PRD_000874
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.46Å | 1.45Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| N2 | C3 | sing | 1.46Å | 1.46Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| C5 | O3 | sing | 1.43Å | 1.42Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| O3 | H8 | sing | 0.97Å | 0.95Å | |
| N3 | C6 | sing | 1.46Å | 1.46Å | |
| N3 | H9 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.50Å | 1.53Å | |
| C6 | C8 | sing | 1.53Å | 1.53Å | |
| C6 | H10 | sing | 1.10Å | 1.10Å | |
| C7 | O4 | doub | 1.21Å | 1.23Å | |
| C8 | S1 | sing | 1.81Å | 1.82Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| N4 | C9 | sing | 1.46Å | 1.46Å | |
| N4 | H13 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | O5 | doub | 1.21Å | 1.23Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C15 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C17 | H21 | sing | 1.08Å | 1.08Å | |
| N5 | C18 | sing | 1.47Å | 1.45Å | |
| N5 | H22 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.50Å | 1.52Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | O6 | doub | 1.23Å | 1.23Å | |
| N6 | C20 | sing | 1.45Å | 1.46Å | |
| N6 | H25 | sing | 0.99Å | 1.00Å | |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C20 | C22 | sing | 1.53Å | 1.52Å | |
| C20 | H26 | sing | 1.10Å | 1.10Å | |
| C21 | O7 | doub | 1.21Å | 1.23Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| N7 | C23 | sing | 1.46Å | 1.46Å | |
| N7 | H30 | sing | 0.98Å | 1.00Å | |
| C23 | C24 | sing | 1.51Å | 1.53Å | |
| C23 | C25 | sing | 1.53Å | 1.53Å | |
| C23 | H31 | sing | 1.08Å | 1.10Å | |
| C24 | O8 | doub | 1.21Å | 1.23Å | |
| C25 | C26 | sing | 1.51Å | 1.50Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | H34 | sing | 1.08Å | 1.08Å | |
| C28 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | H35 | sing | 1.08Å | 1.08Å | |
| C29 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | H36 | sing | 1.08Å | 1.08Å | |
| C30 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | H37 | sing | 1.08Å | 1.08Å | |
| C31 | H38 | sing | 1.08Å | 1.08Å | |
| N8 | C32 | sing | 1.46Å | 1.46Å | |
| N8 | H39 | sing | 0.98Å | 1.00Å | |
| C32 | C33 | sing | 1.51Å | 1.53Å | |
| C32 | C34 | sing | 1.53Å | 1.53Å | |
| C32 | H40 | sing | 1.10Å | 1.10Å | |
| C33 | O9 | doub | 1.21Å | 1.23Å | |
| C34 | S2 | sing | 1.81Å | 1.82Å | |
| C34 | H41 | sing | 1.09Å | 1.10Å | |
| C34 | H42 | sing | 1.09Å | 1.10Å | |
| N9 | C35 | sing | 1.47Å | 1.46Å | |
| N9 | H43 | sing | 0.97Å | 1.00Å | |
| C35 | C36 | sing | 1.51Å | 1.53Å | |
| C35 | C37 | sing | 1.53Å | 1.53Å | |
| C35 | H44 | sing | 1.09Å | 1.10Å | |
| C36 | O10 | doub | 1.21Å | 1.23Å | |
| C37 | C38 | sing | 1.51Å | 1.50Å | |
| C37 | H45 | sing | 1.09Å | 1.10Å | |
| C37 | H46 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| C39 | C41 | sing | 1.38Å | 1.38Å | Aromatic |
| C39 | H47 | sing | 1.08Å | 1.08Å | |
| C40 | C42 | doub | 1.38Å | 1.38Å | Aromatic |
| C40 | H48 | sing | 1.08Å | 1.08Å | |
| C41 | C43 | doub | 1.38Å | 1.38Å | Aromatic |
| C41 | H49 | sing | 1.08Å | 1.08Å | |
| C42 | C43 | sing | 1.38Å | 1.38Å | Aromatic |
| C42 | H50 | sing | 1.08Å | 1.08Å | |
| C43 | H51 | sing | 1.08Å | 1.08Å | |
| N10 | C44 | sing | 1.47Å | 1.46Å | |
| N10 | H52 | sing | 0.97Å | 1.00Å | |
| C44 | C45 | sing | 1.51Å | 1.53Å | |
| C44 | C46 | sing | 1.53Å | 1.53Å | |
| C44 | H53 | sing | 1.09Å | 1.10Å | |
| C45 | O11 | doub | 1.21Å | 1.23Å | |
| C46 | C47 | sing | 1.53Å | 1.52Å | |
| C46 | H54 | sing | 1.09Å | 1.10Å | |
| C46 | H55 | sing | 1.09Å | 1.10Å | |
| C47 | C48 | sing | 1.53Å | 1.52Å | |
| C47 | H56 | sing | 1.09Å | 1.10Å | |
| C47 | H57 | sing | 1.09Å | 1.10Å | |
| C48 | N11 | sing | 1.46Å | 1.46Å | |
| C48 | H58 | sing | 1.09Å | 1.10Å | |
| C48 | H59 | sing | 1.09Å | 1.10Å | |
| N11 | C49 | sing | 1.37Å | 1.33Å | |
| N11 | H60 | sing | 0.97Å | 1.00Å | |
| C49 | N12 | sing | 1.33Å | 1.33Å | |
| C49 | N13 | doub | 1.33Å | 1.33Å | |
| N12 | H61 | sing | 0.97Å | 1.00Å | |
| N12 | H62 | sing | 0.97Å | 1.00Å | |
| N13 | H63 | sing | 0.97Å | 1.00Å | |
| N13 | H64 | sing | 0.97Å | 1.00Å | |
| N14 | C50 | sing | 1.47Å | 1.46Å | |
| N14 | H65 | sing | 0.97Å | 1.00Å | |
| C50 | C51 | sing | 1.50Å | 1.53Å | |
| C50 | C52 | sing | 1.53Å | 1.53Å | |
| C50 | H66 | sing | 1.09Å | 1.10Å | |
| C51 | O12 | doub | 1.22Å | 1.23Å | |
| C52 | C53 | sing | 1.53Å | 1.52Å | |
| C52 | H67 | sing | 1.09Å | 1.10Å | |
| C52 | H68 | sing | 1.09Å | 1.10Å | |
| C53 | C54 | sing | 1.53Å | 1.52Å | |
| C53 | H69 | sing | 1.09Å | 1.10Å | |
| C53 | H70 | sing | 1.09Å | 1.10Å | |
| C54 | N15 | sing | 1.47Å | 1.46Å | |
| C54 | H71 | sing | 1.09Å | 1.10Å | |
| C54 | H72 | sing | 1.09Å | 1.10Å | |
| N15 | C55 | sing | 1.37Å | 1.33Å | |
| N15 | H73 | sing | 0.97Å | 1.00Å | |
| C55 | N16 | sing | 1.33Å | 1.33Å | |
| C55 | N17 | doub | 1.33Å | 1.33Å | |
| N16 | H74 | sing | 0.97Å | 1.00Å | |
| N16 | H75 | sing | 0.97Å | 1.00Å | |
| N17 | H76 | sing | 0.97Å | 1.00Å | |
| N17 | H77 | sing | 0.97Å | 1.00Å | |
| N18 | C56 | sing | 1.47Å | 1.46Å | |
| N18 | H78 | sing | 0.97Å | 1.00Å | |
| C56 | C57 | sing | 1.50Å | 1.53Å | |
| C56 | C58 | sing | 1.53Å | 1.53Å | |
| C56 | H79 | sing | 1.10Å | 1.10Å | |
| C57 | O13 | doub | 1.22Å | 1.23Å | |
| C58 | C59 | sing | 1.51Å | 1.52Å | |
| C58 | H80 | sing | 1.09Å | 1.10Å | |
| C58 | H81 | sing | 1.09Å | 1.10Å | |
| C59 | O14 | doub | 1.21Å | 1.25Å | |
| C59 | O15 | sing | 1.34Å | 1.25Å | |
| O15 | H82 | sing | 0.97Å | 0.95Å | |
