PRD_000010
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 | 1.51Å | 1.54Å | |
| C1 | C3 | sing | 1.53Å | 1.55Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.22Å | |
| C3 | O2 | sing | 1.45Å | 1.45Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| N2 | C5 | sing | 1.48Å | 1.47Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | C9 | sing | 1.51Å | 1.51Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | C8 | sing | 1.53Å | 1.50Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | O3 | doub | 1.21Å | 1.25Å | |
| N3 | C10 | sing | 1.46Å | 1.46Å | |
| N3 | C14 | sing | 1.46Å | 1.48Å | |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| C10 | C12 | sing | 1.53Å | 1.55Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | O4 | doub | 1.21Å | 1.23Å | |
| C12 | C13 | sing | 1.54Å | 1.50Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| N4 | C15 | sing | 1.48Å | 1.46Å | |
| N4 | C17 | sing | 1.47Å | 1.47Å | |
| C15 | C16 | sing | 1.51Å | 1.55Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | O5 | doub | 1.21Å | 1.22Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| N5 | C18 | sing | 1.46Å | 1.46Å | |
| N5 | C19 | sing | 1.48Å | 1.47Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | C23 | sing | 1.51Å | 1.50Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | O6 | doub | 1.21Å | 1.21Å | |
| C24 | C25 | doub | 1.39Å | 1.51Å | |
| C24 | C26 | sing | 1.49Å | 1.38Å | |
| C24 | C34 | sing | 1.48Å | 1.42Å | |
| C25 | O7 | sing | 1.35Å | 1.23Å | |
| O7 | H39 | sing | 0.97Å | 0.95Å | |
| C26 | N6 | doub | 1.31Å | 1.32Å | |
| C26 | C27 | sing | 1.49Å | 1.52Å | |
| N6 | H40 | sing | 0.97Å | 1.00Å | |
| C27 | O8 | doub | 1.22Å | 1.25Å | |
| C27 | C28 | sing | 1.40Å | 1.43Å | |
| C28 | C35 | doub | 1.37Å | 1.35Å | |
| C28 | C38 | sing | 1.51Å | 1.52Å | |
| O9 | C35 | sing | 1.35Å | 1.35Å | |
| O9 | C36 | sing | 1.36Å | 1.38Å | |
| C29 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| C29 | C36 | sing | 1.39Å | 1.38Å | Aromatic |
| C29 | C39 | sing | 1.51Å | 1.52Å | |
| C30 | C31 | sing | 1.39Å | 1.41Å | Aromatic |
| C30 | N8 | sing | 1.39Å | 1.34Å | |
| C31 | C32 | doub | 1.38Å | 1.37Å | Aromatic |
| C31 | H41 | sing | 1.08Å | 1.08Å | |
| C32 | C33 | sing | 1.48Å | 1.52Å | |
| C32 | C37 | sing | 1.42Å | 1.41Å | Aromatic |
| C33 | O10 | doub | 1.22Å | 1.24Å | |
| N7 | C34 | doub | 1.31Å | 1.33Å | |
| N7 | C37 | sing | 1.35Å | 1.38Å | |
| C34 | C35 | sing | 1.47Å | 1.47Å | |
| C36 | C37 | doub | 1.40Å | 1.40Å | Aromatic |
| C38 | H42 | sing | 1.09Å | 1.10Å | |
| C38 | H43 | sing | 1.09Å | 1.10Å | |
| C38 | H44 | sing | 1.09Å | 1.10Å | |
| C39 | H45 | sing | 1.09Å | 1.10Å | |
| C39 | H46 | sing | 1.09Å | 1.10Å | |
| C39 | H47 | sing | 1.09Å | 1.10Å | |
| N8 | H48 | sing | 0.97Å | 1.00Å | |
| N8 | H49 | sing | 0.97Å | 1.00Å | |
| N9 | C40 | sing | 1.46Å | 1.46Å | |
| N9 | H50 | sing | 0.97Å | 1.00Å | |
| C40 | C41 | sing | 1.51Å | 1.54Å | |
| C40 | C42 | sing | 1.53Å | 1.55Å | |
| C40 | H51 | sing | 1.09Å | 1.10Å | |
| C41 | O11 | doub | 1.21Å | 1.22Å | |
| C42 | O12 | sing | 1.45Å | 1.45Å | |
| C42 | C43 | sing | 1.53Å | 1.52Å | |
| C42 | H52 | sing | 1.09Å | 1.10Å | |
| C43 | H53 | sing | 1.09Å | 1.10Å | |
| C43 | H54 | sing | 1.09Å | 1.10Å | |
| C43 | H55 | sing | 1.09Å | 1.10Å | |
| N10 | C44 | sing | 1.48Å | 1.47Å | |
| N10 | H56 | sing | 0.97Å | 1.00Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C44 | C48 | sing | 1.51Å | 1.50Å | |
| C44 | H57 | sing | 1.09Å | 1.10Å | |
| C45 | C46 | sing | 1.53Å | 1.52Å | |
| C45 | C47 | sing | 1.53Å | 1.51Å | |
| C45 | H58 | sing | 1.09Å | 1.10Å | |
| C46 | H59 | sing | 1.09Å | 1.10Å | |
| C46 | H60 | sing | 1.09Å | 1.10Å | |
| C46 | H61 | sing | 1.09Å | 1.10Å | |
| C47 | H62 | sing | 1.09Å | 1.10Å | |
| C47 | H63 | sing | 1.09Å | 1.10Å | |
| C47 | H64 | sing | 1.09Å | 1.10Å | |
| C48 | O13 | doub | 1.21Å | 1.25Å | |
| N11 | C49 | sing | 1.47Å | 1.46Å | |
| N11 | C53 | sing | 1.46Å | 1.47Å | |
| C49 | C50 | sing | 1.51Å | 1.54Å | |
| C49 | C51 | sing | 1.53Å | 1.56Å | |
| C49 | H65 | sing | 1.09Å | 1.10Å | |
| C50 | O14 | doub | 1.21Å | 1.23Å | |
| C51 | C52 | sing | 1.54Å | 1.50Å | |
| C51 | H66 | sing | 1.09Å | 1.10Å | |
| C51 | H67 | sing | 1.09Å | 1.10Å | |
| C52 | C53 | sing | 1.53Å | 1.51Å | |
| C52 | H68 | sing | 1.09Å | 1.10Å | |
| C52 | H69 | sing | 1.09Å | 1.10Å | |
| C53 | H70 | sing | 1.09Å | 1.10Å | |
| C53 | H71 | sing | 1.09Å | 1.10Å | |
| N12 | C54 | sing | 1.48Å | 1.46Å | |
| N12 | C56 | sing | 1.46Å | 1.48Å | |
| C54 | C55 | sing | 1.51Å | 1.53Å | |
| C54 | H72 | sing | 1.09Å | 1.10Å | |
| C54 | H73 | sing | 1.09Å | 1.10Å | |
| C55 | O15 | doub | 1.21Å | 1.22Å | |
| C56 | H74 | sing | 1.09Å | 1.10Å | |
| C56 | H75 | sing | 1.09Å | 1.10Å | |
| C56 | H76 | sing | 1.09Å | 1.10Å | |
| N13 | C57 | sing | 1.46Å | 1.46Å | |
| N13 | C58 | sing | 1.48Å | 1.48Å | |
| C57 | H77 | sing | 1.09Å | 1.10Å | |
| C57 | H78 | sing | 1.09Å | 1.10Å | |
| C57 | H79 | sing | 1.09Å | 1.10Å | |
| C58 | C59 | sing | 1.53Å | 1.53Å | |
| C58 | C62 | sing | 1.51Å | 1.50Å | |
| C58 | H80 | sing | 1.09Å | 1.10Å | |
| C59 | C60 | sing | 1.53Å | 1.52Å | |
| C59 | C61 | sing | 1.53Å | 1.52Å | |
| C59 | H81 | sing | 1.09Å | 1.10Å | |
| C60 | H82 | sing | 1.09Å | 1.10Å | |
| C60 | H83 | sing | 1.09Å | 1.10Å | |
| C60 | H84 | sing | 1.09Å | 1.10Å | |
| C61 | H85 | sing | 1.09Å | 1.10Å | |
| C61 | H86 | sing | 1.09Å | 1.10Å | |
| C61 | H87 | sing | 1.09Å | 1.10Å | |
| C62 | O16 | doub | 1.21Å | 1.21Å | |
| C2 | N2 | sing | 1.37Å | 1.33Å | |
| N1 | C25 | sing | 1.36Å | 1.35Å | |
| O2 | C23 | sing | 1.34Å | 1.35Å | |
| C9 | N3 | sing | 1.35Å | 1.32Å | |
| C11 | N4 | sing | 1.37Å | 1.33Å | |
| C16 | N5 | sing | 1.36Å | 1.33Å | |
| C33 | N9 | sing | 1.35Å | 1.33Å | |
| O12 | C62 | sing | 1.34Å | 1.35Å | |
| C41 | N10 | sing | 1.37Å | 1.33Å | |
| C48 | N11 | sing | 1.35Å | 1.33Å | |
| C50 | N12 | sing | 1.37Å | 1.33Å | |
