YV2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C56 | O7 | sing | 1.43Å | 1.44Å | |
| C55 | C54 | sing | 1.53Å | 1.53Å | |
| O7 | C54 | sing | 1.43Å | 1.43Å | |
| C54 | C50 | sing | 1.51Å | 1.49Å | |
| N8 | C51 | doub | 1.32Å | 1.35Å | Aromatic |
| N8 | C50 | sing | 1.32Å | 1.37Å | Aromatic |
| C51 | C52 | sing | 1.38Å | 1.39Å | Aromatic |
| C50 | C49 | doub | 1.39Å | 1.40Å | Aromatic |
| C52 | C53 | doub | 1.38Å | 1.41Å | Aromatic |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C49 | C53 | sing | 1.40Å | 1.37Å | Aromatic |
| C49 | C48 | sing | 1.48Å | 1.48Å | |
| C45 | C43 | sing | 1.53Å | 1.52Å | |
| N1 | C48 | sing | 1.38Å | 1.37Å | Aromatic |
| N1 | C3 | sing | 1.38Å | 1.34Å | Aromatic |
| C48 | C47 | doub | 1.36Å | 1.45Å | Aromatic |
| C43 | C42 | sing | 1.53Å | 1.52Å | |
| C43 | C46 | sing | 1.53Å | 1.53Å | |
| C43 | C44 | sing | 1.53Å | 1.55Å | |
| C3 | C8 | doub | 1.39Å | 1.42Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.41Å | Aromatic |
| C47 | C46 | sing | 1.51Å | 1.52Å | |
| C47 | C4 | sing | 1.46Å | 1.41Å | Aromatic |
| C42 | O6 | sing | 1.45Å | 1.42Å | |
| C8 | C7 | sing | 1.37Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| O5 | C41 | doub | 1.21Å | 1.21Å | |
| O6 | C41 | sing | 1.34Å | 1.40Å | |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C9 | sing | 1.48Å | 1.49Å | |
| C41 | C40 | sing | 1.51Å | 1.47Å | |
| C10 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C57 | sing | 1.39Å | 1.40Å | Aromatic |
| C40 | C39 | sing | 1.52Å | 1.54Å | |
| C40 | N7 | sing | 1.47Å | 1.46Å | |
| C39 | C38 | sing | 1.52Å | 1.52Å | |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C57 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| N7 | N6 | sing | 1.37Å | 1.36Å | |
| C12 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| N6 | C37 | sing | 1.47Å | 1.48Å | |
| N6 | C36 | sing | 1.35Å | 1.33Å | |
| O1 | C16 | doub | 1.21Å | 1.23Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C15 | C36 | sing | 1.51Å | 1.51Å | |
| C15 | N2 | sing | 1.47Å | 1.44Å | |
| C24 | C25 | sing | 1.55Å | 1.51Å | |
| C24 | C23 | sing | 1.54Å | 1.51Å | |
| C36 | O4 | doub | 1.21Å | 1.20Å | |
| C16 | N2 | sing | 1.35Å | 1.36Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C21 | C22 | sing | 1.55Å | 1.55Å | |
| C21 | N3 | sing | 1.47Å | 1.47Å | |