| N1 | C57 | sing | 1.34Å | 1.34Å | |
| C2 | N2 | sing | 1.35Å | 1.33Å | |
| C4 | N3 | sing | 1.35Å | 1.33Å | |
| C7 | N4 | sing | 1.35Å | 1.33Å | |
| S1 | S2 | sing | 2.05Å | 1.98Å | |
| C10 | N5 | sing | 1.35Å | 1.33Å | |
| C19 | N6 | sing | 1.33Å | 1.33Å | |
| C21 | N7 | sing | 1.35Å | 1.33Å | |
| C24 | N8 | sing | 1.34Å | 1.33Å | |
| C33 | N9 | sing | 1.35Å | 1.33Å | |
| C36 | N10 | sing | 1.35Å | 1.33Å | |
| C45 | N14 | sing | 1.35Å | 1.33Å | |
| C51 | N18 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 116.8° | 118.3° |
| N1 | C1 | C2 | 112.5° | 110.2° |
| N1 | C1 | H2 | 108.7° | 109.8° |
| N1 | C1 | H3 | 108.7° | 109.2° |
| C1 | N1 | C57 | 126.3° | 121.0° |
| H1 | N1 | C57 | 116.9° | 120.7° |
| C2 | C1 | H2 | 108.7° | 109.3° |
| C2 | C1 | H3 | 108.7° | 109.2° |
| C1 | C2 | O1 | 120.7° | 119.8° |
| C1 | C2 | N2 | 116.3° | 119.2° |
| H2 | C1 | H3 | 109.5° | 109.2° |
| O1 | C2 | N2 | 123.0° | 121.0° |
| C3 | N2 | H4 | 119.2° | 119.6° |
| N2 | C3 | C4 | 110.9° | 109.2° |
| N2 | C3 | C5 | 110.4° | 109.7° |
| N2 | C3 | H5 | 109.1° | 109.9° |
| C3 | N2 | C2 | 121.6° | 121.4° |
| H4 | N2 | C2 | 119.2° | 119.0° |
| C4 | C3 | C5 | 109.9° | 109.1° |
| C4 | C3 | H5 | 108.3° | 109.3° |
| C3 | C4 | O2 | 120.9° | 119.5° |
| C3 | C4 | N3 | 116.2° | 120.1° |
| C5 | C3 | H5 | 108.2° | 109.7° |
| C3 | C5 | O3 | 111.1° | 109.4° |
| C3 | C5 | H6 | 109.1° | 109.5° |
| C3 | C5 | H7 | 109.1° | 109.4° |
| O2 | C4 | N3 | 122.9° | 120.4° |
| O3 | C5 | H6 | 109.1° | 109.5° |
| O3 | C5 | H7 | 109.1° | 109.5° |
| C5 | O3 | H8 | 109.5° | 114.0° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| C6 | N3 | H9 | 119.2° | 119.3° |
| N3 | C6 | C7 | 111.0° | 110.3° |
| N3 | C6 | C8 | 110.3° | 110.0° |
| N3 | C6 | H10 | 109.2° | 108.6° |
| C6 | N3 | C4 | 121.7° | 121.7° |
| H9 | N3 | C4 | 119.2° | 118.9° |
| C7 | C6 | C8 | 109.9° | 110.4° |
| C7 | C6 | H10 | 108.3° | 108.8° |
| C6 | C7 | O4 | 120.8° | 119.9° |
| C6 | C7 | N4 | 116.2° | 120.3° |
| C8 | C6 | H10 | 108.2° | 108.6° |
| C6 | C8 | S1 | 114.0° | 109.3° |
| C6 | C8 | H11 | 108.3° | 109.9° |
| C6 | C8 | H12 | 108.3° | 109.7° |
| O4 | C7 | N4 | 123.0° | 119.8° |
| S1 | C8 | H11 | 108.3° | 109.3° |
| S1 | C8 | H12 | 108.3° | 109.6° |
| C8 | S1 | S2 | 110.2° | 103.0° |
| H11 | C8 | H12 | 109.4° | 109.1° |
| C9 | N4 | H13 | 119.2° | 119.9° |
| N4 | C9 | C10 | 110.9° | 110.0° |
| N4 | C9 | C11 | 110.3° | 109.5° |
| N4 | C9 | H14 | 109.1° | 109.5° |
| C9 | N4 | C7 | 121.6° | 120.2° |
| H13 | N4 | C7 | 119.2° | 119.9° |
| C10 | C9 | C11 | 110.0° | 109.1° |
| C10 | C9 | H14 | 108.3° | 109.4° |
| C9 | C10 | O5 | 120.8° | 119.9° |
| C9 | C10 | N5 | 116.1° | 120.1° |
| C11 | C9 | H14 | 108.2° | 109.4° |
| C9 | C11 | C12 | 113.6° | 109.5° |
| C9 | C11 | H15 | 108.4° | 109.5° |
| C9 | C11 | H16 | 108.5° | 109.4° |
| O5 | C10 | N5 | 123.0° | 120.1° |
| C12 | C11 | H15 | 108.4° | 109.5° |
| C12 | C11 | H16 | 108.4° | 109.5° |
| C11 | C12 | C13 | 120.6° | 120.0° |
| C11 | C12 | C14 | 120.6° | 120.0° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| C13 | C12 | C14 | 118.9° | 120.0° |
| C12 | C13 | C15 | 120.8° | 120.0° |
| C12 | C13 | H17 | 119.6° | 120.0° |
| C12 | C14 | C16 | 120.7° | 120.0° |
| C12 | C14 | H18 | 119.6° | 120.0° |
| C15 | C13 | H17 | 119.6° | 120.0° |
| C13 | C15 | C17 | 119.9° | 120.0° |
| C13 | C15 | H19 | 120.1° | 120.0° |
| C16 | C14 | H18 | 119.7° | 120.1° |
| C14 | C16 | C17 | 119.9° | 120.1° |
| C14 | C16 | H20 | 120.1° | 120.0° |
| C17 | C15 | H19 | 120.1° | 120.0° |
| C15 | C17 | C16 | 120.0° | 120.0° |
| C15 | C17 | H21 | 120.0° | 120.0° |
| C17 | C16 | H20 | 120.1° | 119.9° |
| C16 | C17 | H21 | 120.0° | 120.0° |
| C18 | N5 | H22 | 119.7° | 119.4° |
| N5 | C18 | C19 | 112.6° | 109.4° |
| N5 | C18 | H23 | 108.7° | 108.6° |
| N5 | C18 | H24 | 108.7° | 110.0° |
| C18 | N5 | C10 | 120.6° | 120.8° |
| H22 | N5 | C10 | 119.7° | 119.8° |
| C19 | C18 | H23 | 108.7° | 109.2° |
| C19 | C18 | H24 | 108.7° | 111.1° |
| C18 | C19 | O6 | 120.7° | 117.6° |
| C18 | C19 | N6 | 116.3° | 124.7° |
| H23 | C18 | H24 | 109.5° | 108.5° |
| O6 | C19 | N6 | 123.0° | 117.7° |
| C20 | N6 | H25 | 119.2° | 116.8° |
| N6 | C20 | C21 | 111.2° | 109.3° |
| N6 | C20 | C22 | 110.3° | 111.7° |
| N6 | C20 | H26 | 108.9° | 109.7° |
| C20 | N6 | C19 | 121.6° | 126.7° |
| H25 | N6 | C19 | 119.2° | 116.6° |
| C21 | C20 | C22 | 110.4° | 109.0° |
| C21 | C20 | H26 | 108.0° | 108.3° |
| C20 | C21 | O7 | 120.9° | 119.0° |
| C20 | C21 | N7 | 116.2° | 119.9° |
| C22 | C20 | H26 | 108.0° | 108.8° |
| C20 | C22 | H27 | 109.5° | 109.4° |
| C20 | C22 | H28 | 109.5° | 109.5° |
| C20 | C22 | H29 | 109.4° | 109.4° |
| O7 | C21 | N7 | 122.9° | 121.1° |
| H27 | C22 | H28 | 109.4° | 109.5° |
| H27 | C22 | H29 | 109.5° | 109.4° |
| H28 | C22 | H29 | 109.5° | 109.5° |
| C23 | N7 | H30 | 119.2° | 118.6° |
| N7 | C23 | C24 | 110.9° | 108.7° |
| N7 | C23 | C25 | 110.3° | 109.6° |
| N7 | C23 | H31 | 109.1° | 110.1° |
| C23 | N7 | C21 | 121.6° | 121.6° |
| H30 | N7 | C21 | 119.2° | 119.8° |
| C24 | C23 | C25 | 109.9° | 108.5° |
| C24 | C23 | H31 | 108.3° | 109.6° |
| C23 | C24 | O8 | 120.9° | 118.6° |
| C23 | C24 | N8 | 116.1° | 119.4° |
| C25 | C23 | H31 | 108.2° | 110.2° |
| C23 | C25 | C26 | 113.5° | 109.5° |
| C23 | C25 | H32 | 108.5° | 109.5° |
| C23 | C25 | H33 | 108.4° | 109.5° |
| O8 | C24 | N8 | 123.0° | 122.1° |
| C26 | C25 | H32 | 108.4° | 109.5° |
| C26 | C25 | H33 | 108.4° | 109.5° |
| C25 | C26 | C27 | 120.6° | 120.0° |