| C55 | N13 | sing | 1.36Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 107.4° | 120.1° |
| N1 | C1 | C2 | 108.3° | 109.5° |
| N1 | C1 | C3 | 112.9° | 109.5° |
| N1 | C1 | H2 | 111.0° | 109.5° |
| C1 | N1 | C25 | 117.5° | 120.0° |
| H1 | N1 | C25 | 107.5° | 120.0° |
| C2 | C1 | C3 | 104.7° | 109.5° |
| C2 | C1 | H2 | 109.9° | 109.5° |
| C1 | C2 | O1 | 122.8° | 120.7° |
| C1 | C2 | N2 | 113.2° | 118.6° |
| C3 | C1 | H2 | 109.8° | 109.5° |
| C1 | C3 | O2 | 103.6° | 109.5° |
| C1 | C3 | C4 | 113.8° | 109.5° |
| C1 | C3 | H3 | 109.4° | 109.5° |
| O1 | C2 | N2 | 122.4° | 120.7° |
| O2 | C3 | C4 | 109.1° | 109.4° |
| O2 | C3 | H3 | 110.8° | 109.5° |
| C3 | O2 | C23 | 122.7° | 116.9° |
| C4 | C3 | H3 | 109.9° | 109.5° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| C3 | C4 | H5 | 109.5° | 109.5° |
| C3 | C4 | H6 | 109.5° | 109.4° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| H4 | C4 | H6 | 109.5° | 109.4° |
| H5 | C4 | H6 | 109.4° | 109.5° |
| C5 | N2 | H7 | 121.4° | 122.8° |
| N2 | C5 | C6 | 112.3° | 109.7° |
| N2 | C5 | C9 | 111.3° | 108.2° |
| N2 | C5 | H8 | 106.8° | 109.8° |
| C5 | N2 | C2 | 117.3° | 114.3° |
| H7 | N2 | C2 | 121.3° | 122.9° |
| C6 | C5 | C9 | 113.3° | 109.7° |
| C6 | C5 | H8 | 106.1° | 109.7° |
| C5 | C6 | C7 | 111.9° | 109.5° |
| C5 | C6 | C8 | 115.8° | 109.5° |
| C5 | C6 | H9 | 105.1° | 109.5° |
| C9 | C5 | H8 | 106.4° | 109.7° |
| C5 | C9 | O3 | 117.9° | 119.9° |
| C5 | C9 | N3 | 116.9° | 120.2° |
| C7 | C6 | C8 | 112.3° | 109.5° |
| C7 | C6 | H9 | 105.3° | 109.4° |
| C6 | C7 | H10 | 109.5° | 109.5° |
| C6 | C7 | H11 | 109.5° | 109.5° |
| C6 | C7 | H12 | 109.5° | 109.5° |
| C8 | C6 | H9 | 105.4° | 109.5° |
| C6 | C8 | H13 | 109.5° | 109.5° |
| C6 | C8 | H14 | 109.5° | 109.5° |
| C6 | C8 | H15 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.4° |
| H10 | C7 | H12 | 109.4° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.4° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| H13 | C8 | H15 | 109.5° | 109.4° |
| H14 | C8 | H15 | 109.4° | 109.5° |
| O3 | C9 | N3 | 125.1° | 119.9° |
| C10 | N3 | C14 | 109.0° | 109.0° |
| N3 | C10 | C11 | 115.0° | 109.7° |
| N3 | C10 | C12 | 102.6° | 107.8° |
| N3 | C10 | H16 | 110.8° | 109.8° |
| C10 | N3 | C9 | 124.0° | 125.4° |
| N3 | C14 | C13 | 105.1° | 107.7° |
| N3 | C14 | H21 | 110.5° | 109.8° |
| N3 | C14 | H22 | 110.5° | 109.8° |
| C14 | N3 | C9 | 125.8° | 125.6° |
| C11 | C10 | C12 | 108.7° | 109.8° |
| C11 | C10 | H16 | 109.8° | 109.8° |
| C10 | C11 | O4 | 120.7° | 120.8° |
| C10 | C11 | N4 | 115.3° | 118.4° |
| C12 | C10 | H16 | 109.6° | 109.9° |
| C10 | C12 | C13 | 107.1° | 106.1° |
| C10 | C12 | H17 | 110.1° | 110.2° |
| C10 | C12 | H18 | 110.1° | 110.2° |
| O4 | C11 | N4 | 123.9° | 120.8° |
| C13 | C12 | H17 | 110.0° | 110.1° |
| C13 | C12 | H18 | 110.1° | 110.1° |
| C12 | C13 | C14 | 106.7° | 105.9° |
| C12 | C13 | H19 | 110.2° | 110.1° |
| C12 | C13 | H20 | 110.2° | 110.1° |
| H17 | C12 | H18 | 109.5° | 110.2° |
| C14 | C13 | H19 | 110.1° | 110.2° |
| C14 | C13 | H20 | 110.2° | 110.2° |
| C13 | C14 | H21 | 110.5° | 109.8° |
| C13 | C14 | H22 | 110.5° | 109.8° |
| H19 | C13 | H20 | 109.5° | 110.2° |
| H21 | C14 | H22 | 109.5° | 109.8° |
| C15 | N4 | C17 | 115.6° | 122.8° |
| N4 | C15 | C16 | 106.4° | 108.3° |
| N4 | C15 | H23 | 110.2° | 109.7° |
| N4 | C15 | H24 | 110.2° | 109.6° |
| C15 | N4 | C11 | 122.6° | 114.5° |
| N4 | C17 | H25 | 109.5° | 109.5° |
| N4 | C17 | H26 | 109.5° | 109.5° |
| N4 | C17 | H27 | 109.5° | 109.5° |
| C17 | N4 | C11 | 121.1° | 122.8° |
| C16 | C15 | H23 | 110.2° | 109.7° |
| C16 | C15 | H24 | 110.2° | 109.8° |
| C15 | C16 | O5 | 118.1° | 120.5° |
| C15 | C16 | N5 | 115.0° | 119.0° |
| H23 | C15 | H24 | 109.5° | 109.8° |
| O5 | C16 | N5 | 126.9° | 120.5° |
| H25 | C17 | H26 | 109.5° | 109.5° |
| H25 | C17 | H27 | 109.5° | 109.4° |
| H26 | C17 | H27 | 109.5° | 109.5° |
| C18 | N5 | C19 | 117.1° | 122.0° |
| N5 | C18 | H28 | 109.5° | 109.5° |
| N5 | C18 | H29 | 109.5° | 109.4° |
| N5 | C18 | H30 | 109.5° | 109.5° |
| C18 | N5 | C16 | 121.0° | 122.0° |
| N5 | C19 | C20 | 117.5° | 109.6° |
| N5 | C19 | C23 | 113.9° | 108.8° |
| N5 | C19 | H31 | 102.0° | 109.6° |
| C19 | N5 | C16 | 121.4° | 116.0° |
| H28 | C18 | H29 | 109.4° | 109.5° |
| H28 | C18 | H30 | 109.5° | 109.5° |
| H29 | C18 | H30 | 109.5° | 109.5° |
| C20 | C19 | C23 | 116.5° | 109.6° |
| C20 | C19 | H31 | 101.5° | 109.6° |
| C19 | C20 | C21 | 111.1° | 109.5° |
| C19 | C20 | C22 | 113.5° | 109.4° |
| C19 | C20 | H32 | 106.9° | 109.5° |
| C23 | C19 | H31 | 101.7° | 109.6° |
| C19 | C23 | O6 | 127.3° | 119.9° |
| C19 | C23 | O2 | 110.0° | 120.1° |
| C21 | C20 | C22 | 110.9° | 109.5° |
| C21 | C20 | H32 | 107.2° | 109.5° |
| C20 | C21 | H33 | 109.5° | 109.5° |
| C20 | C21 | H34 | 109.5° | 109.4° |
| C20 | C21 | H35 | 109.5° | 109.5° |
| C22 | C20 | H32 | 106.9° | 109.4° |
| C20 | C22 | H36 | 109.5° | 109.5° |
| C20 | C22 | H37 | 109.5° | 109.4° |
| C20 | C22 | H38 | 109.5° | 109.4° |
| H33 | C21 | H34 | 109.5° | 109.5° |
| H33 | C21 | H35 | 109.4° | 109.5° |
| H34 | C21 | H35 | 109.5° | 109.5° |
| H36 | C22 | H37 | 109.5° | 109.5° |
| H36 | C22 | H38 | 109.4° | 109.5° |
| H37 | C22 | H38 | 109.5° | 109.4° |
| O6 | C23 | O2 | 122.6° | 120.0° |
| C25 | C24 | C26 | 120.2° | 122.9° |
| C25 | C24 | C34 | 118.6° | 122.9° |
| C24 | C25 | O7 | 120.1° | 120.0° |
| C24 | C25 | N1 | 111.6° | 120.0° |
| C26 | C24 | C34 | 121.2° | 114.2° |
| C24 | C26 | N6 | 126.9° | 122.1° |
| C24 | C26 | C27 | 119.3° | 115.8° |
| C24 | C34 | N7 | 120.1° | 122.4° |
| C24 | C34 | C35 | 117.3° | 117.9° |
| C25 | O7 | H39 | 109.5° | 117.0° |
| O7 | C25 | N1 | 120.8° | 120.0° |
| N6 | C26 | C27 | 113.8° | 122.1° |
| C26 | N6 | H40 | 112.0° | 120.0° |
| C26 | C27 | O8 | 115.7° | 120.2° |
| C26 | C27 | C28 | 118.8° | 119.7° |
| O8 | C27 | C28 | 124.6° | 120.2° |
| C27 | C28 | C35 | 118.8° | 122.0° |
| C27 | C28 | C38 | 119.5° | 119.0° |