| C25 | N4 | sing | 1.48Å | 1.45Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C23 | C35 | sing | 1.50Å | 1.52Å | |
| C23 | C26 | sing | 1.53Å | 1.55Å | |
| N3 | C17 | sing | 1.46Å | 1.49Å | |
| N3 | C35 | sing | 1.35Å | 1.33Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C20 | sing | 1.53Å | 1.52Å | |
| C35 | O3 | doub | 1.21Å | 1.23Å | |
| N4 | C26 | sing | 1.47Å | 1.47Å | |
| N4 | C27 | sing | 1.35Å | 1.32Å | |
| O2 | C27 | doub | 1.22Å | 1.23Å | |
| C27 | C28 | sing | 1.47Å | 1.47Å | |
| C28 | C29 | doub | 1.33Å | 1.34Å | |
| C29 | C30 | sing | 1.51Å | 1.52Å | |
| C33 | N5 | sing | 1.47Å | 1.48Å | |
| N5 | C30 | sing | 1.47Å | 1.49Å | |
| N5 | C34 | sing | 1.47Å | 1.47Å | |
| C30 | C32 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.08Å | 1.08Å | |
| C29 | H32 | sing | 1.08Å | 1.08Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| C32 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| C33 | H40 | sing | 1.09Å | 1.10Å | |
| C33 | H41 | sing | 1.09Å | 1.10Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| C34 | H43 | sing | 1.09Å | 1.10Å | |
| C34 | H44 | sing | 1.09Å | 1.10Å | |
| C34 | H45 | sing | 1.09Å | 1.10Å | |
| C37 | H46 | sing | 1.09Å | 1.10Å | |
| C37 | H47 | sing | 1.09Å | 1.10Å | |
| C38 | H48 | sing | 1.09Å | 1.10Å | |
| C38 | H49 | sing | 1.09Å | 1.10Å | |
| C39 | H50 | sing | 1.09Å | 1.10Å | |
| C39 | H51 | sing | 1.09Å | 1.10Å | |
| C40 | H52 | sing | 1.09Å | 1.10Å | |
| C42 | H53 | sing | 1.09Å | 1.10Å | |
| C42 | H54 | sing | 1.09Å | 1.10Å | |
| C44 | H55 | sing | 1.09Å | 1.10Å | |
| C44 | H56 | sing | 1.09Å | 1.10Å | |
| C44 | H57 | sing | 1.09Å | 1.10Å | |
| C45 | H58 | sing | 1.09Å | 1.10Å | |
| C45 | H59 | sing | 1.09Å | 1.10Å | |
| C45 | H60 | sing | 1.09Å | 1.10Å | |
| C46 | H61 | sing | 1.09Å | 1.10Å | |
| C46 | H62 | sing | 1.09Å | 1.10Å | |
| C5 | H63 | sing | 1.08Å | 1.08Å | |
| C51 | H64 | sing | 1.08Å | 1.08Å | |
| C52 | H65 | sing | 1.08Å | 1.08Å | |
| C53 | H66 | sing | 1.08Å | 1.08Å | |
| C54 | H67 | sing | 1.09Å | 1.10Å | |
| C55 | H68 | sing | 1.09Å | 1.10Å | |
| C55 | H69 | sing | 1.09Å | 1.10Å | |
| C55 | H70 | sing | 1.09Å | 1.10Å | |
| C56 | H71 | sing | 1.09Å | 1.10Å | |
| C56 | H72 | sing | 1.09Å | 1.10Å | |
| C56 | H73 | sing | 1.09Å | 1.10Å | |
| C57 | H74 | sing | 1.08Å | 1.08Å | |
| C7 | H75 | sing | 1.08Å | 1.08Å | |
| C8 | H76 | sing | 1.08Å | 1.08Å | |
| N2 | H77 | sing | 0.97Å | 1.00Å | |