| C25 | C26 | C28 | 120.6° | 120.0° |
| H32 | C25 | H33 | 109.5° | 109.4° |
| C27 | C26 | C28 | 118.8° | 120.0° |
| C26 | C27 | C29 | 120.6° | 120.0° |
| C26 | C27 | H34 | 119.7° | 119.9° |
| C26 | C28 | C30 | 120.8° | 120.0° |
| C26 | C28 | H35 | 119.6° | 120.0° |
| C29 | C27 | H34 | 119.7° | 120.0° |
| C27 | C29 | C31 | 120.0° | 120.0° |
| C27 | C29 | H36 | 120.0° | 120.0° |
| C30 | C28 | H35 | 119.6° | 120.0° |
| C28 | C30 | C31 | 119.8° | 120.0° |
| C28 | C30 | H37 | 120.1° | 120.0° |
| C31 | C29 | H36 | 120.0° | 120.0° |
| C29 | C31 | C30 | 120.0° | 120.0° |
| C29 | C31 | H38 | 120.0° | 120.0° |
| C31 | C30 | H37 | 120.1° | 120.0° |
| C30 | C31 | H38 | 120.0° | 120.0° |
| C32 | N8 | H39 | 119.2° | 117.9° |
| N8 | C32 | C33 | 111.0° | 109.2° |
| N8 | C32 | C34 | 110.3° | 111.8° |
| N8 | C32 | H40 | 109.1° | 109.1° |
| C32 | N8 | C24 | 121.6° | 124.0° |
| H39 | N8 | C24 | 119.2° | 118.1° |
| C33 | C32 | C34 | 109.9° | 109.0° |
| C33 | C32 | H40 | 108.2° | 108.5° |
| C32 | C33 | O9 | 120.9° | 119.8° |
| C32 | C33 | N9 | 116.2° | 119.4° |
| C34 | C32 | H40 | 108.2° | 109.1° |
| C32 | C34 | S2 | 114.2° | 109.7° |
| C32 | C34 | H41 | 108.3° | 110.1° |
| C32 | C34 | H42 | 108.3° | 109.2° |
| O9 | C33 | N9 | 122.9° | 120.9° |
| S2 | C34 | H41 | 108.3° | 110.0° |
| S2 | C34 | H42 | 108.3° | 109.1° |
| C34 | S2 | S1 | 102.5° | 103.1° |
| H41 | C34 | H42 | 109.5° | 108.6° |
| C35 | N9 | H43 | 119.1° | 119.2° |
| N9 | C35 | C36 | 110.9° | 108.8° |
| N9 | C35 | C37 | 110.4° | 109.3° |
| N9 | C35 | H44 | 109.2° | 109.7° |
| C35 | N9 | C33 | 121.7° | 121.1° |
| H43 | N9 | C33 | 119.2° | 119.7° |
| C36 | C35 | C37 | 109.9° | 109.6° |
| C36 | C35 | H44 | 108.3° | 109.6° |
| C35 | C36 | O10 | 120.9° | 119.4° |
| C35 | C36 | N10 | 116.2° | 120.7° |
| C37 | C35 | H44 | 108.2° | 109.7° |
| C35 | C37 | C38 | 113.4° | 109.4° |
| C35 | C37 | H45 | 108.5° | 109.4° |
| C35 | C37 | H46 | 108.5° | 109.5° |
| O10 | C36 | N10 | 122.9° | 119.9° |
| C38 | C37 | H45 | 108.5° | 109.5° |
| C38 | C37 | H46 | 108.5° | 109.5° |
| C37 | C38 | C39 | 120.6° | 120.0° |
| C37 | C38 | C40 | 120.7° | 120.0° |
| H45 | C37 | H46 | 109.5° | 109.5° |
| C39 | C38 | C40 | 118.8° | 120.0° |
| C38 | C39 | C41 | 120.8° | 119.9° |
| C38 | C39 | H47 | 119.6° | 120.0° |
| C38 | C40 | C42 | 120.7° | 120.0° |
| C38 | C40 | H48 | 119.7° | 120.0° |
| C41 | C39 | H47 | 119.6° | 120.0° |
| C39 | C41 | C43 | 119.9° | 120.0° |
| C39 | C41 | H49 | 120.1° | 120.0° |
| C42 | C40 | H48 | 119.6° | 120.0° |
| C40 | C42 | C43 | 120.0° | 120.0° |
| C40 | C42 | H50 | 120.0° | 120.0° |
| C43 | C41 | H49 | 120.1° | 120.0° |
| C41 | C43 | C42 | 119.9° | 120.0° |
| C41 | C43 | H51 | 120.1° | 120.0° |
| C43 | C42 | H50 | 120.0° | 120.0° |
| C42 | C43 | H51 | 120.1° | 120.0° |
| C44 | N10 | H52 | 119.2° | 119.6° |
| N10 | C44 | C45 | 110.9° | 109.3° |
| N10 | C44 | C46 | 110.2° | 109.4° |
| N10 | C44 | H53 | 109.2° | 109.8° |
| C44 | N10 | C36 | 121.7° | 120.1° |
| H52 | N10 | C36 | 119.1° | 120.2° |
| C45 | C44 | C46 | 109.9° | 109.4° |
| C45 | C44 | H53 | 108.3° | 109.5° |
| C44 | C45 | O11 | 120.8° | 119.7° |
| C44 | C45 | N14 | 116.2° | 120.0° |
| C46 | C44 | H53 | 108.2° | 109.3° |
| C44 | C46 | C47 | 113.6° | 109.5° |
| C44 | C46 | H54 | 108.4° | 109.5° |
| C44 | C46 | H55 | 108.4° | 109.5° |
| O11 | C45 | N14 | 123.0° | 120.2° |
| C47 | C46 | H54 | 108.4° | 109.5° |
| C47 | C46 | H55 | 108.4° | 109.5° |
| C46 | C47 | C48 | 111.5° | 109.5° |
| C46 | C47 | H56 | 108.9° | 109.5° |
| C46 | C47 | H57 | 108.9° | 109.5° |
| H54 | C46 | H55 | 109.5° | 109.5° |
| C48 | C47 | H56 | 109.0° | 109.4° |
| C48 | C47 | H57 | 109.0° | 109.5° |
| C47 | C48 | N11 | 112.0° | 109.5° |
| C47 | C48 | H58 | 108.9° | 109.5° |
| C47 | C48 | H59 | 108.8° | 109.5° |
| H56 | C47 | H57 | 109.5° | 109.4° |
| N11 | C48 | H58 | 108.8° | 109.4° |
| N11 | C48 | H59 | 108.9° | 109.4° |
| C48 | N11 | C49 | 123.5° | 120.0° |
| C48 | N11 | H60 | 118.2° | 120.0° |
| H58 | C48 | H59 | 109.5° | 109.5° |
| C49 | N11 | H60 | 118.2° | 120.0° |
| N11 | C49 | N12 | 120.2° | 120.0° |
| N11 | C49 | N13 | 120.0° | 120.0° |
| N12 | C49 | N13 | 119.7° | 120.0° |
| C49 | N12 | H61 | 120.0° | 120.0° |
| C49 | N12 | H62 | 120.0° | 120.1° |
| C49 | N13 | H63 | 120.0° | 119.9° |
| C49 | N13 | H64 | 120.0° | 120.0° |
| H61 | N12 | H62 | 120.0° | 119.9° |
| H63 | N13 | H64 | 120.0° | 120.0° |
| C50 | N14 | H65 | 119.2° | 120.9° |
| N14 | C50 | C51 | 110.9° | 110.2° |
| N14 | C50 | C52 | 110.4° | 109.9° |
| N14 | C50 | H66 | 109.2° | 109.1° |
| C50 | N14 | C45 | 121.6° | 118.4° |
| H65 | N14 | C45 | 119.2° | 120.6° |
| C51 | C50 | C52 | 109.8° | 109.8° |
| C51 | C50 | H66 | 108.3° | 108.9° |
| C50 | C51 | O12 | 120.9° | 118.9° |
| C50 | C51 | N18 | 116.2° | 121.9° |
| C52 | C50 | H66 | 108.2° | 109.0° |
| C50 | C52 | C53 | 113.5° | 109.5° |
| C50 | C52 | H67 | 108.4° | 109.5° |
| C50 | C52 | H68 | 108.5° | 109.5° |
| O12 | C51 | N18 | 123.0° | 119.3° |
| C53 | C52 | H67 | 108.5° | 109.5° |
| C53 | C52 | H68 | 108.5° | 109.5° |
| C52 | C53 | C54 | 111.4° | 109.5° |
| C52 | C53 | H69 | 109.0° | 109.5° |
| C52 | C53 | H70 | 109.0° | 109.5° |
| H67 | C52 | H68 | 109.5° | 109.5° |
| C54 | C53 | H69 | 109.0° | 109.5° |
| C54 | C53 | H70 | 109.0° | 109.5° |
| C53 | C54 | N15 | 112.0° | 109.5° |
| C53 | C54 | H71 | 108.8° | 109.5° |
| C53 | C54 | H72 | 108.8° | 109.5° |
| H69 | C53 | H70 | 109.5° | 109.5° |
| N15 | C54 | H71 | 108.8° | 109.4° |
| N15 | C54 | H72 | 108.9° | 109.5° |