| C35 | C28 | C38 | 121.6° | 119.0° |
| C28 | C35 | O9 | 119.0° | 121.4° |
| C28 | C35 | C34 | 124.3° | 120.5° |
| C28 | C38 | H42 | 109.5° | 109.4° |
| C28 | C38 | H43 | 109.5° | 109.5° |
| C28 | C38 | H44 | 109.4° | 109.5° |
| C35 | O9 | C36 | 121.6° | 116.3° |
| O9 | C35 | C34 | 116.7° | 118.0° |
| O9 | C36 | C29 | 116.7° | 119.6° |
| O9 | C36 | C37 | 119.2° | 120.5° |
| C30 | C29 | C36 | 117.3° | 120.4° |
| C30 | C29 | C39 | 121.5° | 119.8° |
| C29 | C30 | C31 | 119.8° | 120.5° |
| C29 | C30 | N8 | 119.5° | 119.8° |
| C36 | C29 | C39 | 120.6° | 119.8° |
| C29 | C36 | C37 | 123.8° | 119.9° |
| C29 | C39 | H45 | 109.5° | 109.5° |
| C29 | C39 | H46 | 109.5° | 109.5° |
| C29 | C39 | H47 | 109.4° | 109.5° |
| C31 | C30 | N8 | 120.4° | 119.7° |
| C30 | C31 | C32 | 121.3° | 119.7° |
| C30 | C31 | H41 | 119.3° | 119.9° |
| C30 | N8 | H48 | 109.5° | 119.9° |
| C30 | N8 | H49 | 109.5° | 120.0° |
| C32 | C31 | H41 | 119.3° | 120.4° |
| C31 | C32 | C33 | 117.7° | 120.2° |
| C31 | C32 | C37 | 120.0° | 120.1° |
| C33 | C32 | C37 | 122.2° | 119.6° |
| C32 | C33 | O10 | 118.5° | 120.0° |
| C32 | C33 | N9 | 115.7° | 120.0° |
| C32 | C37 | N7 | 121.4° | 119.8° |
| C32 | C37 | C36 | 117.2° | 119.3° |
| O10 | C33 | N9 | 121.4° | 120.0° |
| C34 | N7 | C37 | 118.5° | 119.2° |
| N7 | C34 | C35 | 122.5° | 119.7° |
| N7 | C37 | C36 | 121.4° | 120.9° |
| H42 | C38 | H43 | 109.5° | 109.5° |
| H42 | C38 | H44 | 109.5° | 109.5° |
| H43 | C38 | H44 | 109.4° | 109.5° |
| H45 | C39 | H46 | 109.5° | 109.4° |
| H45 | C39 | H47 | 109.5° | 109.5° |
| H46 | C39 | H47 | 109.5° | 109.5° |
| H48 | N8 | H49 | 109.5° | 120.1° |
| C40 | N9 | H50 | 120.0° | 120.0° |
| N9 | C40 | C41 | 108.7° | 109.5° |
| N9 | C40 | C42 | 112.9° | 109.5° |
| N9 | C40 | H51 | 110.5° | 109.5° |
| C40 | N9 | C33 | 120.0° | 120.0° |
| H50 | N9 | C33 | 120.0° | 120.0° |
| C41 | C40 | C42 | 105.7° | 109.4° |
| C41 | C40 | H51 | 109.5° | 109.5° |
| C40 | C41 | O11 | 120.6° | 120.8° |
| C40 | C41 | N10 | 113.3° | 118.6° |
| C42 | C40 | H51 | 109.4° | 109.4° |
| C40 | C42 | O12 | 106.2° | 109.5° |
| C40 | C42 | C43 | 113.4° | 109.5° |
| C40 | C42 | H52 | 108.9° | 109.5° |
| O11 | C41 | N10 | 124.3° | 120.7° |
| O12 | C42 | C43 | 108.7° | 109.5° |
| O12 | C42 | H52 | 110.3° | 109.4° |
| C42 | O12 | C62 | 124.3° | 117.0° |
| C43 | C42 | H52 | 109.3° | 109.4° |
| C42 | C43 | H53 | 109.5° | 109.5° |
| C42 | C43 | H54 | 109.5° | 109.5° |
| C42 | C43 | H55 | 109.5° | 109.5° |
| H53 | C43 | H54 | 109.4° | 109.5° |
| H53 | C43 | H55 | 109.5° | 109.4° |
| H54 | C43 | H55 | 109.5° | 109.4° |
| C44 | N10 | H56 | 119.2° | 122.8° |
| N10 | C44 | C45 | 112.3° | 109.8° |
| N10 | C44 | C48 | 115.8° | 108.2° |
| N10 | C44 | H57 | 104.5° | 109.7° |
| C44 | N10 | C41 | 121.6° | 114.4° |
| H56 | N10 | C41 | 119.2° | 122.8° |
| C45 | C44 | C48 | 114.3° | 109.7° |
| C45 | C44 | H57 | 103.9° | 109.7° |
| C44 | C45 | C46 | 112.6° | 109.5° |
| C44 | C45 | C47 | 115.8° | 109.4° |
| C44 | C45 | H58 | 104.6° | 109.5° |
| C48 | C44 | H57 | 104.2° | 109.7° |
| C44 | C48 | O13 | 121.3° | 119.9° |
| C44 | C48 | N11 | 117.0° | 120.2° |
| C46 | C45 | C47 | 112.9° | 109.5° |
| C46 | C45 | H58 | 104.7° | 109.5° |
| C45 | C46 | H59 | 109.5° | 109.5° |
| C45 | C46 | H60 | 109.5° | 109.4° |
| C45 | C46 | H61 | 109.5° | 109.4° |
| C47 | C45 | H58 | 104.8° | 109.5° |
| C45 | C47 | H62 | 109.5° | 109.5° |
| C45 | C47 | H63 | 109.4° | 109.4° |
| C45 | C47 | H64 | 109.4° | 109.5° |
| H59 | C46 | H60 | 109.5° | 109.5° |
| H59 | C46 | H61 | 109.5° | 109.5° |
| H60 | C46 | H61 | 109.4° | 109.5° |
| H62 | C47 | H63 | 109.5° | 109.5° |
| H62 | C47 | H64 | 109.5° | 109.4° |
| H63 | C47 | H64 | 109.5° | 109.5° |
| O13 | C48 | N11 | 121.3° | 119.9° |
| C49 | N11 | C53 | 110.1° | 109.0° |
| N11 | C49 | C50 | 112.8° | 109.6° |
| N11 | C49 | C51 | 100.8° | 107.8° |
| N11 | C49 | H65 | 112.8° | 109.8° |
| C49 | N11 | C48 | 124.0° | 125.3° |
| N11 | C53 | C52 | 105.6° | 107.7° |
| N11 | C53 | H70 | 110.4° | 109.8° |
| N11 | C53 | H71 | 110.4° | 109.8° |
| C53 | N11 | C48 | 124.5° | 125.6° |
| C50 | C49 | C51 | 107.0° | 109.9° |
| C50 | C49 | H65 | 111.6° | 109.8° |
| C49 | C50 | O14 | 118.3° | 120.8° |
| C49 | C50 | N12 | 115.8° | 118.4° |
| C51 | C49 | H65 | 111.3° | 109.9° |
| C49 | C51 | C52 | 106.1° | 106.2° |
| C49 | C51 | H66 | 110.3° | 110.1° |
| C49 | C51 | H67 | 110.3° | 110.1° |
| O14 | C50 | N12 | 122.0° | 120.8° |
| C52 | C51 | H66 | 110.3° | 110.1° |
| C52 | C51 | H67 | 110.3° | 110.2° |
| C51 | C52 | C53 | 106.2° | 106.0° |
| C51 | C52 | H68 | 110.3° | 110.2° |
| C51 | C52 | H69 | 110.3° | 110.2° |
| H66 | C51 | H67 | 109.5° | 110.1° |
| C53 | C52 | H68 | 110.3° | 110.1° |
| C53 | C52 | H69 | 110.3° | 110.2° |
| C52 | C53 | H70 | 110.4° | 109.8° |
| C52 | C53 | H71 | 110.5° | 109.8° |
| H68 | C52 | H69 | 109.5° | 110.2° |
| H70 | C53 | H71 | 109.5° | 109.8° |
| C54 | N12 | C56 | 116.6° | 122.8° |
| N12 | C54 | C55 | 110.1° | 108.3° |
| N12 | C54 | H72 | 109.3° | 109.7° |
| N12 | C54 | H73 | 109.3° | 109.7° |
| C54 | N12 | C50 | 123.7° | 114.5° |
| N12 | C56 | H74 | 109.5° | 109.5° |
| N12 | C56 | H75 | 109.5° | 109.4° |
| N12 | C56 | H76 | 109.5° | 109.5° |
| C56 | N12 | C50 | 119.3° | 122.8° |
| C55 | C54 | H72 | 109.3° | 109.7° |
| C55 | C54 | H73 | 109.3° | 109.6° |
| C54 | C55 | O15 | 119.7° | 120.4° |
| C54 | C55 | N13 | 116.1° | 119.1° |
| H72 | C54 | H73 | 109.5° | 109.7° |
| O15 | C55 | N13 | 123.7° | 120.5° |
| H74 | C56 | H75 | 109.5° | 109.5° |
| H74 | C56 | H76 | 109.5° | 109.5° |
| H75 | C56 | H76 | 109.4° | 109.4° |
| C57 | N13 | C58 | 116.2° | 122.0° |
| N13 | C57 | H77 | 109.5° | 109.5° |
| N13 | C57 | H78 | 109.4° | 109.5° |
| N13 | C57 | H79 | 109.5° | 109.5° |
| C57 | N13 | C55 | 123.5° | 122.0° |
| N13 | C58 | C59 | 115.3° | 109.6° |
| N13 | C58 | C62 | 115.7° | 108.8° |
| N13 | C58 | H80 | 100.8° | 109.6° |
| C58 | N13 | C55 | 120.0° | 116.0° |
| H77 | C57 | H78 | 109.5° | 109.5° |