| N7 | H79 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C56 | O7 | C54 | 111.9° | 114.0° |
| O7 | C56 | H71 | 109.5° | 109.4° |
| O7 | C56 | H72 | 109.5° | 109.4° |
| O7 | C56 | H73 | 109.4° | 109.5° |
| C55 | C54 | O7 | 109.6° | 109.4° |
| C55 | C54 | C50 | 111.7° | 109.5° |
| C55 | C54 | H67 | 109.1° | 109.4° |
| C54 | C55 | H68 | 109.5° | 109.5° |
| C54 | C55 | H69 | 109.4° | 109.5° |
| C54 | C55 | H70 | 109.4° | 109.4° |
| O7 | C54 | C50 | 106.4° | 109.5° |
| O7 | C54 | H67 | 110.4° | 109.5° |
| C54 | C50 | N8 | 116.0° | 119.7° |
| C54 | C50 | C49 | 123.3° | 119.7° |
| C50 | C54 | H67 | 109.6° | 109.5° |
| C51 | N8 | C50 | 120.2° | 121.9° |
| N8 | C51 | C52 | 120.7° | 121.0° |
| N8 | C51 | H64 | 119.7° | 119.4° |
| N8 | C50 | C49 | 120.7° | 120.6° |
| C51 | C52 | C53 | 119.8° | 119.4° |
| C52 | C51 | H64 | 119.7° | 119.5° |
| C51 | C52 | H65 | 120.1° | 120.3° |
| C50 | C49 | C53 | 119.7° | 118.9° |
| C50 | C49 | C48 | 123.3° | 120.6° |
| C52 | C53 | C49 | 118.8° | 118.3° |
| C53 | C52 | H65 | 120.1° | 120.3° |
| C52 | C53 | H66 | 120.6° | 120.8° |
| N1 | C2 | C1 | 104.3° | 109.4° |
| C2 | N1 | C48 | 126.8° | 125.1° |
| C2 | N1 | C3 | 123.3° | 125.1° |
| N1 | C2 | H15 | 110.7° | 109.5° |
| N1 | C2 | H16 | 110.7° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.4° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C1 | C2 | H15 | 110.7° | 109.5° |
| C1 | C2 | H16 | 110.7° | 109.5° |
| C53 | C49 | C48 | 117.0° | 120.5° |
| C49 | C53 | H66 | 120.6° | 120.9° |
| C49 | C48 | N1 | 125.5° | 125.2° |
| C49 | C48 | C47 | 126.6° | 125.2° |
| C45 | C43 | C42 | 108.2° | 109.5° |
| C45 | C43 | C46 | 110.5° | 109.5° |
| C45 | C43 | C44 | 110.2° | 109.5° |
| C43 | C45 | H58 | 109.5° | 109.5° |
| C43 | C45 | H59 | 109.5° | 109.5° |
| C43 | C45 | H60 | 109.5° | 109.5° |
| C48 | N1 | C3 | 109.7° | 109.8° |
| N1 | C48 | C47 | 107.9° | 109.6° |
| N1 | C3 | C8 | 132.4° | 133.0° |
| N1 | C3 | C4 | 109.6° | 107.3° |
| C48 | C47 | C46 | 126.1° | 126.5° |
| C48 | C47 | C4 | 105.5° | 106.9° |
| C42 | C43 | C46 | 109.9° | 109.3° |
| C42 | C43 | C44 | 111.2° | 109.5° |
| C43 | C42 | O6 | 107.2° | 109.3° |
| C43 | C42 | H53 | 110.0° | 109.5° |
| C43 | C42 | H54 | 110.0° | 109.5° |
| C46 | C43 | C44 | 106.9° | 109.5° |
| C43 | C46 | C47 | 120.5° | 109.9° |
| C43 | C46 | H61 | 106.6° | 109.4° |
| C43 | C46 | H62 | 106.6° | 109.4° |
