
| C60 | C61 | C62 | H76 | 76.6° | 60.0° |
| C60 | C61 | C62 | H77 | 42.6° | 60.0° |
| H72 | C60 | C61 | C62 | 42.8° | 55.8° |
| H72 | C60 | C61 | H74 | 77.5° | 175.9° |
| H72 | C60 | C61 | H75 | 163.2° | 64.2° |
| H73 | C60 | C61 | C62 | 161.9° | 64.2° |
| H73 | C60 | C61 | H74 | 41.5° | 55.8° |
| H73 | C60 | C61 | H75 | 77.8° | 175.8° |
| C62 | C61 | H74 | H75 | 118.8° | 119.9° |
| C61 | C62 | N12 | H76 | 120.4° | 120.0° |
| C61 | C62 | N12 | H77 | 120.4° | 120.0° |
| C61 | C62 | H76 | H77 | 118.9° | 120.0° |
| C61 | C62 | N12 | H78 | 180.0° | 56.0° |
| C61 | C62 | N12 | H79 | 60.0° | 180.0° |
| H74 | C61 | C62 | N12 | 42.6° | 59.9° |
| H74 | C61 | C62 | H76 | 163.0° | 180.0° |
| H74 | C61 | C62 | H77 | 77.7° | 60.0° |
| H75 | C61 | C62 | N12 | 76.6° | 60.0° |
| H75 | C61 | C62 | H76 | 43.7° | 60.0° |
| H75 | C61 | C62 | H77 | 163.0° | 179.9° |
| N12 | C62 | H76 | H77 | 118.9° | 119.9° |
| C62 | N12 | H78 | H79 | 120.0° | 124.0° |
| H76 | C62 | N12 | H78 | 59.6° | 64.0° |
| H76 | C62 | N12 | H79 | 179.7° | 59.9° |
| H77 | C62 | N12 | H78 | 59.7° | 176.0° |
| H77 | C62 | N12 | H79 | 60.4° | 60.0° |
| O11 | C63 | N13 | C64 | 6.3° | 2.2° |
| O11 | C63 | N13 | H80 | 173.7° | 177.8° |
| C64 | N13 | H80 | C63 | 180.0° | 180.0° |
| N13 | C64 | C65 | C66 | 122.8° | 119.7° |
| N13 | C64 | C65 | H81 | 118.9° | 119.7° |
| N13 | C64 | C66 | H81 | 117.6° | 120.6° |
| N13 | C64 | C65 | O12 | 18.6° | 16.2° |
| N13 | C64 | C66 | C67 | 127.2° | 65.0° |
| N13 | C64 | C66 | H82 | 6.9° | 55.0° |
| N13 | C64 | C66 | H83 | 112.5° | 175.0° |
| N13 | C64 | C65 | N1 | 162.0° | 163.8° |
| H80 | N13 | C64 | C65 | 63.3° | 45.5° |
| H80 | N13 | C64 | C66 | 61.2° | 74.2° |
| H80 | N13 | C64 | H81 | 178.3° | 165.2° |
| C65 | C64 | C66 | H81 | 118.2° | 120.7° |
| C64 | C65 | O12 | N1 | 179.4° | 179.9° |
| C65 | C64 | C66 | C67 | 108.6° | 176.3° |
| C65 | C64 | C66 | H82 | 131.1° | 63.8° |
| C65 | C64 | C66 | H83 | 11.7° | 56.3° |
| C65 | C64 | N13 | C63 | 116.7° | 134.5° |
| C66 | C64 | C65 | O12 | 141.4° | 103.4° |
| C64 | C66 | C67 | H82 | 120.3° | 120.0° |
| C64 | C66 | C67 | H83 | 120.3° | 120.0° |
| C64 | C66 | H82 | H83 | 119.1° | 120.0° |
| C64 | C66 | C67 | C68 | 73.3° | 175.0° |
| C64 | C66 | C67 | C69 | 164.8° | 65.0° |
| C64 | C66 | C67 | H84 | 46.3° | 55.0° |
| C66 | C64 | C65 | N1 | 39.2° | 76.5° |
| C66 | C64 | N13 | C63 | 118.7° | 105.8° |
| H81 | C64 | C65 | O12 | 100.3° | 135.9° |
| H81 | C64 | C66 | C67 | 9.6° | 55.6° |
| H81 | C64 | C66 | H82 | 110.7° | 175.6° |
| H81 | C64 | C66 | H83 | 129.9° | 64.4° |
| H81 | C64 | C65 | N1 | 79.1° | 44.2° |
| H81 | C64 | N13 | C63 | 1.6° | 14.8° |
| C67 | C66 | H82 | H83 | 119.1° | 120.0° |
| C66 | C67 | C68 | C69 | 121.2° | 120.0° |
| C66 | C67 | C68 | H84 | 119.6° | 120.0° |
| C66 | C67 | C69 | H84 | 118.2° | 120.0° |
| C66 | C67 | C68 | H85 | 180.0° | 60.0° |
| C66 | C67 | C68 | H86 | 60.0° | 180.0° |
| C66 | C67 | C68 | H87 | 60.0° | 60.0° |
| C66 | C67 | C69 | H88 | 180.0° | 180.0° |
| C66 | C67 | C69 | H89 | 60.0° | 60.0° |
| C66 | C67 | C69 | H90 | 60.0° | 60.0° |
| H82 | C66 | C67 | C68 | 47.0° | 55.0° |
| H82 | C66 | C67 | C69 | 74.9° | 175.0° |
| H82 | C66 | C67 | H84 | 166.6° | 65.0° |
| H83 | C66 | C67 | C68 | 166.4° | 65.0° |
| H83 | C66 | C67 | C69 | 44.5° | 55.0° |
| H83 | C66 | C67 | H84 | 74.1° | 175.0° |
| C68 | C67 | C69 | H84 | 118.8° | 120.0° |
| C67 | C68 | H85 | H86 | 120.0° | 120.0° |
| C67 | C68 | H85 | H87 | 120.0° | 120.0° |
| C67 | C68 | H86 | H87 | 120.0° | 120.0° |
| C68 | C67 | C69 | H88 | 57.0° | 60.0° |
| C68 | C67 | C69 | H89 | 63.0° | 60.0° |
| C68 | C67 | C69 | H90 | 177.0° | 180.0° |
| C69 | C67 | C68 | H85 | 58.8° | 60.0° |
| C69 | C67 | C68 | H86 | 178.8° | 60.0° |
| C69 | C67 | C68 | H87 | 61.2° | 180.0° |
| C67 | C69 | H88 | H89 | 120.0° | 120.0° |
| C67 | C69 | H88 | H90 | 120.0° | 120.0° |
| C67 | C69 | H89 | H90 | 120.0° | 120.1° |
| H84 | C67 | C68 | H85 | 60.3° | 180.0° |
| H84 | C67 | C68 | H86 | 59.7° | 60.0° |
| H84 | C67 | C68 | H87 | 179.7° | 60.0° |
| H84 | C67 | C69 | H88 | 61.8° | 60.0° |
| H84 | C67 | C69 | H89 | 178.2° | 180.0° |
| H84 | C67 | C69 | H90 | 58.2° | 60.0° |
| H85 | C68 | H86 | H87 | 120.0° | 120.0° |
| H88 | C69 | H89 | H90 | 120.0° | 120.0° |