| H77 | C57 | H79 | 109.5° | 109.5° |
| H78 | C57 | H79 | 109.5° | 109.5° |
| C59 | C58 | C62 | 119.0° | 109.6° |
| C59 | C58 | H80 | 100.4° | 109.6° |
| C58 | C59 | C60 | 112.3° | 109.5° |
| C58 | C59 | C61 | 114.1° | 109.4° |
| C58 | C59 | H81 | 106.3° | 109.5° |
| C62 | C58 | H80 | 100.6° | 109.6° |
| C58 | C62 | O16 | 127.0° | 119.9° |
| C58 | C62 | O12 | 111.7° | 120.1° |
| C60 | C59 | C61 | 110.7° | 109.4° |
| C60 | C59 | H81 | 106.5° | 109.5° |
| C59 | C60 | H82 | 109.5° | 109.5° |
| C59 | C60 | H83 | 109.4° | 109.5° |
| C59 | C60 | H84 | 109.4° | 109.4° |
| C61 | C59 | H81 | 106.4° | 109.4° |
| C59 | C61 | H85 | 109.5° | 109.5° |
| C59 | C61 | H86 | 109.5° | 109.5° |
| C59 | C61 | H87 | 109.5° | 109.5° |
| H82 | C60 | H83 | 109.5° | 109.5° |
| H82 | C60 | H84 | 109.5° | 109.5° |
| H83 | C60 | H84 | 109.5° | 109.5° |
| H85 | C61 | H86 | 109.4° | 109.4° |
| H85 | C61 | H87 | 109.5° | 109.5° |
| H86 | C61 | H87 | 109.5° | 109.4° |
| O16 | C62 | O12 | 121.2° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C25 | 127.3° | 179.8° |
| N1 | C1 | C2 | C3 | 120.7° | 120.0° |
| N1 | C1 | C2 | H2 | 121.4° | 120.0° |
| N1 | C1 | C3 | H2 | 124.4° | 120.0° |
| N1 | C1 | C2 | O1 | 26.8° | 114.3° |
| N1 | C1 | C3 | O2 | 66.0° | 59.7° |
| N1 | C1 | C3 | C4 | 52.4° | 60.3° |
| N1 | C1 | C3 | H3 | 175.8° | 179.7° |
| C1 | N1 | C25 | C24 | 171.7° | 174.0° |
| C1 | N1 | C25 | O7 | 22.0° | 5.9° |
| N1 | C1 | C2 | N2 | 167.5° | 65.7° |
| H1 | N1 | C1 | C2 | 13.0° | 105.7° |
| H1 | N1 | C1 | C3 | 128.5° | 14.3° |
| H1 | N1 | C1 | H2 | 107.8° | 134.3° |
| H1 | N1 | C25 | C24 | 67.1° | 5.8° |
| H1 | N1 | C25 | O7 | 143.1° | 174.3° |
| C2 | C1 | C3 | H2 | 118.0° | 120.0° |
| C1 | C2 | O1 | N2 | 164.4° | 180.0° |
| C2 | C1 | C3 | O2 | 51.6° | 60.3° |
| C2 | C1 | C3 | C4 | 170.0° | 179.8° |
| C2 | C1 | C3 | H3 | 66.6° | 59.7° |
| C1 | C2 | N2 | C5 | 170.4° | 179.6° |
| C1 | C2 | N2 | H7 | 9.6° | 0.4° |
| C2 | C1 | N1 | C25 | 134.2° | 74.1° |
| C3 | C1 | C2 | O1 | 93.9° | 5.6° |
| C1 | C3 | O2 | C4 | 121.6° | 120.0° |
| C1 | C3 | O2 | H3 | 117.2° | 120.0° |
| C1 | C3 | C4 | H3 | 123.1° | 120.0° |
| C1 | C3 | C4 | H4 | 180.0° | 43.3° |
| C1 | C3 | C4 | H5 | 60.0° | 163.4° |
| C1 | C3 | C4 | H6 | 60.0° | 76.5° |
| C3 | C1 | C2 | N2 | 71.8° | 174.4° |
| C3 | C1 | N1 | C25 | 110.4° | 165.9° |
| C1 | C3 | O2 | C23 | 150.5° | 176.0° |
| H2 | C1 | C2 | O1 | 148.2° | 125.6° |
| H2 | C1 | C3 | O2 | 169.6° | 179.7° |
| H2 | C1 | C3 | C4 | 72.0° | 59.8° |
| H2 | C1 | C3 | H3 | 51.4° | 60.3° |
| H2 | C1 | C2 | N2 | 46.1° | 54.4° |
| H2 | C1 | N1 | C25 | 13.4° | 45.9° |
| O1 | C2 | N2 | C5 | 4.6° | 0.4° |
| O1 | C2 | N2 | H7 | 175.4° | 179.6° |
| O2 | C3 | C4 | H3 | 121.7° | 120.0° |
| O2 | C3 | C4 | H4 | 64.8° | 76.7° |
| O2 | C3 | C4 | H5 | 175.2° | 43.4° |
| O2 | C3 | C4 | H6 | 55.2° | 163.4° |
| C3 | O2 | C23 | C19 | 167.8° | 180.0° |
| C3 | O2 | C23 | O6 | 9.4° | 0.1° |
| C3 | C4 | H4 | H5 | 120.0° | 120.1° |
| C3 | C4 | H4 | H6 | 120.0° | 119.9° |
| C3 | C4 | H5 | H6 | 120.0° | 120.0° |
| C4 | C3 | O2 | C23 | 87.9° | 64.0° |
| H3 | C3 | C4 | H4 | 56.9° | 163.4° |
| H3 | C3 | C4 | H5 | 63.1° | 76.6° |
| H3 | C3 | C4 | H6 | 176.9° | 43.5° |
| H3 | C3 | O2 | C23 | 33.3° | 56.0° |
| H4 | C4 | H5 | H6 | 120.0° | 119.9° |
| C5 | N2 | H7 | C2 | 180.0° | 179.9° |
| N2 | C5 | C6 | C9 | 127.2° | 118.8° |
| N2 | C5 | C6 | H8 | 116.3° | 120.6° |
| N2 | C5 | C9 | H8 | 116.0° | 119.7° |
| N2 | C5 | C6 | C7 | 139.2° | 64.8° |
| N2 | C5 | C6 | C8 | 8.7° | 55.2° |
| N2 | C5 | C6 | H9 | 107.1° | 175.2° |
| N2 | C5 | C9 | O3 | 58.1° | 13.5° |
| N2 | C5 | C9 | N3 | 119.9° | 166.4° |
| H7 | N2 | C5 | C6 | 24.5° | 14.7° |
| H7 | N2 | C5 | C9 | 103.8° | 134.4° |
| H7 | N2 | C5 | H8 | 140.4° | 105.9° |
| C6 | C5 | C9 | H8 | 116.2° | 120.6° |
| C5 | C6 | C7 | C8 | 132.2° | 120.0° |
| C5 | C6 | C7 | H9 | 113.6° | 120.0° |
| C5 | C6 | C8 | H9 | 115.7° | 120.0° |
| C5 | C6 | C7 | H10 | 180.0° | 60.0° |
| C5 | C6 | C7 | H11 | 60.0° | 180.0° |
| C5 | C6 | C7 | H12 | 60.0° | 60.0° |
| C5 | C6 | C8 | H13 | 180.0° | 64.5° |
| C5 | C6 | C8 | H14 | 60.0° | 175.5° |
| C5 | C6 | C8 | H15 | 60.0° | 55.5° |
| C6 | C5 | C9 | O3 | 69.6° | 133.2° |
| C6 | C5 | N2 | C2 | 155.5° | 165.2° |
| C6 | C5 | C9 | N3 | 112.4° | 46.7° |
| C9 | C5 | C6 | C7 | 11.9° | 54.0° |
| C9 | C5 | C6 | C8 | 118.5° | 174.0° |
| C9 | C5 | C6 | H9 | 125.7° | 66.0° |
| C5 | C9 | O3 | N3 | 177.8° | 179.9° |
| C5 | C9 | N3 | C10 | 8.8° | 179.5° |
| C5 | C9 | N3 | C14 | 157.8° | 0.6° |
| C9 | C5 | N2 | C2 | 76.2° | 45.5° |
| H8 | C5 | C6 | C7 | 104.5° | 174.6° |
| H8 | C5 | C6 | C8 | 125.1° | 65.4° |
| H8 | C5 | C6 | H9 | 9.2° | 54.6° |
| H8 | C5 | C9 | O3 | 174.1° | 106.2° |
| H8 | C5 | N2 | C2 | 39.6° | 74.2° |
| H8 | C5 | C9 | N3 | 3.9° | 73.9° |
| C7 | C6 | C8 | H9 | 114.1° | 120.0° |
| C6 | C7 | H10 | H11 | 120.0° | 120.0° |
| C6 | C7 | H10 | H12 | 120.0° | 120.1° |
| C6 | C7 | H11 | H12 | 120.0° | 120.0° |
| C7 | C6 | C8 | H13 | 49.8° | 175.5° |
| C7 | C6 | C8 | H14 | 70.2° | 55.5° |
| C7 | C6 | C8 | H15 | 169.8° | 64.5° |
| C8 | C6 | C7 | H10 | 47.8° | 60.0° |
| C8 | C6 | C7 | H11 | 167.8° | 60.0° |
| C8 | C6 | C7 | H12 | 72.2° | 180.0° |
| C6 | C8 | H13 | H14 | 120.0° | 120.1° |
| C6 | C8 | H13 | H15 | 120.0° | 120.0° |
| C6 | C8 | H14 | H15 | 120.0° | 120.0° |
| H9 | C6 | C7 | H10 | 66.4° | 180.0° |
| H9 | C6 | C7 | H11 | 53.7° | 60.0° |
| H9 | C6 | C7 | H12 | 173.7° | 60.0° |
| H9 | C6 | C8 | H13 | 64.3° | 55.6° |
| H9 | C6 | C8 | H14 | 175.7° | 64.5° |
| H9 | C6 | C8 | H15 | 55.7° | 175.5° |
| H10 | C7 | H11 | H12 | 120.0° | 119.9° |
| H13 | C8 | H14 | H15 | 120.0° | 120.0° |
| O3 | C9 | N3 | C10 | 169.0° | 0.4° |
| O3 | C9 | N3 | C14 | 24.3° | 179.5° |
| C10 | N3 | C14 | C9 | 168.3° | 179.9° |
| N3 | C10 | C11 | C12 | 114.3° | 118.3° |
| N3 | C10 | C11 | H16 | 125.8° | 120.7° |
| N3 | C10 | C12 | H16 | 117.8° | 119.7° |
| N3 | C10 | C11 | O4 | 17.7° | 59.6° |