| C54 | N15 | C55 | 123.6° | 120.0° |
| C54 | N15 | H73 | 118.2° | 120.0° |
| H71 | C54 | H72 | 109.5° | 109.4° |
| C55 | N15 | H73 | 118.2° | 120.0° |
| N15 | C55 | N16 | 120.2° | 120.0° |
| N15 | C55 | N17 | 120.0° | 120.0° |
| N16 | C55 | N17 | 119.8° | 120.0° |
| C55 | N16 | H74 | 120.0° | 120.1° |
| C55 | N16 | H75 | 120.0° | 119.9° |
| C55 | N17 | H76 | 120.0° | 120.0° |
| C55 | N17 | H77 | 120.0° | 120.0° |
| H74 | N16 | H75 | 120.0° | 120.0° |
| H76 | N17 | H77 | 120.0° | 120.0° |
| C56 | N18 | H78 | 119.2° | 119.7° |
| N18 | C56 | C57 | 110.9° | 111.0° |
| N18 | C56 | C58 | 110.3° | 109.7° |
| N18 | C56 | H79 | 109.1° | 108.5° |
| C56 | N18 | C51 | 121.6° | 119.6° |
| H78 | N18 | C51 | 119.2° | 120.7° |
| C57 | C56 | C58 | 110.0° | 110.4° |
| C57 | C56 | H79 | 108.3° | 108.6° |
| C56 | C57 | O13 | 120.8° | 118.9° |
| C56 | C57 | N1 | 119.1° | 122.2° |
| C58 | C56 | H79 | 108.2° | 108.5° |
| C56 | C58 | C59 | 112.5° | 109.4° |
| C56 | C58 | H80 | 108.7° | 109.5° |
| C56 | C58 | H81 | 108.7° | 109.5° |
| O13 | C57 | N1 | 119.7° | 119.0° |
| C59 | C58 | H80 | 108.7° | 109.4° |
| C59 | C58 | H81 | 108.7° | 109.5° |
| C58 | C59 | O14 | 118.3° | 120.1° |
| C58 | C59 | O15 | 118.4° | 120.0° |
| H80 | C58 | H81 | 109.4° | 109.4° |
| O14 | C59 | O15 | 123.2° | 120.0° |
| C59 | O15 | H82 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C57 | 180.0° | 179.4° |
| N1 | C1 | C2 | H2 | 120.4° | 120.7° |
| N1 | C1 | C2 | H3 | 120.5° | 119.9° |
| N1 | C1 | H2 | H3 | 118.6° | 119.6° |
| N1 | C1 | C2 | O1 | 178.4° | 88.4° |
| C1 | N1 | C57 | C56 | 157.7° | 169.5° |
| C1 | N1 | C57 | O13 | 29.2° | 10.7° |
| N1 | C1 | C2 | N2 | 1.5° | 92.1° |
| H1 | N1 | C1 | C2 | 87.8° | 49.7° |
| H1 | N1 | C1 | H2 | 32.7° | 170.2° |
| H1 | N1 | C1 | H3 | 151.8° | 70.2° |
| H1 | N1 | C57 | C56 | 22.3° | 11.1° |
| H1 | N1 | C57 | O13 | 150.8° | 168.6° |
| C2 | C1 | H2 | H3 | 118.6° | 119.4° |
| C1 | C2 | O1 | N2 | 179.9° | 179.5° |
| C1 | C2 | N2 | C3 | 179.7° | 179.4° |
| C1 | C2 | N2 | H4 | 0.2° | 0.9° |
| C2 | C1 | N1 | C57 | 92.2° | 129.7° |
| H2 | C1 | C2 | O1 | 58.0° | 150.8° |
| H2 | C1 | N1 | C57 | 147.3° | 9.2° |
| H2 | C1 | C2 | N2 | 121.9° | 28.7° |
| H3 | C1 | C2 | O1 | 61.1° | 31.5° |
| H3 | C1 | N1 | C57 | 28.2° | 110.4° |
| H3 | C1 | C2 | N2 | 119.0° | 148.0° |
| O1 | C2 | N2 | C3 | 0.3° | 1.1° |
| O1 | C2 | N2 | H4 | 179.7° | 178.6° |
| C3 | N2 | H4 | C2 | 180.0° | 179.8° |
| N2 | C3 | C4 | C5 | 122.3° | 119.8° |
| N2 | C3 | C4 | H5 | 119.7° | 120.3° |
| N2 | C3 | C5 | H5 | 119.4° | 120.8° |
| N2 | C3 | C4 | O2 | 133.8° | 20.0° |
| N2 | C3 | C5 | O3 | 81.5° | 65.0° |
| N2 | C3 | C5 | H6 | 38.7° | 55.0° |
| N2 | C3 | C5 | H7 | 158.3° | 175.0° |
| N2 | C3 | C4 | N3 | 46.1° | 159.8° |
| H4 | N2 | C3 | C4 | 89.1° | 16.4° |
| H4 | N2 | C3 | C5 | 33.0° | 103.1° |
| H4 | N2 | C3 | H5 | 151.8° | 136.3° |
| C4 | C3 | C5 | H5 | 118.0° | 119.6° |
| C3 | C4 | O2 | N3 | 179.9° | 179.9° |
| C4 | C3 | C5 | O3 | 155.9° | 175.5° |
| C4 | C3 | C5 | H6 | 83.9° | 64.5° |
| C4 | C3 | C5 | H7 | 35.7° | 55.5° |
| C3 | C4 | N3 | C6 | 180.0° | 177.9° |
| C3 | C4 | N3 | H9 | 0.1° | 2.3° |
| C4 | C3 | N2 | C2 | 91.0° | 163.3° |
| C5 | C3 | C4 | O2 | 11.5° | 99.8° |
| C3 | C5 | O3 | H6 | 120.2° | 120.0° |
| C3 | C5 | O3 | H7 | 120.2° | 120.0° |
| C3 | C5 | H6 | H7 | 119.3° | 120.0° |
| C3 | C5 | O3 | H8 | 180.0° | 180.0° |
| C5 | C3 | N2 | C2 | 147.0° | 77.2° |
| C5 | C3 | C4 | N3 | 168.4° | 80.3° |
| H5 | C3 | C4 | O2 | 106.5° | 140.3° |
| H5 | C3 | C5 | O3 | 37.9° | 55.8° |
| H5 | C3 | C5 | H6 | 158.1° | 175.8° |
| H5 | C3 | C5 | H7 | 82.3° | 64.1° |
| H5 | C3 | N2 | C2 | 28.2° | 43.5° |
| H5 | C3 | C4 | N3 | 73.6° | 39.6° |
| O2 | C4 | N3 | C6 | 0.1° | 2.3° |
| O2 | C4 | N3 | H9 | 179.9° | 177.6° |
| O3 | C5 | H6 | H7 | 119.3° | 120.0° |
| H6 | C5 | O3 | H8 | 59.7° | 60.0° |
| H7 | C5 | O3 | H8 | 59.8° | 60.0° |
| C6 | N3 | H9 | C4 | 180.0° | 179.9° |
| N3 | C6 | C7 | C8 | 122.2° | 121.8° |
| N3 | C6 | C7 | H10 | 119.8° | 119.0° |
| N3 | C6 | C8 | H10 | 119.3° | 118.7° |
| N3 | C6 | C7 | O4 | 46.1° | 16.7° |
| N3 | C6 | C8 | S1 | 160.7° | 78.9° |
| N3 | C6 | C8 | H11 | 78.6° | 41.0° |
| N3 | C6 | C8 | H12 | 40.0° | 160.9° |
| N3 | C6 | C7 | N4 | 133.8° | 162.9° |
| H9 | N3 | C6 | C7 | 128.2° | 115.5° |
| H9 | N3 | C6 | C8 | 6.2° | 122.5° |
| H9 | N3 | C6 | H10 | 112.6° | 3.7° |
| C7 | C6 | C8 | H10 | 118.0° | 119.3° |
| C6 | C7 | O4 | N4 | 179.9° | 179.6° |
| C7 | C6 | C8 | S1 | 38.1° | 159.1° |
| C7 | C6 | C8 | H11 | 158.7° | 81.0° |
| C7 | C6 | C8 | H12 | 82.6° | 38.9° |
| C6 | C7 | N4 | C9 | 179.9° | 177.7° |
| C6 | C7 | N4 | H13 | 0.1° | 2.4° |
| C7 | C6 | N3 | C4 | 51.8° | 64.4° |
| C8 | C6 | C7 | O4 | 76.1° | 105.1° |
| C6 | C8 | S1 | H11 | 120.7° | 120.3° |
| C6 | C8 | S1 | H12 | 120.7° | 120.2° |
| C6 | C8 | H11 | H12 | 117.9° | 120.3° |
| C8 | C6 | N3 | C4 | 173.8° | 57.6° |
| C8 | C6 | C7 | N4 | 103.9° | 75.3° |
| C6 | C8 | S1 | S2 | 115.1° | 151.5° |
| H10 | C6 | C7 | O4 | 165.9° | 135.7° |
| H10 | C6 | C8 | S1 | 80.0° | 39.8° |
| H10 | C6 | C8 | H11 | 40.7° | 159.7° |
| H10 | C6 | C8 | H12 | 159.3° | 80.4° |
| H10 | C6 | N3 | C4 | 67.5° | 176.4° |
| H10 | C6 | C7 | N4 | 14.0° | 43.9° |
| O4 | C7 | N4 | C9 | 0.0° | 1.9° |
| O4 | C7 | N4 | H13 | 180.0° | 178.1° |
| S1 | C8 | H11 | H12 | 117.9° | 119.7° |
| C8 | S1 | S2 | C34 | 96.1° | 73.2° |
| H11 | C8 | S1 | S2 | 5.6° | 88.2° |
| H12 | C8 | S1 | S2 | 124.2° | 31.3° |
| C9 | N4 | H13 | C7 | 180.0° | 179.9° |