| C43 | C44 | H55 | 109.5° | 109.5° |
| C43 | C44 | H56 | 109.5° | 109.5° |
| C43 | C44 | H57 | 109.5° | 109.5° |
| C8 | C3 | C4 | 118.0° | 119.6° |
| C3 | C8 | C7 | 121.3° | 120.2° |
| C3 | C8 | H76 | 119.3° | 119.9° |
| C3 | C4 | C47 | 107.3° | 106.3° |
| C3 | C4 | C5 | 120.6° | 119.9° |
| C46 | C47 | C4 | 128.4° | 126.6° |
| C47 | C46 | H61 | 106.6° | 109.4° |
| C47 | C46 | H62 | 106.6° | 109.4° |
| C47 | C4 | C5 | 132.2° | 133.9° |
| C42 | O6 | C41 | 120.9° | 117.6° |
| O6 | C42 | H53 | 110.0° | 109.5° |
| O6 | C42 | H54 | 110.1° | 109.5° |
| C8 | C7 | C6 | 119.3° | 120.7° |
| C8 | C7 | H75 | 120.4° | 119.6° |
| C7 | C8 | H76 | 119.4° | 119.9° |
| C4 | C5 | C6 | 121.2° | 119.5° |
| C4 | C5 | H63 | 119.4° | 120.2° |
| C7 | C6 | C5 | 119.5° | 120.1° |
| C7 | C6 | C9 | 119.6° | 119.8° |
| C6 | C7 | H75 | 120.3° | 119.6° |
| O5 | C41 | O6 | 117.7° | 120.4° |
| O5 | C41 | C40 | 125.9° | 120.5° |
| O6 | C41 | C40 | 116.3° | 119.1° |
| C5 | C6 | C9 | 120.8° | 120.2° |
| C6 | C5 | H63 | 119.4° | 120.3° |
| C6 | C9 | C10 | 118.1° | 120.0° |
| C6 | C9 | C57 | 123.6° | 120.3° |
| C41 | C40 | C39 | 107.0° | 110.3° |
| C41 | C40 | N7 | 109.3° | 109.0° |
| C41 | C40 | H52 | 109.3° | 109.1° |
| C9 | C10 | C11 | 121.0° | 119.9° |
| C10 | C9 | C57 | 118.2° | 119.7° |
| C9 | C10 | H4 | 119.5° | 120.0° |
| C10 | C11 | C12 | 120.2° | 120.1° |
| C11 | C10 | H4 | 119.5° | 120.1° |
| C10 | C11 | H5 | 119.9° | 119.9° |
| C9 | C57 | C13 | 121.8° | 119.9° |
| C9 | C57 | H74 | 119.1° | 120.1° |
| C39 | C40 | N7 | 113.2° | 109.7° |
| C40 | C39 | C38 | 109.2° | 111.8° |
| C40 | C39 | H50 | 109.5° | 109.0° |
| C40 | C39 | H51 | 109.5° | 109.0° |
| C39 | C40 | H52 | 108.4° | 109.7° |
| C40 | N7 | N6 | 110.4° | 110.3° |
| N7 | C40 | H52 | 109.5° | 109.0° |
| C40 | N7 | H79 | 109.3° | 111.0° |
| C39 | C38 | C37 | 110.0° | 111.2° |
| C39 | C38 | H48 | 109.3° | 109.1° |
| C39 | C38 | H49 | 109.3° | 109.1° |
| C38 | C39 | H50 | 109.5° | 109.0° |
| C38 | C39 | H51 | 109.5° | 109.0° |
| C11 | C12 | C13 | 119.0° | 120.3° |
| C12 | C11 | H5 | 119.9° | 119.9° |
| C11 | C12 | H6 | 120.5° | 119.9° |
| C57 | C13 | C12 | 119.7° | 120.1° |
| C57 | C13 | C14 | 120.4° | 120.1° |
| C13 | C57 | H74 | 119.1° | 120.0° |
| N7 | N6 | C37 | 120.4° | 119.3° |
| N7 | N6 | C36 | 118.9° | 119.7° |
| N6 | N7 | H79 | 109.3° | 111.0° |
| C12 | C13 | C14 | 119.9° | 119.8° |