| N3 | C10 | C12 | C13 | 22.4° | 9.4° |
| N3 | C10 | C12 | H17 | 142.1° | 109.8° |
| N3 | C10 | C12 | H18 | 97.2° | 128.5° |
| C10 | N3 | C14 | C13 | 28.6° | 18.8° |
| C10 | N3 | C14 | H21 | 147.9° | 100.7° |
| C10 | N3 | C14 | H22 | 90.7° | 138.4° |
| N3 | C10 | C11 | N4 | 159.9° | 120.4° |
| C14 | N3 | C10 | C11 | 86.4° | 137.2° |
| C14 | N3 | C10 | C12 | 31.5° | 17.6° |
| C14 | N3 | C10 | H16 | 148.4° | 102.1° |
| N3 | C14 | C13 | C12 | 12.9° | 12.4° |
| N3 | C14 | C13 | H21 | 119.3° | 119.6° |
| N3 | C14 | C13 | H22 | 119.3° | 119.6° |
| N3 | C14 | C13 | H19 | 132.5° | 106.7° |
| N3 | C14 | C13 | H20 | 106.7° | 131.5° |
| N3 | C14 | H21 | H22 | 122.0° | 120.9° |
| C11 | C10 | C12 | H16 | 120.0° | 120.9° |
| C10 | C11 | O4 | N4 | 177.3° | 179.9° |
| C11 | C10 | C12 | C13 | 99.8° | 128.8° |
| C11 | C10 | C12 | H17 | 19.9° | 9.6° |
| C11 | C10 | C12 | H18 | 140.6° | 112.1° |
| C10 | C11 | N4 | C15 | 5.1° | 178.7° |
| C10 | C11 | N4 | C17 | 164.6° | 1.3° |
| C11 | C10 | N3 | C9 | 82.2° | 42.7° |
| C12 | C10 | C11 | O4 | 96.6° | 58.8° |
| C10 | C12 | C13 | H17 | 119.7° | 119.2° |
| C10 | C12 | C13 | H18 | 119.6° | 119.2° |
| C10 | C12 | H17 | H18 | 121.1° | 121.7° |
| C10 | C12 | C13 | C14 | 5.8° | 1.9° |
| C10 | C12 | C13 | H19 | 113.7° | 117.3° |
| C10 | C12 | C13 | H20 | 125.4° | 121.0° |
| C12 | C10 | N3 | C9 | 160.0° | 162.3° |
| C12 | C10 | C11 | N4 | 85.8° | 121.3° |
| H16 | C10 | C11 | O4 | 143.5° | 179.7° |
| H16 | C10 | C12 | C13 | 140.2° | 110.3° |
| H16 | C10 | C12 | H17 | 100.1° | 130.5° |
| H16 | C10 | C12 | H18 | 20.6° | 8.8° |
| H16 | C10 | N3 | C9 | 43.1° | 78.0° |
| H16 | C10 | C11 | N4 | 34.0° | 0.4° |
| O4 | C11 | N4 | C15 | 172.3° | 1.2° |
| O4 | C11 | N4 | C17 | 18.0° | 178.8° |
| C13 | C12 | H17 | H18 | 121.1° | 121.6° |
| C12 | C13 | C14 | H19 | 119.6° | 119.1° |
| C12 | C13 | C14 | H20 | 119.6° | 119.1° |
| C12 | C13 | H19 | H20 | 121.3° | 121.7° |
| C12 | C13 | C14 | H21 | 132.2° | 107.2° |
| C12 | C13 | C14 | H22 | 106.4° | 132.0° |
| H17 | C12 | C13 | C14 | 125.5° | 121.1° |
| H17 | C12 | C13 | H19 | 5.9° | 1.9° |
| H17 | C12 | C13 | H20 | 114.9° | 119.8° |
| H18 | C12 | C13 | C14 | 113.8° | 117.3° |
| H18 | C12 | C13 | H19 | 126.6° | 123.5° |
| H18 | C12 | C13 | H20 | 5.8° | 1.8° |
| C14 | C13 | H19 | H20 | 121.3° | 121.8° |
| C13 | C14 | H21 | H22 | 122.0° | 120.8° |
| C13 | C14 | N3 | C9 | 163.1° | 161.1° |
| H19 | C13 | C14 | H21 | 108.2° | 133.8° |
| H19 | C13 | C14 | H22 | 13.2° | 12.9° |
| H20 | C13 | C14 | H21 | 12.6° | 12.0° |
| H20 | C13 | C14 | H22 | 134.0° | 108.9° |
| H21 | C14 | N3 | C9 | 43.8° | 79.4° |
| H22 | C14 | N3 | C9 | 77.6° | 41.5° |
| C15 | N4 | C17 | C11 | 170.4° | 180.0° |
| N4 | C15 | C16 | H23 | 119.5° | 119.6° |
| N4 | C15 | C16 | H24 | 119.5° | 119.7° |
| N4 | C15 | H23 | H24 | 121.4° | 120.5° |
| N4 | C15 | C16 | O5 | 9.8° | 45.3° |
| C15 | N4 | C17 | H25 | 180.0° | 116.5° |
| C15 | N4 | C17 | H26 | 60.0° | 3.5° |
| C15 | N4 | C17 | H27 | 60.0° | 123.5° |
| N4 | C15 | C16 | N5 | 172.3° | 134.8° |
| C17 | N4 | C15 | C16 | 94.5° | 61.0° |
| C17 | N4 | C15 | H23 | 145.9° | 58.7° |
| C17 | N4 | C15 | H24 | 25.0° | 179.3° |
| N4 | C17 | H25 | H26 | 120.0° | 120.0° |
| N4 | C17 | H25 | H27 | 120.0° | 120.0° |
| N4 | C17 | H26 | H27 | 120.0° | 120.0° |
| C16 | C15 | H23 | H24 | 121.4° | 120.7° |
| C15 | C16 | O5 | N5 | 177.5° | 180.0° |
| C15 | C16 | N5 | C18 | 10.8° | 2.4° |
| C15 | C16 | N5 | C19 | 177.3° | 177.6° |
| C16 | C15 | N4 | C11 | 95.2° | 119.0° |
| H23 | C15 | C16 | O5 | 109.7° | 74.4° |
| H23 | C15 | N4 | C11 | 24.3° | 121.3° |
| H23 | C15 | C16 | N5 | 68.1° | 105.6° |
| H24 | C15 | C16 | O5 | 129.3° | 164.9° |
| H24 | C15 | N4 | C11 | 145.3° | 0.7° |
| H24 | C15 | C16 | N5 | 52.8° | 15.1° |
| O5 | C16 | N5 | C18 | 166.8° | 177.6° |
| O5 | C16 | N5 | C19 | 5.1° | 2.5° |
| H25 | C17 | H26 | H27 | 120.0° | 120.0° |
| H25 | C17 | N4 | C11 | 9.6° | 63.5° |
| H26 | C17 | N4 | C11 | 129.6° | 176.5° |
| H27 | C17 | N4 | C11 | 110.4° | 56.5° |
| C18 | N5 | C19 | C16 | 172.2° | 179.9° |
| N5 | C18 | H28 | H29 | 120.0° | 120.0° |
| N5 | C18 | H28 | H30 | 120.0° | 120.0° |
| N5 | C18 | H29 | H30 | 120.0° | 120.0° |
| C18 | N5 | C19 | C20 | 90.8° | 53.6° |
| C18 | N5 | C19 | C23 | 127.7° | 66.3° |
| C18 | N5 | C19 | H31 | 19.0° | 173.9° |
| C19 | N5 | C18 | H28 | 180.0° | 115.1° |
| C19 | N5 | C18 | H29 | 60.0° | 4.9° |
| C19 | N5 | C18 | H30 | 60.0° | 124.9° |
| N5 | C19 | C20 | C23 | 140.4° | 119.3° |
| N5 | C19 | C20 | H31 | 110.1° | 120.3° |
| N5 | C19 | C23 | H31 | 108.9° | 119.9° |
| N5 | C19 | C20 | C21 | 39.4° | 174.7° |
| N5 | C19 | C20 | C22 | 165.1° | 54.7° |
| N5 | C19 | C20 | H32 | 77.2° | 65.3° |
| N5 | C19 | C23 | O6 | 116.7° | 107.1° |
| N5 | C19 | C23 | O2 | 66.3° | 72.9° |
| H28 | C18 | H29 | H30 | 120.0° | 120.0° |
| H28 | C18 | N5 | C16 | 7.8° | 64.8° |
| H29 | C18 | N5 | C16 | 127.8° | 175.2° |
| H30 | C18 | N5 | C16 | 112.2° | 55.2° |
| C20 | C19 | C23 | H31 | 109.3° | 120.3° |
| C19 | C20 | C21 | C22 | 127.2° | 120.0° |
| C19 | C20 | C21 | H32 | 116.4° | 120.0° |
| C19 | C20 | C22 | H32 | 117.6° | 120.0° |
| C19 | C20 | C21 | H33 | 180.0° | 64.7° |
| C19 | C20 | C21 | H34 | 60.0° | 175.3° |
| C19 | C20 | C21 | H35 | 60.0° | 55.3° |
| C19 | C20 | C22 | H36 | 180.0° | 65.1° |
| C19 | C20 | C22 | H37 | 60.0° | 174.8° |
| C19 | C20 | C22 | H38 | 60.0° | 54.9° |
| C20 | C19 | C23 | O6 | 25.1° | 12.7° |
| C20 | C19 | C23 | O2 | 151.9° | 167.4° |
| C20 | C19 | N5 | C16 | 97.0° | 126.5° |
| C23 | C19 | C20 | C21 | 101.0° | 66.0° |
| C23 | C19 | C20 | C22 | 24.7° | 174.0° |
| C23 | C19 | C20 | H32 | 142.3° | 54.1° |
| C19 | C23 | O6 | O2 | 176.7° | 179.9° |
| C23 | C19 | N5 | C16 | 44.5° | 113.7° |
| H31 | C19 | C20 | C21 | 149.5° | 54.4° |
| H31 | C19 | C20 | C22 | 84.7° | 65.7° |
| H31 | C19 | C20 | H32 | 32.9° | 174.4° |
| H31 | C19 | C23 | O6 | 134.4° | 133.0° |
| H31 | C19 | C23 | O2 | 42.6° | 47.0° |