| N4 | C9 | C10 | C11 | 122.3° | 120.1° |
| N4 | C9 | C10 | H14 | 119.7° | 120.3° |
| N4 | C9 | C11 | H14 | 119.3° | 120.0° |
| N4 | C9 | C10 | O5 | 100.1° | 55.2° |
| N4 | C9 | C11 | C12 | 80.5° | 65.0° |
| N4 | C9 | C11 | H15 | 40.1° | 55.0° |
| N4 | C9 | C11 | H16 | 158.9° | 175.0° |
| N4 | C9 | C10 | N5 | 79.8° | 125.0° |
| H13 | N4 | C9 | C10 | 29.9° | 19.9° |
| H13 | N4 | C9 | C11 | 92.2° | 100.0° |
| H13 | N4 | C9 | H14 | 149.1° | 140.1° |
| C10 | C9 | C11 | H14 | 118.0° | 119.6° |
| C9 | C10 | O5 | N5 | 179.8° | 179.9° |
| C10 | C9 | C11 | C12 | 156.9° | 174.5° |
| C10 | C9 | C11 | H15 | 82.5° | 65.4° |
| C10 | C9 | C11 | H16 | 36.2° | 54.6° |
| C9 | C10 | N5 | C18 | 179.9° | 177.1° |
| C9 | C10 | N5 | H22 | 0.1° | 2.6° |
| C10 | C9 | N4 | C7 | 150.1° | 160.0° |
| C11 | C9 | C10 | O5 | 22.3° | 65.0° |
| C9 | C11 | C12 | H15 | 120.6° | 120.0° |
| C9 | C11 | C12 | H16 | 120.6° | 120.0° |
| C9 | C11 | H15 | H16 | 118.1° | 120.0° |
| C9 | C11 | C12 | C13 | 56.9° | 90.0° |
| C9 | C11 | C12 | C14 | 123.1° | 90.3° |
| C11 | C9 | N4 | C7 | 87.8° | 80.1° |
| C11 | C9 | C10 | N5 | 157.9° | 114.9° |
| H14 | C9 | C10 | O5 | 140.3° | 175.4° |
| H14 | C9 | C11 | C12 | 38.8° | 55.0° |
| H14 | C9 | C11 | H15 | 159.4° | 175.0° |
| H14 | C9 | C11 | H16 | 81.8° | 65.0° |
| H14 | C9 | N4 | C7 | 30.9° | 39.9° |
| H14 | C9 | C10 | N5 | 39.9° | 4.7° |
| O5 | C10 | N5 | C18 | 0.0° | 2.7° |
| O5 | C10 | N5 | H22 | 180.0° | 177.5° |
| C12 | C11 | H15 | H16 | 118.1° | 120.0° |
| C11 | C12 | C13 | C14 | 179.9° | 179.7° |
| C11 | C12 | C13 | C15 | 179.9° | 180.0° |
| C11 | C12 | C13 | H17 | 0.1° | 0.0° |
| C11 | C12 | C14 | C16 | 180.0° | 180.0° |
| C11 | C12 | C14 | H18 | 0.1° | 0.0° |
| H15 | C11 | C12 | C13 | 177.5° | 30.0° |
| H15 | C11 | C12 | C14 | 2.4° | 149.7° |
| H16 | C11 | C12 | C13 | 63.8° | 150.0° |
| H16 | C11 | C12 | C14 | 116.3° | 29.7° |
| C12 | C13 | C15 | H17 | 180.0° | 180.0° |
| C13 | C12 | C14 | C16 | 0.0° | 0.3° |
| C13 | C12 | C14 | H18 | 180.0° | 179.7° |
| C12 | C13 | C15 | C17 | 0.1° | 0.1° |
| C12 | C13 | C15 | H19 | 179.9° | 180.0° |
| C14 | C12 | C13 | C15 | 0.0° | 0.4° |
| C14 | C12 | C13 | H17 | 180.0° | 179.7° |
| C12 | C14 | C16 | H18 | 180.0° | 179.9° |
| C12 | C14 | C16 | C17 | 0.0° | 0.1° |
| C12 | C14 | C16 | H20 | 180.0° | 180.0° |
| C13 | C15 | C17 | H19 | 180.0° | 179.9° |
| C13 | C15 | C17 | C16 | 0.2° | 0.1° |
| C13 | C15 | C17 | H21 | 179.8° | 180.0° |
| H17 | C13 | C15 | C17 | 179.9° | 179.9° |
| H17 | C13 | C15 | H19 | 0.1° | 0.0° |
| C14 | C16 | C17 | C15 | 0.1° | 0.2° |
| C14 | C16 | C17 | H20 | 180.0° | 179.9° |
| C14 | C16 | C17 | H21 | 179.9° | 180.0° |
| H18 | C14 | C16 | C17 | 180.0° | 180.0° |
| H18 | C14 | C16 | H20 | 0.0° | 0.0° |
| C15 | C17 | C16 | H21 | 180.0° | 179.9° |
| C15 | C17 | C16 | H20 | 179.9° | 179.8° |
| H19 | C15 | C17 | C16 | 179.8° | 179.8° |
| H19 | C15 | C17 | H21 | 0.2° | 0.1° |
| H20 | C16 | C17 | H21 | 0.1° | 0.1° |
| C18 | N5 | H22 | C10 | 180.0° | 179.7° |
| N5 | C18 | C19 | H23 | 120.5° | 118.8° |
| N5 | C18 | C19 | H24 | 120.5° | 121.7° |
| N5 | C18 | H23 | H24 | 118.6° | 119.6° |
| N5 | C18 | C19 | O6 | 73.6° | 113.5° |
| N5 | C18 | C19 | N6 | 106.5° | 67.0° |
| H22 | N5 | C18 | C19 | 127.0° | 41.1° |
| H22 | N5 | C18 | H23 | 6.6° | 78.0° |
| H22 | N5 | C18 | H24 | 112.5° | 163.4° |
| C19 | C18 | H23 | H24 | 118.6° | 121.2° |
| C18 | C19 | O6 | N6 | 179.9° | 179.5° |
| C18 | C19 | N6 | C20 | 179.9° | 63.8° |
| C18 | C19 | N6 | H25 | 0.1° | 116.3° |
| C19 | C18 | N5 | C10 | 53.0° | 139.1° |
| H23 | C18 | C19 | O6 | 46.9° | 5.3° |
| H23 | C18 | N5 | C10 | 173.4° | 101.7° |
| H23 | C18 | C19 | N6 | 133.0° | 174.2° |
| H24 | C18 | C19 | O6 | 166.0° | 124.8° |
| H24 | C18 | N5 | C10 | 67.5° | 16.9° |
| H24 | C18 | C19 | N6 | 13.9° | 54.7° |
| O6 | C19 | N6 | C20 | 0.2° | 115.7° |
| O6 | C19 | N6 | H25 | 179.8° | 64.2° |
| C20 | N6 | H25 | C19 | 180.0° | 179.9° |
| N6 | C20 | C21 | C22 | 122.7° | 122.3° |
| N6 | C20 | C21 | H26 | 119.4° | 119.5° |
| N6 | C20 | C22 | H26 | 118.9° | 121.2° |
| N6 | C20 | C21 | O7 | 164.0° | 94.8° |
| N6 | C20 | C22 | H27 | 180.0° | 60.0° |
| N6 | C20 | C22 | H28 | 60.0° | 180.0° |
| N6 | C20 | C22 | H29 | 60.0° | 59.9° |
| N6 | C20 | C21 | N7 | 16.0° | 83.8° |
| H25 | N6 | C20 | C21 | 117.1° | 3.2° |
| H25 | N6 | C20 | C22 | 5.7° | 117.6° |
| H25 | N6 | C20 | H26 | 124.0° | 121.7° |
| C21 | C20 | C22 | H26 | 117.9° | 117.9° |
| C20 | C21 | O7 | N7 | 180.0° | 178.5° |
| C21 | C20 | C22 | H27 | 56.8° | 60.9° |
| C21 | C20 | C22 | H28 | 176.8° | 59.1° |
| C21 | C20 | C22 | H29 | 63.3° | 179.2° |
| C20 | C21 | N7 | C23 | 180.0° | 166.3° |
| C20 | C21 | N7 | H30 | 0.1° | 15.5° |
| C21 | C20 | N6 | C19 | 62.9° | 176.7° |
| C22 | C20 | C21 | O7 | 73.3° | 142.9° |
| C20 | C22 | H27 | H28 | 120.0° | 120.0° |
| C20 | C22 | H27 | H29 | 120.0° | 119.9° |
| C20 | C22 | H28 | H29 | 120.0° | 120.0° |
| C22 | C20 | N6 | C19 | 174.3° | 62.5° |
| C22 | C20 | C21 | N7 | 106.8° | 38.6° |
| H26 | C20 | C21 | O7 | 44.6° | 24.7° |
| H26 | C20 | C22 | H27 | 61.1° | 178.8° |
| H26 | C20 | C22 | H28 | 58.9° | 58.8° |
| H26 | C20 | C22 | H29 | 178.9° | 61.3° |
| H26 | C20 | N6 | C19 | 55.9° | 58.1° |
| H26 | C20 | C21 | N7 | 135.4° | 156.8° |
| O7 | C21 | N7 | C23 | 0.0° | 15.2° |
| O7 | C21 | N7 | H30 | 179.9° | 163.0° |
| H27 | C22 | H28 | H29 | 120.0° | 120.0° |
| C23 | N7 | H30 | C21 | 180.0° | 178.2° |
| N7 | C23 | C24 | C25 | 122.3° | 119.2° |
| N7 | C23 | C24 | H31 | 119.7° | 120.4° |