| C13 | C12 | H6 | 120.5° | 119.9° |
| C13 | C14 | C15 | 112.1° | 109.5° |
| C13 | C14 | H7 | 108.8° | 109.5° |
| C13 | C14 | H8 | 108.8° | 109.5° |
| C38 | C37 | N6 | 108.6° | 108.7° |
| C38 | C37 | H46 | 109.7° | 109.6° |
| C38 | C37 | H47 | 109.7° | 109.7° |
| C37 | C38 | H48 | 109.4° | 109.2° |
| C37 | C38 | H49 | 109.4° | 109.1° |
| C37 | N6 | C36 | 120.7° | 121.0° |
| N6 | C37 | H46 | 109.7° | 109.6° |
| N6 | C37 | H47 | 109.7° | 109.6° |
| N6 | C36 | C15 | 116.0° | 119.3° |
| N6 | C36 | O4 | 124.0° | 120.3° |
| O1 | C16 | N2 | 123.5° | 120.0° |
| O1 | C16 | C17 | 120.7° | 120.0° |
| C14 | C15 | C36 | 112.4° | 109.6° |
| C14 | C15 | N2 | 108.4° | 109.4° |
| C15 | C14 | H7 | 108.8° | 109.5° |
| C15 | C14 | H8 | 108.8° | 109.5° |
| C14 | C15 | H9 | 107.8° | 109.5° |
| C36 | C15 | N2 | 110.7° | 109.4° |
| C15 | C36 | O4 | 119.9° | 120.3° |
| C36 | C15 | H9 | 108.3° | 109.5° |
| C15 | N2 | C16 | 123.5° | 120.0° |
| N2 | C15 | H9 | 109.2° | 109.4° |
| C15 | N2 | H77 | 118.3° | 120.0° |
| C25 | C24 | C23 | 105.5° | 101.4° |
| C24 | C25 | N4 | 103.8° | 105.0° |
| C25 | C24 | H24 | 110.5° | 111.1° |
| C25 | C24 | H25 | 110.4° | 111.1° |
| C24 | C25 | H26 | 110.9° | 110.3° |
| C24 | C25 | H27 | 110.9° | 110.4° |
| C24 | C23 | C22 | 113.7° | 111.2° |
| C24 | C23 | C35 | 108.5° | 111.8° |
| C24 | C23 | C26 | 103.2° | 104.4° |
| C23 | C24 | H24 | 110.4° | 111.0° |
| C23 | C24 | H25 | 110.5° | 111.0° |
| N2 | C16 | C17 | 115.8° | 120.0° |
| C16 | N2 | H77 | 118.2° | 120.0° |
| C16 | C17 | N3 | 108.6° | 109.5° |
| C16 | C17 | C18 | 113.0° | 109.4° |
| C16 | C17 | H10 | 107.9° | 109.5° |
| C22 | C21 | N3 | 99.0° | 105.5° |
| C21 | C22 | C23 | 105.6° | 101.5° |
| C22 | C21 | H20 | 112.0° | 110.2° |
| C22 | C21 | H21 | 112.0° | 110.3° |
| C21 | C22 | H22 | 110.4° | 111.0° |
| C21 | C22 | H23 | 110.4° | 111.1° |
| C21 | N3 | C17 | 121.4° | 124.3° |
| C21 | N3 | C35 | 117.4° | 111.2° |
| N3 | C21 | H20 | 112.0° | 110.2° |
| N3 | C21 | H21 | 112.0° | 110.2° |
| C25 | N4 | C26 | 113.7° | 108.6° |
| C25 | N4 | C27 | 118.3° | 125.7° |
| N4 | C25 | H26 | 110.9° | 110.3° |
| N4 | C25 | H27 | 110.9° | 110.3° |
| C22 | C23 | C35 | 102.4° | 105.6° |
| C22 | C23 | C26 | 117.6° | 111.6° |
| C23 | C22 | H22 | 110.4° | 111.0° |
| C23 | C22 | H23 | 110.4° | 111.0° |
| C35 | C23 | C26 | 111.4° | 112.4° |
| C23 | C35 | N3 | 107.1° | 109.6° |