| H31 | C19 | N5 | C16 | 153.2° | 6.2° |
| C21 | C20 | C22 | H32 | 116.5° | 120.1° |
| C20 | C21 | H33 | H34 | 120.0° | 119.9° |
| C20 | C21 | H33 | H35 | 120.0° | 120.0° |
| C20 | C21 | H34 | H35 | 120.0° | 120.0° |
| C21 | C20 | C22 | H36 | 54.2° | 174.9° |
| C21 | C20 | C22 | H37 | 65.8° | 54.8° |
| C21 | C20 | C22 | H38 | 174.2° | 65.1° |
| C22 | C20 | C21 | H33 | 52.8° | 55.2° |
| C22 | C20 | C21 | H34 | 172.8° | 64.7° |
| C22 | C20 | C21 | H35 | 67.1° | 175.3° |
| C20 | C22 | H36 | H37 | 120.0° | 120.0° |
| C20 | C22 | H36 | H38 | 120.0° | 120.0° |
| C20 | C22 | H37 | H38 | 120.0° | 119.9° |
| H32 | C20 | C21 | H33 | 63.6° | 175.2° |
| H32 | C20 | C21 | H34 | 56.4° | 55.3° |
| H32 | C20 | C21 | H35 | 176.5° | 64.7° |
| H32 | C20 | C22 | H36 | 62.4° | 54.8° |
| H32 | C20 | C22 | H37 | 177.6° | 65.2° |
| H32 | C20 | C22 | H38 | 57.6° | 174.9° |
| H33 | C21 | H34 | H35 | 120.0° | 120.1° |
| H36 | C22 | H37 | H38 | 120.0° | 120.1° |
| C25 | C24 | C26 | C34 | 177.4° | 179.8° |
| C24 | C25 | O7 | N1 | 147.2° | 179.9° |
| C24 | C25 | O7 | H39 | 180.0° | 0.0° |
| C25 | C24 | C26 | N6 | 0.3° | 36.3° |
| C25 | C24 | C26 | C27 | 178.7° | 143.6° |
| C25 | C24 | C34 | N7 | 3.2° | 33.4° |
| C25 | C24 | C34 | C35 | 179.0° | 147.6° |
| C26 | C24 | C25 | O7 | 44.1° | 7.4° |
| C24 | C26 | N6 | C27 | 178.4° | 179.9° |
| C24 | C26 | N6 | H40 | 178.4° | 180.0° |
| C24 | C26 | C27 | O8 | 173.1° | 158.3° |
| C24 | C26 | C27 | C28 | 3.4° | 21.7° |
| C26 | C24 | C34 | N7 | 179.4° | 146.8° |
| C26 | C24 | C34 | C35 | 3.6° | 32.3° |
| C26 | C24 | C25 | N1 | 105.9° | 172.5° |
| C34 | C24 | C25 | O7 | 138.5° | 172.8° |
| C34 | C24 | C26 | N6 | 177.1° | 143.8° |
| C34 | C24 | C26 | C27 | 1.3° | 36.3° |
| C24 | C34 | C35 | C28 | 1.3° | 12.7° |
| C24 | C34 | C35 | O9 | 178.0° | 164.8° |
| C24 | C34 | N7 | C35 | 175.5° | 179.0° |
| C24 | C34 | N7 | C37 | 176.2° | 177.7° |
| C34 | C24 | C25 | N1 | 71.6° | 7.3° |
| H39 | O7 | C25 | N1 | 32.8° | 180.0° |
| N6 | C26 | C27 | O8 | 8.4° | 21.6° |
| N6 | C26 | C27 | C28 | 178.1° | 158.4° |
| C27 | C26 | N6 | H40 | 0.0° | 0.1° |
| C26 | C27 | O8 | C28 | 169.0° | 180.0° |
| C26 | C27 | C28 | C35 | 5.6° | 1.2° |
| C26 | C27 | C28 | C38 | 178.8° | 178.8° |
| O8 | C27 | C28 | C35 | 174.3° | 178.8° |
| O8 | C27 | C28 | C38 | 10.2° | 1.2° |
| C27 | C28 | C35 | C38 | 175.5° | 180.0° |
| C27 | C28 | C35 | O9 | 177.4° | 179.0° |
| C27 | C28 | C35 | C34 | 3.3° | 3.6° |
| C27 | C28 | C38 | H42 | 180.0° | 0.0° |
| C27 | C28 | C38 | H43 | 60.0° | 120.0° |
| C27 | C28 | C38 | H44 | 60.0° | 120.0° |
| C28 | C35 | O9 | C34 | 179.4° | 177.4° |
| C28 | C35 | O9 | C36 | 175.7° | 155.3° |
| C28 | C35 | C34 | N7 | 177.0° | 166.4° |
| C35 | C28 | C38 | H42 | 4.5° | 180.0° |
| C35 | C28 | C38 | H43 | 115.5° | 60.0° |
| C35 | C28 | C38 | H44 | 124.6° | 60.0° |
| C38 | C28 | C35 | O9 | 1.9° | 1.0° |
| C38 | C28 | C35 | C34 | 178.8° | 176.4° |
| C28 | C38 | H42 | H43 | 120.0° | 120.0° |
| C28 | C38 | H42 | H44 | 120.0° | 120.0° |
| C28 | C38 | H43 | H44 | 119.9° | 120.0° |
| C35 | O9 | C36 | C29 | 177.9° | 158.3° |
| O9 | C35 | C34 | N7 | 2.3° | 16.1° |
| C35 | O9 | C36 | C37 | 3.3° | 22.6° |
| O9 | C36 | C29 | C30 | 176.5° | 177.7° |
| O9 | C36 | C29 | C37 | 174.3° | 179.1° |
| O9 | C36 | C29 | C39 | 5.3° | 2.2° |
| O9 | C36 | C37 | C32 | 179.1° | 175.7° |
| O9 | C36 | C37 | N7 | 1.5° | 5.5° |
| C36 | O9 | C35 | C34 | 3.6° | 27.2° |
| C30 | C29 | C36 | C39 | 171.2° | 179.9° |
| C29 | C30 | C31 | N8 | 174.4° | 179.9° |
| C29 | C30 | C31 | C32 | 2.8° | 0.1° |
| C29 | C30 | C31 | H41 | 177.2° | 178.9° |
| C30 | C29 | C36 | C37 | 9.2° | 1.5° |
| C30 | C29 | C39 | H45 | 94.7° | 90.1° |
| C30 | C29 | C39 | H46 | 145.3° | 150.0° |
| C30 | C29 | C39 | H47 | 25.3° | 30.0° |
| C29 | C30 | N8 | H48 | 180.0° | 0.0° |
| C29 | C30 | N8 | H49 | 60.0° | 180.0° |
| C36 | C29 | C30 | C31 | 6.9° | 0.3° |
| C36 | C29 | C30 | N8 | 178.6° | 179.6° |
| C29 | C36 | C37 | C32 | 6.8° | 3.5° |
| C29 | C36 | C37 | N7 | 175.7° | 175.4° |
| C36 | C29 | C39 | H45 | 94.5° | 90.0° |
| C36 | C29 | C39 | H46 | 25.5° | 29.9° |
| C36 | C29 | C39 | H47 | 145.5° | 149.9° |
| C39 | C29 | C30 | C31 | 178.0° | 179.6° |
| C39 | C29 | C30 | N8 | 7.5° | 0.5° |
| C39 | C29 | C36 | C37 | 179.6° | 178.6° |
| C29 | C39 | H45 | H46 | 120.0° | 120.0° |
| C29 | C39 | H45 | H47 | 120.0° | 120.1° |
| C29 | C39 | H46 | H47 | 120.0° | 120.0° |
| C30 | C31 | C32 | H41 | 180.0° | 178.9° |
| C30 | C31 | C32 | C33 | 176.3° | 179.2° |
| C30 | C31 | C32 | C37 | 0.3° | 2.1° |
| C31 | C30 | N8 | H48 | 5.6° | 179.9° |
| C31 | C30 | N8 | H49 | 114.4° | 0.1° |
| N8 | C30 | C31 | C32 | 177.1° | 179.9° |
| N8 | C30 | C31 | H41 | 2.8° | 1.2° |
| C30 | N8 | H48 | H49 | 120.0° | 180.0° |
| C31 | C32 | C33 | C37 | 175.9° | 178.8° |
| C31 | C32 | C33 | O10 | 85.4° | 73.8° |
| C31 | C32 | C37 | N7 | 179.6° | 175.1° |
| C31 | C32 | C37 | C36 | 2.1° | 3.8° |
| C31 | C32 | C33 | N9 | 117.6° | 106.3° |
| H41 | C31 | C32 | C33 | 3.7° | 0.3° |
| H41 | C31 | C32 | C37 | 179.7° | 179.0° |
| C32 | C33 | O10 | N9 | 155.6° | 180.0° |
| C33 | C32 | C37 | N7 | 4.5° | 3.7° |
| C33 | C32 | C37 | C36 | 177.9° | 177.4° |
| C32 | C33 | N9 | C40 | 179.3° | 173.9° |
| C32 | C33 | N9 | H50 | 0.7° | 6.0° |
| C37 | C32 | C33 | O10 | 90.5° | 107.5° |
| C32 | C37 | N7 | C34 | 177.7° | 172.2° |
| C32 | C37 | N7 | C36 | 177.5° | 178.8° |
| C37 | C32 | C33 | N9 | 66.4° | 72.5° |
| O10 | C33 | N9 | C40 | 24.5° | 6.1° |
| O10 | C33 | N9 | H50 | 155.5° | 174.0° |
| C34 | N7 | C37 | C36 | 0.3° | 6.6° |
| C37 | N7 | C34 | C35 | 0.7° | 1.3° |
| H42 | C38 | H43 | H44 | 120.0° | 120.0° |
| H45 | C39 | H46 | H47 | 120.0° | 120.0° |
| C40 | N9 | H50 | C33 | 180.0° | 179.9° |
| N9 | C40 | C41 | C42 | 121.5° | 120.0° |
| N9 | C40 | C41 | H51 | 120.8° | 120.1° |
| N9 | C40 | C42 | H51 | 123.5° | 120.0° |
| N9 | C40 | C41 | O11 | 35.2° | 114.3° |
| N9 | C40 | C42 | O12 | 64.9° | 59.7° |