| N7 | C23 | C25 | H31 | 119.3° | 121.3° |
| N7 | C23 | C24 | O8 | 144.0° | 3.1° |
| N7 | C23 | C25 | C26 | 78.4° | 59.3° |
| N7 | C23 | C25 | H32 | 42.1° | 179.3° |
| N7 | C23 | C25 | H33 | 160.9° | 60.7° |
| N7 | C23 | C24 | N8 | 35.8° | 177.5° |
| H30 | N7 | C23 | C24 | 70.1° | 7.5° |
| H30 | N7 | C23 | C25 | 51.9° | 126.0° |
| H30 | N7 | C23 | H31 | 170.7° | 112.6° |
| C24 | C23 | C25 | H31 | 118.0° | 120.0° |
| C23 | C24 | O8 | N8 | 179.8° | 179.3° |
| C24 | C23 | C25 | C26 | 158.9° | 59.3° |
| C24 | C23 | C25 | H32 | 80.5° | 60.7° |
| C24 | C23 | C25 | H33 | 38.3° | 179.3° |
| C23 | C24 | N8 | C32 | 180.0° | 166.5° |
| C23 | C24 | N8 | H39 | 0.0° | 13.8° |
| C24 | C23 | N7 | C21 | 109.8° | 174.3° |
| C25 | C23 | C24 | O8 | 21.8° | 122.3° |
| C23 | C25 | C26 | H32 | 120.6° | 120.0° |
| C23 | C25 | C26 | H33 | 120.6° | 120.0° |
| C23 | C25 | H32 | H33 | 118.2° | 120.0° |
| C23 | C25 | C26 | C27 | 57.1° | 84.0° |
| C23 | C25 | C26 | C28 | 122.8° | 96.3° |
| C25 | C23 | N7 | C21 | 128.1° | 55.7° |
| C25 | C23 | C24 | N8 | 158.1° | 58.4° |
| H31 | C23 | C24 | O8 | 96.2° | 117.3° |
| H31 | C23 | C25 | C26 | 40.9° | 179.4° |
| H31 | C23 | C25 | H32 | 161.5° | 59.4° |
| H31 | C23 | C25 | H33 | 79.7° | 60.6° |
| H31 | C23 | N7 | C21 | 9.3° | 65.6° |
| H31 | C23 | C24 | N8 | 83.9° | 62.0° |
| O8 | C24 | N8 | C32 | 0.2° | 14.1° |
| O8 | C24 | N8 | H39 | 179.9° | 165.6° |
| C26 | C25 | H32 | H33 | 118.1° | 120.0° |
| C25 | C26 | C27 | C28 | 180.0° | 179.7° |
| C25 | C26 | C27 | C29 | 179.9° | 180.0° |
| C25 | C26 | C27 | H34 | 0.1° | 0.0° |
| C25 | C26 | C28 | C30 | 180.0° | 180.0° |
| C25 | C26 | C28 | H35 | 0.0° | 0.0° |
| H32 | C25 | C26 | C27 | 177.7° | 36.0° |
| H32 | C25 | C26 | C28 | 2.2° | 143.7° |
| H33 | C25 | C26 | C27 | 63.5° | 156.0° |
| H33 | C25 | C26 | C28 | 116.5° | 23.7° |
| C26 | C27 | C29 | H34 | 180.0° | 179.9° |
| C27 | C26 | C28 | C30 | 0.0° | 0.3° |
| C27 | C26 | C28 | H35 | 180.0° | 179.7° |
| C26 | C27 | C29 | C31 | 0.2° | 0.1° |
| C26 | C27 | C29 | H36 | 179.8° | 180.0° |
| C28 | C26 | C27 | C29 | 0.1° | 0.3° |
| C28 | C26 | C27 | H34 | 179.9° | 179.8° |
| C26 | C28 | C30 | H35 | 180.0° | 180.0° |
| C26 | C28 | C30 | C31 | 0.1° | 0.0° |
| C26 | C28 | C30 | H37 | 179.9° | 180.0° |
| C27 | C29 | C31 | H36 | 180.0° | 179.9° |
| C27 | C29 | C31 | C30 | 0.2° | 0.2° |
| C27 | C29 | C31 | H38 | 179.8° | 180.0° |
| H34 | C27 | C29 | C31 | 179.8° | 180.0° |
| H34 | C27 | C29 | H36 | 0.2° | 0.1° |
| C28 | C30 | C31 | C29 | 0.2° | 0.2° |
| C28 | C30 | C31 | H37 | 180.0° | 180.0° |
| C28 | C30 | C31 | H38 | 179.8° | 180.0° |
| H35 | C28 | C30 | C31 | 179.9° | 179.9° |
| H35 | C28 | C30 | H37 | 0.1° | 0.0° |
| C29 | C31 | C30 | H38 | 180.0° | 179.8° |
| C29 | C31 | C30 | H37 | 179.8° | 179.7° |
| H36 | C29 | C31 | C30 | 179.8° | 179.7° |
| H36 | C29 | C31 | H38 | 0.2° | 0.1° |
| H37 | C30 | C31 | H38 | 0.2° | 0.1° |
| C32 | N8 | H39 | C24 | 180.0° | 179.7° |
| N8 | C32 | C33 | C34 | 122.3° | 122.5° |
| N8 | C32 | C33 | H40 | 119.7° | 118.8° |
| N8 | C32 | C34 | H40 | 119.3° | 120.8° |
| N8 | C32 | C33 | O9 | 163.7° | 88.5° |
| N8 | C32 | C34 | S2 | 153.8° | 85.3° |
| N8 | C32 | C34 | H41 | 33.1° | 36.0° |
| N8 | C32 | C34 | H42 | 85.5° | 155.2° |
| N8 | C32 | C33 | N9 | 16.2° | 91.2° |
| H39 | N8 | C32 | C33 | 87.5° | 36.8° |
| H39 | N8 | C32 | C34 | 34.6° | 157.5° |
| H39 | N8 | C32 | H40 | 153.4° | 81.7° |
| C33 | C32 | C34 | H40 | 118.0° | 118.4° |
| C32 | C33 | O9 | N9 | 179.9° | 179.7° |
| C33 | C32 | C34 | S2 | 83.5° | 153.9° |
| C33 | C32 | C34 | H41 | 155.8° | 84.9° |
| C33 | C32 | C34 | H42 | 37.2° | 34.4° |
| C32 | C33 | N9 | C35 | 179.9° | 179.3° |
| C32 | C33 | N9 | H43 | 0.1° | 0.7° |
| C33 | C32 | N8 | C24 | 92.5° | 142.9° |
| C34 | C32 | C33 | O9 | 41.4° | 149.1° |
| C32 | C34 | S2 | H41 | 120.7° | 121.3° |
| C32 | C34 | S2 | H42 | 120.7° | 119.6° |
| C32 | C34 | H41 | H42 | 117.9° | 119.6° |
| C32 | C34 | S2 | S1 | 70.2° | 172.2° |
| C34 | C32 | N8 | C24 | 145.4° | 22.1° |
| C34 | C32 | C33 | N9 | 138.5° | 31.2° |
| H40 | C32 | C33 | O9 | 76.6° | 30.3° |
| H40 | C32 | C34 | S2 | 34.5° | 35.6° |
| H40 | C32 | C34 | H41 | 86.2° | 156.8° |
| H40 | C32 | C34 | H42 | 155.2° | 84.0° |
| H40 | C32 | N8 | C24 | 26.7° | 98.7° |
| H40 | C32 | C33 | N9 | 103.5° | 149.9° |
| O9 | C33 | N9 | C35 | 0.0° | 1.0° |
| O9 | C33 | N9 | H43 | 180.0° | 179.1° |
| S2 | C34 | H41 | H42 | 117.9° | 119.4° |
| H41 | C34 | S2 | S1 | 50.5° | 66.5° |
| H42 | C34 | S2 | S1 | 169.2° | 52.6° |
| C35 | N9 | H43 | C33 | 180.0° | 180.0° |
| N9 | C35 | C36 | C37 | 122.3° | 119.5° |
| N9 | C35 | C36 | H44 | 119.8° | 120.0° |
| N9 | C35 | C37 | H44 | 119.4° | 120.4° |
| N9 | C35 | C36 | O10 | 107.1° | 3.8° |
| N9 | C35 | C37 | C38 | 59.3° | 65.0° |
| N9 | C35 | C37 | H45 | 61.2° | 54.9° |
| N9 | C35 | C37 | H46 | 179.9° | 175.0° |
| N9 | C35 | C36 | N10 | 72.9° | 176.4° |
| H43 | N9 | C35 | C36 | 46.6° | 32.6° |
| H43 | N9 | C35 | C37 | 75.3° | 87.1° |
| H43 | N9 | C35 | H44 | 165.9° | 152.6° |
| C36 | C35 | C37 | H44 | 118.0° | 120.5° |
| C35 | C36 | O10 | N10 | 179.9° | 179.8° |
| C36 | C35 | C37 | C38 | 178.1° | 175.8° |
| C36 | C35 | C37 | H45 | 61.3° | 64.2° |
| C36 | C35 | C37 | H46 | 57.5° | 55.8° |
| C35 | C36 | N10 | C44 | 180.0° | 178.5° |
| C35 | C36 | N10 | H52 | 0.0° | 2.1° |
| C36 | C35 | N9 | C33 | 133.3° | 147.4° |
| C37 | C35 | C36 | O10 | 15.1° | 123.3° |
| C35 | C37 | C38 | H45 | 120.6° | 119.9° |
| C35 | C37 | C38 | H46 | 120.6° | 119.9° |