| C23 | C35 | O3 | 127.2° | 125.2° |
| C23 | C26 | N4 | 101.3° | 106.9° |
| C23 | C26 | H28 | 111.5° | 109.9° |
| C23 | C26 | H29 | 111.5° | 110.0° |
| C17 | N3 | C35 | 121.2° | 124.4° |
| N3 | C17 | C18 | 111.4° | 109.4° |
| N3 | C17 | H10 | 108.2° | 109.5° |
| N3 | C35 | O3 | 125.7° | 125.2° |
| C17 | C18 | C19 | 108.5° | 109.5° |
| C17 | C18 | C20 | 110.9° | 109.4° |
| C18 | C17 | H10 | 107.6° | 109.5° |
| C17 | C18 | H11 | 110.6° | 109.5° |
| C19 | C18 | C20 | 105.2° | 109.5° |
| C19 | C18 | H11 | 110.7° | 109.4° |
| C18 | C19 | H12 | 109.5° | 109.5° |
| C18 | C19 | H13 | 109.4° | 109.5° |
| C18 | C19 | H14 | 109.5° | 109.5° |
| C20 | C18 | H11 | 110.8° | 109.5° |
| C18 | C20 | H17 | 109.5° | 109.5° |
| C18 | C20 | H18 | 109.5° | 109.5° |
| C18 | C20 | H19 | 109.5° | 109.5° |
| C26 | N4 | C27 | 128.0° | 125.7° |
| N4 | C26 | H28 | 111.5° | 110.0° |
| N4 | C26 | H29 | 111.5° | 110.0° |
| N4 | C27 | O2 | 120.2° | 120.0° |
| N4 | C27 | C28 | 119.0° | 120.0° |
| O2 | C27 | C28 | 120.8° | 120.0° |
| C27 | C28 | C29 | 120.5° | 120.0° |
| C27 | C28 | H30 | 119.8° | 120.0° |
| C28 | C29 | C30 | 114.2° | 120.0° |
| C29 | C28 | H30 | 119.8° | 120.0° |
| C28 | C29 | H32 | 122.9° | 120.0° |
| C29 | C30 | N5 | 112.4° | 109.4° |
| C29 | C30 | C32 | 110.3° | 109.5° |
| C29 | C30 | C31 | 106.0° | 109.5° |
| C30 | C29 | H32 | 122.9° | 120.0° |
| C33 | N5 | C30 | 112.9° | 111.0° |
| C33 | N5 | C34 | 108.4° | 111.0° |
| N5 | C33 | H40 | 109.5° | 109.4° |
| N5 | C33 | H41 | 109.5° | 109.4° |
| N5 | C33 | H42 | 109.5° | 109.5° |
| C30 | N5 | C34 | 110.6° | 111.0° |
| N5 | C30 | C32 | 110.6° | 109.5° |
| N5 | C30 | C31 | 108.8° | 109.5° |
| N5 | C34 | H43 | 109.5° | 109.5° |
| N5 | C34 | H44 | 109.5° | 109.4° |
| N5 | C34 | H45 | 109.5° | 109.4° |
| C32 | C30 | C31 | 108.6° | 109.5° |
| C30 | C32 | H37 | 109.5° | 109.5° |
| C30 | C32 | H38 | 109.5° | 109.4° |
| C30 | C32 | H39 | 109.5° | 109.5° |
| C30 | C31 | H34 | 109.5° | 109.4° |
| C30 | C31 | H35 | 109.5° | 109.5° |
| C30 | C31 | H36 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H7 | C14 | H8 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.5° | 109.4° |
| H12 | C19 | H14 | 109.4° | 109.5° |
| H13 | C19 | H14 | 109.5° | 109.5° |
| H15 | C2 | H16 | 109.5° | 109.5° |
| H17 | C20 | H18 | 109.5° | 109.5° |
| H17 | C20 | H19 | 109.5° | 109.5° |
| H18 | C20 | H19 | 109.5° | 109.4° |