| N9 | C40 | C42 | C43 | 54.4° | 60.3° |
| N9 | C40 | C42 | H52 | 176.3° | 179.7° |
| N9 | C40 | C41 | N10 | 159.2° | 65.6° |
| H50 | N9 | C40 | C41 | 38.2° | 96.1° |
| H50 | N9 | C40 | C42 | 78.7° | 23.9° |
| H50 | N9 | C40 | H51 | 158.4° | 143.9° |
| C41 | C40 | C42 | H51 | 117.8° | 120.0° |
| C40 | C41 | O11 | N10 | 164.0° | 180.0° |
| C41 | C40 | C42 | O12 | 53.8° | 60.2° |
| C41 | C40 | C42 | C43 | 173.1° | 179.7° |
| C41 | C40 | C42 | H52 | 65.0° | 59.7° |
| C40 | C41 | N10 | C44 | 170.6° | 179.5° |
| C40 | C41 | N10 | H56 | 9.4° | 0.5° |
| C41 | C40 | N9 | C33 | 141.8° | 84.0° |
| C42 | C40 | C41 | O11 | 86.3° | 5.6° |
| C40 | C42 | O12 | C43 | 122.3° | 120.0° |
| C40 | C42 | O12 | H52 | 117.8° | 120.1° |
| C40 | C42 | C43 | H52 | 121.7° | 120.0° |
| C40 | C42 | C43 | H53 | 180.0° | 60.5° |
| C40 | C42 | C43 | H54 | 60.0° | 179.4° |
| C40 | C42 | C43 | H55 | 60.0° | 59.4° |
| C42 | C40 | N9 | C33 | 101.3° | 156.1° |
| C40 | C42 | O12 | C62 | 153.8° | 176.1° |
| C42 | C40 | C41 | N10 | 79.3° | 174.4° |
| H51 | C40 | C41 | O11 | 156.0° | 125.6° |
| H51 | C40 | C42 | O12 | 171.6° | 179.8° |
| H51 | C40 | C42 | C43 | 69.1° | 59.7° |
| H51 | C40 | C42 | H52 | 52.8° | 60.2° |
| H51 | C40 | N9 | C33 | 21.6° | 36.1° |
| H51 | C40 | C41 | N10 | 38.4° | 54.4° |
| O11 | C41 | N10 | C44 | 5.6° | 0.4° |
| O11 | C41 | N10 | H56 | 174.4° | 179.6° |
| O12 | C42 | C43 | H52 | 120.4° | 119.9° |
| O12 | C42 | C43 | H53 | 62.1° | 59.5° |
| O12 | C42 | C43 | H54 | 177.9° | 60.5° |
| O12 | C42 | C43 | H55 | 57.9° | 179.5° |
| C42 | O12 | C62 | C58 | 176.0° | 180.0° |
| C42 | O12 | C62 | O16 | 0.2° | 0.2° |
| C42 | C43 | H53 | H54 | 120.0° | 120.1° |
| C42 | C43 | H53 | H55 | 120.0° | 120.0° |
| C42 | C43 | H54 | H55 | 120.0° | 120.0° |
| C43 | C42 | O12 | C62 | 83.9° | 63.9° |
| H52 | C42 | C43 | H53 | 58.3° | 179.4° |
| H52 | C42 | C43 | H54 | 61.7° | 59.4° |
| H52 | C42 | C43 | H55 | 178.3° | 60.6° |
| H52 | C42 | O12 | C62 | 36.0° | 56.0° |
| H53 | C43 | H54 | H55 | 120.0° | 119.9° |
| C44 | N10 | H56 | C41 | 180.0° | 180.0° |
| N10 | C44 | C45 | C48 | 134.6° | 118.8° |
| N10 | C44 | C45 | H57 | 112.4° | 120.6° |
| N10 | C44 | C48 | H57 | 114.2° | 119.7° |
| N10 | C44 | C45 | C46 | 136.4° | 64.7° |
| N10 | C44 | C45 | C47 | 4.3° | 55.3° |
| N10 | C44 | C45 | H58 | 110.5° | 175.3° |
| N10 | C44 | C48 | O13 | 73.0° | 13.5° |
| N10 | C44 | C48 | N11 | 114.0° | 166.4° |
| H56 | N10 | C44 | C45 | 35.0° | 14.7° |
| H56 | N10 | C44 | C48 | 98.9° | 134.4° |
| H56 | N10 | C44 | H57 | 147.1° | 105.9° |
| C45 | C44 | C48 | H57 | 112.8° | 120.6° |
| C44 | C45 | C46 | C47 | 133.6° | 120.0° |
| C44 | C45 | C46 | H58 | 113.1° | 120.0° |
| C44 | C45 | C47 | H58 | 114.7° | 120.0° |
| C44 | C45 | C46 | H59 | 180.0° | 64.6° |
| C44 | C45 | C46 | H60 | 60.0° | 175.4° |
| C44 | C45 | C46 | H61 | 60.0° | 55.4° |
| C44 | C45 | C47 | H62 | 180.0° | 64.5° |
| C44 | C45 | C47 | H63 | 60.0° | 175.5° |
| C44 | C45 | C47 | H64 | 60.0° | 55.5° |
| C45 | C44 | C48 | O13 | 60.0° | 133.3° |
| C45 | C44 | N10 | C41 | 145.0° | 165.3° |
| C45 | C44 | C48 | N11 | 113.0° | 46.7° |
| C48 | C44 | C45 | C46 | 1.8° | 54.1° |
| C48 | C44 | C45 | C47 | 130.3° | 174.1° |
| C48 | C44 | C45 | H58 | 114.9° | 65.9° |
| C44 | C48 | O13 | N11 | 172.6° | 179.9° |
| C44 | C48 | N11 | C49 | 13.6° | 179.5° |
| C44 | C48 | N11 | C53 | 151.7° | 0.6° |
| C48 | C44 | N10 | C41 | 81.1° | 45.5° |
| H57 | C44 | C45 | C46 | 111.2° | 174.7° |
| H57 | C44 | C45 | C47 | 116.7° | 65.3° |
| H57 | C44 | C45 | H58 | 1.9° | 54.7° |
| H57 | C44 | C48 | O13 | 172.7° | 106.2° |
| H57 | C44 | N10 | C41 | 32.9° | 74.1° |
| H57 | C44 | C48 | N11 | 0.2° | 73.9° |
| C46 | C45 | C47 | H58 | 113.3° | 120.0° |
| C45 | C46 | H59 | H60 | 120.0° | 120.0° |
| C45 | C46 | H59 | H61 | 120.0° | 119.9° |
| C45 | C46 | H60 | H61 | 120.0° | 120.0° |
| C46 | C45 | C47 | H62 | 48.0° | 175.5° |
| C46 | C45 | C47 | H63 | 72.0° | 55.5° |
| C46 | C45 | C47 | H64 | 168.0° | 64.5° |
| C47 | C45 | C46 | H59 | 46.5° | 55.4° |
| C47 | C45 | C46 | H60 | 166.5° | 64.6° |
| C47 | C45 | C46 | H61 | 73.6° | 175.3° |
| C45 | C47 | H62 | H63 | 120.0° | 120.0° |
| C45 | C47 | H62 | H64 | 120.0° | 120.0° |
| C45 | C47 | H63 | H64 | 120.0° | 120.0° |
| H58 | C45 | C46 | H59 | 66.9° | 175.4° |
| H58 | C45 | C46 | H60 | 53.1° | 55.4° |
| H58 | C45 | C46 | H61 | 173.1° | 64.6° |
| H58 | C45 | C47 | H62 | 65.3° | 55.5° |
| H58 | C45 | C47 | H63 | 174.7° | 64.5° |
| H58 | C45 | C47 | H64 | 54.7° | 175.5° |
| H59 | C46 | H60 | H61 | 120.0° | 120.1° |
| H62 | C47 | H63 | H64 | 120.0° | 120.0° |
| O13 | C48 | N11 | C49 | 173.4° | 0.4° |
| O13 | C48 | N11 | C53 | 21.3° | 179.5° |
| C49 | N11 | C53 | C48 | 167.1° | 179.9° |
| N11 | C49 | C50 | C51 | 109.9° | 118.3° |
| N11 | C49 | C50 | H65 | 128.1° | 120.7° |
| N11 | C49 | C51 | H65 | 119.8° | 119.7° |
| N11 | C49 | C50 | O14 | 36.7° | 59.6° |
| N11 | C49 | C51 | C52 | 31.9° | 9.3° |
| N11 | C49 | C51 | H66 | 151.4° | 109.9° |
| N11 | C49 | C51 | H67 | 87.6° | 128.6° |
| C49 | N11 | C53 | C52 | 20.9° | 18.8° |
| C49 | N11 | C53 | H70 | 140.3° | 100.7° |
| C49 | N11 | C53 | H71 | 98.5° | 138.4° |
| N11 | C49 | C50 | N12 | 165.0° | 120.4° |
| C53 | N11 | C49 | C50 | 81.3° | 137.2° |
| C53 | N11 | C49 | C51 | 32.4° | 17.6° |
| C53 | N11 | C49 | H65 | 151.2° | 102.1° |
| N11 | C53 | C52 | C51 | 0.8° | 12.4° |
| N11 | C53 | C52 | H70 | 119.4° | 119.5° |
| N11 | C53 | C52 | H71 | 119.4° | 119.6° |
| N11 | C53 | C52 | H68 | 118.7° | 106.7° |
| N11 | C53 | C52 | H69 | 120.3° | 131.6° |
| N11 | C53 | H70 | H71 | 121.8° | 120.9° |
| C50 | C49 | C51 | H65 | 122.1° | 120.9° |
| C49 | C50 | O14 | N12 | 156.9° | 180.0° |
| C50 | C49 | C51 | C52 | 86.1° | 128.8° |
| C50 | C49 | C51 | H66 | 33.4° | 9.5° |
| C50 | C49 | C51 | H67 | 154.4° | 112.0° |
| C49 | C50 | N12 | C54 | 14.4° | 178.8° |
| C49 | C50 | N12 | C56 | 158.4° | 1.3° |
| C50 | C49 | N11 | C48 | 85.8° | 42.7° |