| C35 | C37 | H45 | H46 | 118.2° | 120.0° |
| C35 | C37 | C38 | C39 | 74.0° | 90.0° |
| C35 | C37 | C38 | C40 | 106.2° | 90.3° |
| C37 | C35 | N9 | C33 | 104.7° | 92.9° |
| C37 | C35 | C36 | N10 | 164.8° | 56.9° |
| H44 | C35 | C36 | O10 | 133.1° | 116.2° |
| H44 | C35 | C37 | C38 | 60.1° | 55.3° |
| H44 | C35 | C37 | H45 | 179.4° | 175.3° |
| H44 | C35 | C37 | H46 | 60.5° | 64.7° |
| H44 | C35 | N9 | C33 | 14.1° | 27.4° |
| H44 | C35 | C36 | N10 | 46.8° | 63.6° |
| O10 | C36 | N10 | C44 | 0.1° | 1.6° |
| O10 | C36 | N10 | H52 | 179.9° | 177.7° |
| C38 | C37 | H45 | H46 | 118.2° | 120.1° |
| C37 | C38 | C39 | C40 | 179.8° | 179.7° |
| C37 | C38 | C39 | C41 | 179.9° | 179.9° |
| C37 | C38 | C39 | H47 | 0.2° | 0.0° |
| C37 | C38 | C40 | C42 | 180.0° | 179.9° |
| C37 | C38 | C40 | H48 | 0.1° | 0.0° |
| H45 | C37 | C38 | C39 | 165.4° | 29.9° |
| H45 | C37 | C38 | C40 | 14.4° | 149.8° |
| H46 | C37 | C38 | C39 | 46.6° | 150.0° |
| H46 | C37 | C38 | C40 | 133.2° | 29.7° |
| C38 | C39 | C41 | H47 | 180.0° | 180.0° |
| C39 | C38 | C40 | C42 | 0.1° | 0.2° |
| C39 | C38 | C40 | H48 | 179.9° | 179.7° |
| C38 | C39 | C41 | C43 | 0.1° | 0.0° |
| C38 | C39 | C41 | H49 | 180.0° | 180.0° |
| C40 | C38 | C39 | C41 | 0.0° | 0.3° |
| C40 | C38 | C39 | H47 | 180.0° | 179.7° |
| C38 | C40 | C42 | H48 | 180.0° | 179.9° |
| C38 | C40 | C42 | C43 | 0.1° | 0.1° |
| C38 | C40 | C42 | H50 | 179.8° | 180.0° |
| C39 | C41 | C43 | H49 | 180.0° | 180.0° |
| C39 | C41 | C43 | C42 | 0.0° | 0.3° |
| C39 | C41 | C43 | H51 | 180.0° | 180.0° |
| H47 | C39 | C41 | C43 | 179.9° | 180.0° |
| H47 | C39 | C41 | H49 | 0.1° | 0.0° |
| C40 | C42 | C43 | C41 | 0.1° | 0.3° |
| C40 | C42 | C43 | H50 | 180.0° | 179.9° |
| C40 | C42 | C43 | H51 | 180.0° | 180.0° |
| H48 | C40 | C42 | C43 | 179.9° | 180.0° |
| H48 | C40 | C42 | H50 | 0.1° | 0.1° |
| C41 | C43 | C42 | H51 | 180.0° | 179.7° |
| C41 | C43 | C42 | H50 | 179.9° | 179.8° |
| H49 | C41 | C43 | C42 | 180.0° | 179.7° |
| H49 | C41 | C43 | H51 | 0.0° | 0.0° |
| H50 | C42 | C43 | H51 | 0.1° | 0.1° |
| C44 | N10 | H52 | C36 | 180.0° | 179.4° |
| N10 | C44 | C45 | C46 | 122.1° | 119.8° |
| N10 | C44 | C45 | H53 | 119.8° | 120.4° |
| N10 | C44 | C46 | H53 | 119.4° | 120.3° |
| N10 | C44 | C45 | O11 | 13.2° | 81.4° |
| N10 | C44 | C46 | C47 | 87.8° | 65.0° |
| N10 | C44 | C46 | H54 | 32.8° | 55.0° |
| N10 | C44 | C46 | H55 | 151.6° | 175.0° |
| N10 | C44 | C45 | N14 | 166.7° | 98.7° |
| H52 | N10 | C44 | C45 | 29.9° | 60.6° |
| H52 | N10 | C44 | C46 | 92.1° | 59.3° |
| H52 | N10 | C44 | H53 | 149.1° | 179.3° |
| C45 | C44 | C46 | H53 | 118.1° | 119.9° |
| C44 | C45 | O11 | N14 | 179.9° | 179.9° |
| C45 | C44 | C46 | C47 | 149.6° | 175.3° |
| C45 | C44 | C46 | H54 | 89.7° | 64.7° |
| C45 | C44 | C46 | H55 | 29.0° | 55.3° |
| C44 | C45 | N14 | C50 | 179.8° | 178.8° |
| C44 | C45 | N14 | H65 | 0.2° | 1.1° |
| C45 | C44 | N10 | C36 | 150.1° | 120.1° |
| C46 | C44 | C45 | O11 | 108.9° | 38.4° |
| C44 | C46 | C47 | H54 | 120.6° | 120.0° |
| C44 | C46 | C47 | H55 | 120.6° | 120.0° |
| C44 | C46 | H54 | H55 | 118.1° | 120.0° |
| C44 | C46 | C47 | C48 | 137.0° | 180.0° |
| C44 | C46 | C47 | H56 | 16.7° | 60.0° |
| C44 | C46 | C47 | H57 | 102.7° | 60.0° |
| C46 | C44 | N10 | C36 | 87.9° | 120.1° |
| C46 | C44 | C45 | N14 | 71.2° | 141.5° |
| H53 | C44 | C45 | O11 | 133.0° | 158.3° |
| H53 | C44 | C46 | C47 | 31.5° | 55.3° |
| H53 | C44 | C46 | H54 | 152.1° | 175.4° |
| H53 | C44 | C46 | H55 | 89.1° | 64.6° |
| H53 | C44 | N10 | C36 | 30.8° | 0.1° |
| H53 | C44 | C45 | N14 | 46.9° | 21.6° |
| O11 | C45 | N14 | C50 | 0.1° | 1.1° |
| O11 | C45 | N14 | H65 | 179.9° | 179.0° |
| C47 | C46 | H54 | H55 | 118.1° | 120.0° |
| C46 | C47 | C48 | H56 | 120.3° | 120.0° |
| C46 | C47 | C48 | H57 | 120.3° | 120.1° |
| C46 | C47 | H56 | H57 | 119.0° | 120.0° |
| C46 | C47 | C48 | N11 | 76.2° | 180.0° |
| C46 | C47 | C48 | H58 | 163.4° | 60.0° |
| C46 | C47 | C48 | H59 | 44.2° | 60.0° |
| H54 | C46 | C47 | C48 | 102.4° | 60.0° |
| H54 | C46 | C47 | H56 | 137.3° | 180.0° |
| H54 | C46 | C47 | H57 | 17.9° | 60.0° |
| H55 | C46 | C47 | C48 | 16.4° | 60.0° |
| H55 | C46 | C47 | H56 | 103.9° | 60.0° |
| H55 | C46 | C47 | H57 | 136.7° | 180.0° |
| C48 | C47 | H56 | H57 | 119.1° | 119.9° |
| C47 | C48 | N11 | H58 | 120.4° | 120.0° |
| C47 | C48 | N11 | H59 | 120.4° | 120.0° |
| C47 | C48 | H58 | H59 | 118.8° | 120.0° |
| C47 | C48 | N11 | C49 | 168.0° | 180.0° |
| C47 | C48 | N11 | H60 | 12.0° | 0.0° |
| H56 | C47 | C48 | N11 | 44.1° | 60.0° |
| H56 | C47 | C48 | H58 | 76.3° | 180.0° |
| H56 | C47 | C48 | H59 | 164.5° | 60.0° |
| H57 | C47 | C48 | N11 | 163.5° | 59.9° |
| H57 | C47 | C48 | H58 | 43.2° | 60.0° |
| H57 | C47 | C48 | H59 | 76.1° | 179.9° |
| N11 | C48 | H58 | H59 | 118.9° | 120.0° |
| C48 | N11 | C49 | H60 | 180.0° | 180.0° |
| C48 | N11 | C49 | N12 | 0.1° | 0.0° |
| C48 | N11 | C49 | N13 | 179.9° | 180.0° |
| H58 | C48 | N11 | C49 | 71.6° | 60.0° |
| H58 | C48 | N11 | H60 | 108.4° | 120.0° |
| H59 | C48 | N11 | C49 | 47.6° | 60.0° |
| H59 | C48 | N11 | H60 | 132.4° | 120.0° |
| N11 | C49 | N12 | N13 | 180.0° | 180.0° |
| N11 | C49 | N12 | H61 | 180.0° | 0.0° |
| N11 | C49 | N12 | H62 | 0.0° | 180.0° |
| N11 | C49 | N13 | H63 | 180.0° | 180.0° |
| N11 | C49 | N13 | H64 | 0.0° | 0.0° |
| H60 | N11 | C49 | N12 | 179.9° | 180.0° |
| H60 | N11 | C49 | N13 | 0.1° | 0.0° |
| C49 | N12 | H61 | H62 | 180.0° | 180.0° |
| N12 | C49 | N13 | H63 | 0.0° | 0.1° |