| H20 | C21 | H21 | 109.5° | 110.3° |
| H22 | C22 | H23 | 109.5° | 110.9° |
| H24 | C24 | H25 | 109.5° | 110.9° |
| H26 | C25 | H27 | 109.5° | 110.3° |
| H28 | C26 | H29 | 109.4° | 110.0° |
| H34 | C31 | H35 | 109.5° | 109.5° |
| H34 | C31 | H36 | 109.4° | 109.4° |
| H35 | C31 | H36 | 109.5° | 109.6° |
| H37 | C32 | H38 | 109.5° | 109.4° |
| H37 | C32 | H39 | 109.5° | 109.5° |
| H38 | C32 | H39 | 109.5° | 109.5° |
| H40 | C33 | H41 | 109.5° | 109.5° |
| H40 | C33 | H42 | 109.5° | 109.5° |
| H41 | C33 | H42 | 109.5° | 109.5° |
| H43 | C34 | H44 | 109.5° | 109.5° |
| H43 | C34 | H45 | 109.4° | 109.5° |
| H44 | C34 | H45 | 109.5° | 109.5° |
| H46 | C37 | H47 | 109.5° | 109.6° |
| H48 | C38 | H49 | 109.5° | 109.2° |
| H50 | C39 | H51 | 109.5° | 109.0° |
| H53 | C42 | H54 | 109.5° | 109.5° |
| H55 | C44 | H56 | 109.5° | 109.5° |
| H55 | C44 | H57 | 109.4° | 109.4° |
| H56 | C44 | H57 | 109.5° | 109.4° |
| H58 | C45 | H59 | 109.5° | 109.5° |
| H58 | C45 | H60 | 109.5° | 109.5° |
| H59 | C45 | H60 | 109.5° | 109.5° |
| H61 | C46 | H62 | 109.5° | 109.4° |
| H68 | C55 | H69 | 109.4° | 109.5° |
| H68 | C55 | H70 | 109.5° | 109.5° |
| H69 | C55 | H70 | 109.5° | 109.5° |
| H71 | C56 | H72 | 109.5° | 109.5° |
| H71 | C56 | H73 | 109.5° | 109.5° |
| H72 | C56 | H73 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C56 | O7 | C54 | C55 | 80.8° | 90.0° |
| C56 | O7 | C54 | C50 | 158.2° | 150.0° |
| C56 | O7 | C54 | H67 | 39.4° | 29.9° |
| O7 | C56 | H71 | H72 | 120.0° | 119.9° |
| O7 | C56 | H71 | H73 | 120.0° | 120.0° |
| O7 | C56 | H72 | H73 | 119.9° | 120.0° |
| C55 | C54 | O7 | C50 | 121.0° | 120.0° |
| C55 | C54 | O7 | H67 | 120.2° | 119.9° |
| C55 | C54 | C50 | H67 | 121.0° | 120.0° |
| C55 | C54 | C50 | N8 | 52.5° | 75.0° |
| C55 | C54 | C50 | C49 | 129.5° | 105.0° |
| C54 | C55 | H68 | H69 | 120.0° | 120.0° |
| C54 | C55 | H68 | H70 | 120.0° | 119.9° |
| C54 | C55 | H69 | H70 | 120.0° | 120.0° |
| O7 | C54 | C50 | H67 | 119.4° | 120.0° |
| O7 | C54 | C50 | N8 | 67.1° | 45.0° |
| O7 | C54 | C50 | C49 | 110.9° | 135.0° |
| O7 | C54 | C55 | H68 | 180.0° | 180.0° |
| O7 | C54 | C55 | H69 | 60.0° | 60.0° |
| O7 | C54 | C55 | H70 | 60.0° | 60.0° |
| C54 | O7 | C56 | H71 | 180.0° | 180.0° |
| C54 | O7 | C56 | H72 | 60.0° | 60.1° |
| C54 | O7 | C56 | H73 | 60.0° | 60.0° |
| C54 | C50 | N8 | C51 | 179.7° | 180.0° |