| C51 | C49 | C50 | O14 | 73.2° | 58.7° |
| C49 | C51 | C52 | H66 | 119.5° | 119.2° |
| C49 | C51 | C52 | H67 | 119.5° | 119.2° |
| C49 | C51 | H66 | H67 | 121.5° | 121.6° |
| C49 | C51 | C52 | C53 | 20.5° | 1.9° |
| C49 | C51 | C52 | H68 | 99.0° | 117.3° |
| C49 | C51 | C52 | H69 | 139.9° | 121.0° |
| C51 | C49 | N11 | C48 | 160.4° | 162.3° |
| C51 | C49 | C50 | N12 | 85.1° | 121.3° |
| H65 | C49 | C50 | O14 | 164.8° | 179.7° |
| H65 | C49 | C51 | C52 | 151.7° | 110.3° |
| H65 | C49 | C51 | H66 | 88.8° | 130.5° |
| H65 | C49 | C51 | H67 | 32.2° | 8.9° |
| H65 | C49 | N11 | C48 | 41.7° | 78.0° |
| H65 | C49 | C50 | N12 | 36.9° | 0.3° |
| O14 | C50 | N12 | C54 | 171.8° | 1.3° |
| O14 | C50 | N12 | C56 | 1.0° | 178.7° |
| C52 | C51 | H66 | H67 | 121.5° | 121.7° |
| C51 | C52 | C53 | H68 | 119.5° | 119.1° |
| C51 | C52 | C53 | H69 | 119.5° | 119.2° |
| C51 | C52 | H68 | H69 | 121.5° | 121.7° |
| C51 | C52 | C53 | H70 | 118.6° | 107.1° |
| C51 | C52 | C53 | H71 | 120.2° | 132.0° |
| H66 | C51 | C52 | C53 | 140.0° | 121.0° |
| H66 | C51 | C52 | H68 | 20.5° | 1.9° |
| H66 | C51 | C52 | H69 | 100.6° | 119.8° |
| H67 | C51 | C52 | C53 | 99.0° | 117.3° |
| H67 | C51 | C52 | H68 | 141.5° | 123.6° |
| H67 | C51 | C52 | H69 | 20.5° | 1.8° |
| C53 | C52 | H68 | H69 | 121.5° | 121.7° |
| C52 | C53 | H70 | H71 | 121.8° | 120.9° |
| C52 | C53 | N11 | C48 | 172.1° | 161.1° |
| H68 | C52 | C53 | H70 | 121.9° | 133.8° |
| H68 | C52 | C53 | H71 | 0.7° | 12.9° |
| H69 | C52 | C53 | H70 | 0.9° | 12.1° |
| H69 | C52 | C53 | H71 | 120.3° | 108.8° |
| H70 | C53 | N11 | C48 | 52.7° | 79.4° |
| H71 | C53 | N11 | C48 | 68.5° | 41.5° |
| C54 | N12 | C56 | C50 | 173.3° | 180.0° |
| N12 | C54 | C55 | H72 | 120.1° | 119.7° |
| N12 | C54 | C55 | H73 | 120.1° | 119.7° |
| N12 | C54 | H72 | H73 | 119.7° | 120.6° |
| N12 | C54 | C55 | O15 | 8.0° | 45.3° |
| C54 | N12 | C56 | H74 | 180.0° | 125.1° |
| C54 | N12 | C56 | H75 | 60.0° | 5.1° |
| C54 | N12 | C56 | H76 | 60.0° | 114.9° |
| N12 | C54 | C55 | N13 | 164.0° | 134.8° |
| C56 | N12 | C54 | C55 | 96.5° | 61.1° |
| C56 | N12 | C54 | H72 | 143.4° | 58.6° |
| C56 | N12 | C54 | H73 | 23.6° | 179.3° |
| N12 | C56 | H74 | H75 | 120.0° | 120.0° |
| N12 | C56 | H74 | H76 | 120.0° | 120.0° |
| N12 | C56 | H75 | H76 | 120.0° | 120.0° |
| C55 | C54 | H72 | H73 | 119.7° | 120.5° |
| C54 | C55 | O15 | N13 | 171.4° | 179.9° |
| C54 | C55 | N13 | C57 | 0.7° | 2.4° |
| C54 | C55 | N13 | C58 | 173.0° | 177.6° |
| C55 | C54 | N12 | C50 | 90.5° | 118.9° |
| H72 | C54 | C55 | O15 | 112.1° | 74.4° |
| H72 | C54 | N12 | C50 | 29.6° | 121.3° |
| H72 | C54 | C55 | N13 | 75.8° | 105.5° |
| H73 | C54 | C55 | O15 | 128.1° | 165.0° |
| H73 | C54 | N12 | C50 | 149.4° | 0.7° |
| H73 | C54 | C55 | N13 | 43.9° | 15.1° |
| O15 | C55 | N13 | C57 | 171.0° | 177.6° |
| O15 | C55 | N13 | C58 | 1.3° | 2.5° |
| H74 | C56 | H75 | H76 | 120.0° | 120.0° |
| H74 | C56 | N12 | C50 | 6.7° | 54.8° |
| H75 | C56 | N12 | C50 | 126.7° | 174.9° |
| H76 | C56 | N12 | C50 | 113.3° | 65.2° |
| C57 | N13 | C58 | C55 | 172.9° | 180.0° |
| N13 | C57 | H77 | H78 | 120.0° | 120.0° |
| N13 | C57 | H77 | H79 | 120.0° | 120.0° |
| N13 | C57 | H78 | H79 | 120.0° | 120.0° |
| C57 | N13 | C58 | C59 | 74.2° | 53.5° |
| C57 | N13 | C58 | C62 | 140.5° | 66.3° |
| C57 | N13 | C58 | H80 | 32.9° | 173.8° |
| C58 | N13 | C57 | H77 | 180.0° | 115.2° |
| C58 | N13 | C57 | H78 | 60.0° | 4.8° |
| C58 | N13 | C57 | H79 | 60.0° | 124.8° |
| N13 | C58 | C59 | C62 | 144.2° | 119.4° |
| N13 | C58 | C59 | H80 | 107.3° | 120.3° |
| N13 | C58 | C62 | H80 | 107.6° | 119.8° |
| N13 | C58 | C59 | C60 | 43.5° | 180.0° |
| N13 | C58 | C59 | C61 | 170.5° | 60.0° |
| N13 | C58 | C59 | H81 | 72.6° | 59.9° |
| N13 | C58 | C62 | O16 | 131.4° | 107.1° |
| N13 | C58 | C62 | O12 | 53.1° | 72.7° |
| H77 | C57 | H78 | H79 | 120.0° | 120.0° |
| H77 | C57 | N13 | C55 | 7.4° | 64.7° |
| H78 | C57 | N13 | C55 | 112.6° | 175.3° |
| H79 | C57 | N13 | C55 | 127.4° | 55.3° |
| C59 | C58 | C62 | H80 | 108.4° | 120.3° |
| C58 | C59 | C60 | C61 | 128.8° | 120.0° |
| C58 | C59 | C60 | H81 | 116.0° | 120.1° |
| C58 | C59 | C61 | H81 | 116.9° | 120.0° |
| C58 | C59 | C60 | H82 | 180.0° | 59.9° |
| C58 | C59 | C60 | H83 | 60.0° | 180.0° |
| C58 | C59 | C60 | H84 | 60.0° | 60.0° |
| C58 | C59 | C61 | H85 | 180.0° | 60.0° |
| C58 | C59 | C61 | H86 | 60.0° | 180.0° |
| C58 | C59 | C61 | H87 | 60.0° | 60.0° |
| C59 | C58 | C62 | O16 | 12.6° | 12.7° |
| C59 | C58 | C62 | O12 | 162.9° | 167.4° |
| C59 | C58 | N13 | C55 | 98.7° | 126.5° |
| C62 | C58 | C59 | C60 | 100.7° | 60.6° |
| C62 | C58 | C59 | C61 | 26.4° | 179.4° |
| C62 | C58 | C59 | H81 | 143.2° | 59.4° |
| C58 | C62 | O16 | O12 | 175.1° | 179.9° |
| C62 | C58 | N13 | C55 | 46.7° | 113.6° |
| H80 | C58 | C59 | C60 | 150.8° | 59.7° |
| H80 | C58 | C59 | C61 | 82.1° | 60.3° |
| H80 | C58 | C59 | H81 | 34.8° | 179.8° |
| H80 | C58 | C62 | O16 | 120.9° | 133.1° |
| H80 | C58 | C62 | O12 | 54.6° | 47.1° |
| H80 | C58 | N13 | C55 | 154.2° | 6.2° |
| C60 | C59 | C61 | H81 | 115.3° | 120.0° |
| C59 | C60 | H82 | H83 | 120.0° | 120.0° |
| C59 | C60 | H82 | H84 | 120.0° | 119.9° |
| C59 | C60 | H83 | H84 | 120.0° | 120.0° |
| C60 | C59 | C61 | H85 | 52.1° | 180.0° |
| C60 | C59 | C61 | H86 | 67.9° | 60.0° |
| C60 | C59 | C61 | H87 | 172.1° | 60.0° |
| C61 | C59 | C60 | H82 | 51.2° | 60.0° |
| C61 | C59 | C60 | H83 | 171.2° | 60.0° |
| C61 | C59 | C60 | H84 | 68.8° | 180.0° |
| C59 | C61 | H85 | H86 | 120.0° | 120.0° |
| C59 | C61 | H85 | H87 | 120.0° | 120.0° |
| C59 | C61 | H86 | H87 | 120.0° | 120.0° |
| H81 | C59 | C60 | H82 | 64.0° | 180.0° |
| H81 | C59 | C60 | H83 | 56.0° | 59.9° |
| H81 | C59 | C60 | H84 | 176.0° | 60.1° |
| H81 | C59 | C61 | H85 | 63.2° | 60.0° |
| H81 | C59 | C61 | H86 | 176.8° | 60.0° |
| H81 | C59 | C61 | H87 | 56.8° | 180.0° |
| H82 | C60 | H83 | H84 | 120.0° | 120.0° |
| H85 | C61 | H86 | H87 | 120.0° | 120.0° |