| N12 | C49 | N13 | H64 | 180.0° | 180.0° |
| N13 | C49 | N12 | H61 | 0.0° | 180.0° |
| N13 | C49 | N12 | H62 | 180.0° | 0.0° |
| C49 | N13 | H63 | H64 | 180.0° | 179.9° |
| C50 | N14 | H65 | C45 | 180.0° | 179.9° |
| N14 | C50 | C51 | C52 | 122.2° | 121.1° |
| N14 | C50 | C51 | H66 | 119.8° | 119.6° |
| N14 | C50 | C52 | H66 | 119.4° | 119.4° |
| N14 | C50 | C51 | O12 | 112.3° | 106.2° |
| N14 | C50 | C52 | C53 | 52.2° | 65.0° |
| N14 | C50 | C52 | H67 | 68.4° | 55.0° |
| N14 | C50 | C52 | H68 | 172.8° | 174.9° |
| N14 | C50 | C51 | N18 | 67.7° | 73.7° |
| H65 | N14 | C50 | C51 | 88.6° | 31.6° |
| H65 | N14 | C50 | C52 | 33.4° | 89.5° |
| H65 | N14 | C50 | H66 | 152.2° | 151.1° |
| C51 | C50 | C52 | H66 | 118.0° | 119.2° |
| C50 | C51 | O12 | N18 | 180.0° | 179.9° |
| C51 | C50 | C52 | C53 | 174.7° | 173.6° |
| C51 | C50 | C52 | H67 | 54.1° | 66.3° |
| C51 | C50 | C52 | H68 | 64.7° | 53.6° |
| C50 | C51 | N18 | C56 | 180.0° | 176.3° |
| C50 | C51 | N18 | H78 | 0.0° | 4.3° |
| C51 | C50 | N14 | C45 | 91.4° | 148.2° |
| C52 | C50 | C51 | O12 | 9.9° | 132.7° |
| C50 | C52 | C53 | H67 | 120.6° | 120.0° |
| C50 | C52 | C53 | H68 | 120.6° | 120.0° |
| C50 | C52 | H67 | H68 | 118.1° | 120.0° |
| C50 | C52 | C53 | C54 | 115.4° | 180.0° |
| C50 | C52 | C53 | H69 | 4.9° | 60.0° |
| C50 | C52 | C53 | H70 | 124.3° | 60.0° |
| C52 | C50 | N14 | C45 | 146.6° | 90.6° |
| C52 | C50 | C51 | N18 | 170.1° | 47.5° |
| H66 | C50 | C51 | O12 | 127.9° | 13.4° |
| H66 | C50 | C52 | C53 | 67.3° | 54.4° |
| H66 | C50 | C52 | H67 | 172.1° | 174.4° |
| H66 | C50 | C52 | H68 | 53.3° | 65.6° |
| H66 | C50 | N14 | C45 | 27.8° | 28.7° |
| H66 | C50 | C51 | N18 | 52.1° | 166.7° |
| O12 | C51 | N18 | C56 | 0.1° | 3.8° |
| O12 | C51 | N18 | H78 | 179.9° | 175.6° |
| C53 | C52 | H67 | H68 | 118.2° | 120.0° |
| C52 | C53 | C54 | H69 | 120.3° | 120.0° |
| C52 | C53 | C54 | H70 | 120.3° | 120.0° |
| C52 | C53 | H69 | H70 | 119.1° | 120.0° |
| C52 | C53 | C54 | N15 | 161.6° | 180.0° |
| C52 | C53 | C54 | H71 | 78.0° | 60.0° |
| C52 | C53 | C54 | H72 | 41.3° | 60.0° |
| H67 | C52 | C53 | C54 | 124.0° | 60.0° |
| H67 | C52 | C53 | H69 | 115.7° | 180.0° |
| H67 | C52 | C53 | H70 | 3.7° | 60.0° |
| H68 | C52 | C53 | C54 | 5.2° | 60.0° |
| H68 | C52 | C53 | H69 | 125.5° | 60.0° |
| H68 | C52 | C53 | H70 | 115.1° | 180.0° |
| C54 | C53 | H69 | H70 | 119.1° | 120.0° |
| C53 | C54 | N15 | H71 | 120.4° | 120.0° |
| C53 | C54 | N15 | H72 | 120.4° | 120.1° |
| C53 | C54 | H71 | H72 | 118.9° | 120.0° |
| C53 | C54 | N15 | C55 | 178.5° | 180.0° |
| C53 | C54 | N15 | H73 | 1.5° | 0.0° |
| H69 | C53 | C54 | N15 | 41.3° | 60.0° |
| H69 | C53 | C54 | H71 | 161.7° | 180.0° |
| H69 | C53 | C54 | H72 | 79.0° | 60.0° |
| H70 | C53 | C54 | N15 | 78.1° | 60.0° |
| H70 | C53 | C54 | H71 | 42.3° | 60.0° |
| H70 | C53 | C54 | H72 | 161.5° | 180.0° |
| N15 | C54 | H71 | H72 | 118.9° | 120.0° |
| C54 | N15 | C55 | H73 | 180.0° | 179.9° |
| C54 | N15 | C55 | N16 | 0.1° | 0.0° |
| C54 | N15 | C55 | N17 | 179.9° | 180.0° |
| H71 | C54 | N15 | C55 | 61.2° | 60.0° |
| H71 | C54 | N15 | H73 | 118.8° | 120.1° |
| H72 | C54 | N15 | C55 | 58.1° | 59.9° |
| H72 | C54 | N15 | H73 | 121.9° | 120.0° |
| N15 | C55 | N16 | N17 | 179.8° | 180.0° |
| N15 | C55 | N16 | H74 | 179.8° | 0.1° |
| N15 | C55 | N16 | H75 | 0.2° | 180.0° |
| N15 | C55 | N17 | H76 | 179.8° | 0.0° |
| N15 | C55 | N17 | H77 | 0.2° | 180.0° |
| H73 | N15 | C55 | N16 | 179.9° | 180.0° |
| H73 | N15 | C55 | N17 | 0.1° | 0.1° |
| C55 | N16 | H74 | H75 | 180.0° | 179.9° |
| N16 | C55 | N17 | H76 | 0.0° | 180.0° |
| N16 | C55 | N17 | H77 | 180.0° | 0.1° |
| N17 | C55 | N16 | H74 | 0.0° | 180.0° |
| N17 | C55 | N16 | H75 | 180.0° | 0.0° |
| C55 | N17 | H76 | H77 | 180.0° | 179.9° |
| C56 | N18 | H78 | C51 | 180.0° | 179.4° |
| N18 | C56 | C57 | C58 | 122.2° | 121.8° |
| N18 | C56 | C57 | H79 | 119.7° | 119.3° |
| N18 | C56 | C58 | H79 | 119.3° | 118.4° |
| N18 | C56 | C57 | O13 | 124.6° | 89.7° |
| N18 | C56 | C58 | C59 | 32.0° | 174.2° |
| N18 | C56 | C58 | H80 | 152.5° | 54.2° |
| N18 | C56 | C58 | H81 | 88.4° | 65.7° |
| N18 | C56 | C57 | N1 | 48.4° | 90.1° |
| H78 | N18 | C56 | C57 | 42.1° | 27.5° |
| H78 | N18 | C56 | C58 | 80.0° | 94.7° |
| H78 | N18 | C56 | H79 | 161.3° | 146.9° |
| C57 | C56 | C58 | H79 | 118.1° | 118.9° |
| C56 | C57 | O13 | N1 | 173.0° | 179.8° |
| C57 | C56 | C58 | C59 | 90.6° | 63.2° |
| C57 | C56 | C58 | H80 | 29.9° | 176.9° |
| C57 | C56 | C58 | H81 | 149.0° | 56.9° |
| C57 | C56 | N18 | C51 | 137.9° | 151.9° |
| C58 | C56 | C57 | O13 | 113.1° | 148.5° |
| C56 | C58 | C59 | H80 | 120.5° | 120.0° |
| C56 | C58 | C59 | H81 | 120.4° | 120.1° |
| C56 | C58 | H80 | H81 | 118.6° | 120.0° |
| C56 | C58 | C59 | O14 | 52.2° | 5.8° |
| C56 | C58 | C59 | O15 | 127.9° | 174.2° |
| C58 | C56 | C57 | N1 | 73.9° | 31.8° |
| C58 | C56 | N18 | C51 | 100.0° | 85.9° |
| H79 | C56 | C57 | O13 | 4.9° | 29.6° |
| H79 | C56 | C58 | C59 | 151.4° | 55.7° |
| H79 | C56 | C58 | H80 | 88.2° | 64.2° |
| H79 | C56 | C58 | H81 | 30.9° | 175.8° |
| H79 | C56 | C57 | N1 | 168.1° | 150.6° |
| H79 | C56 | N18 | C51 | 18.7° | 32.5° |
| C59 | C58 | H80 | H81 | 118.6° | 120.0° |
| C58 | C59 | O14 | O15 | 180.0° | 180.0° |
| C58 | C59 | O15 | H82 | 180.0° | 180.0° |
| H80 | C58 | C59 | O14 | 68.3° | 114.2° |
| H80 | C58 | C59 | O15 | 111.7° | 65.8° |
| H81 | C58 | C59 | O14 | 172.6° | 125.9° |
| H81 | C58 | C59 | O15 | 7.4° | 54.1° |
| O14 | C59 | O15 | H82 | 0.0° | 0.0° |