| C54 | C50 | N8 | C49 | 178.1° | 180.0° |
| C54 | C50 | C49 | C53 | 179.6° | 180.0° |
| C54 | C50 | C49 | C48 | 0.1° | 0.3° |
| C50 | C54 | C55 | H68 | 62.4° | 60.0° |
| C50 | C54 | C55 | H69 | 177.7° | 180.0° |
| C50 | C54 | C55 | H70 | 57.7° | 60.0° |
| N8 | C51 | C52 | H64 | 180.0° | 179.5° |
| C51 | N8 | C50 | C49 | 1.5° | 0.0° |
| N8 | C51 | C52 | C53 | 0.8° | 0.5° |
| N8 | C51 | C52 | H65 | 179.2° | 179.5° |
| C50 | N8 | C51 | C52 | 1.1° | 0.3° |
| N8 | C50 | C49 | C53 | 1.6° | 0.0° |
| N8 | C50 | C49 | C48 | 178.1° | 179.7° |
| C50 | N8 | C51 | H64 | 178.9° | 179.7° |
| N8 | C50 | C54 | H67 | 173.5° | 165.0° |
| C51 | C52 | C53 | H65 | 180.0° | 180.0° |
| C51 | C52 | C53 | C49 | 0.9° | 0.5° |
| C51 | C52 | C53 | H66 | 179.1° | 179.4° |
| C50 | C49 | C53 | C52 | 1.3° | 0.3° |
| C50 | C49 | C53 | C48 | 179.7° | 179.7° |
| C50 | C49 | C48 | N1 | 67.0° | 92.6° |
| C50 | C49 | C48 | C47 | 114.5° | 87.3° |
| C50 | C49 | C53 | H66 | 178.7° | 179.7° |
| C49 | C50 | C54 | H67 | 8.5° | 15.0° |
| C52 | C53 | C49 | H66 | 180.0° | 180.0° |
| C52 | C53 | C49 | C48 | 178.4° | 180.0° |
| C53 | C52 | C51 | H64 | 179.2° | 180.0° |
| N1 | C2 | C1 | H15 | 119.2° | 120.0° |
| N1 | C2 | C1 | H16 | 119.2° | 120.0° |
| C2 | N1 | C48 | C49 | 3.0° | 0.5° |
| C2 | N1 | C48 | C3 | 175.3° | 180.0° |
| C2 | N1 | C48 | C47 | 175.8° | 179.6° |
| C2 | N1 | C3 | C8 | 3.9° | 1.4° |
| C2 | N1 | C3 | C4 | 176.3° | 178.2° |
| N1 | C2 | C1 | H1 | 180.0° | 60.1° |
| N1 | C2 | C1 | H2 | 60.0° | 180.0° |
| N1 | C2 | C1 | H3 | 60.0° | 60.0° |
| N1 | C2 | H15 | H16 | 122.4° | 120.0° |
| C1 | C2 | N1 | C48 | 90.8° | 90.0° |
| C1 | C2 | N1 | C3 | 83.8° | 90.0° |
| C2 | C1 | H1 | H2 | 120.0° | 119.9° |
| C2 | C1 | H1 | H3 | 120.0° | 120.1° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H15 | H16 | 122.4° | 120.0° |
| C53 | C49 | C48 | N1 | 112.7° | 87.1° |
| C53 | C49 | C48 | C47 | 65.8° | 92.9° |
| C49 | C53 | C52 | H65 | 179.1° | 179.5° |
| C49 | C48 | N1 | C47 | 178.8° | 179.9° |
| C49 | C48 | N1 | C3 | 178.3° | 179.5° |
| C49 | C48 | C47 | C46 | 0.0° | 1.0° |
| C49 | C48 | C47 | C4 | 178.8° | 178.9° |
| C48 | C49 | C53 | H66 | 1.6° | 0.0° |
| C45 | C43 | C42 | C46 | 120.7° | 120.0° |
| C45 | C43 | C42 | C44 | 121.2° | 120.1° |
| C45 | C43 | C46 | C44 | 120.0° | 120.1° |
| C45 | C43 | C46 | C47 | 59.3° | 73.3° |
| C45 | C43 | C42 | O6 | 168.2° | 135.9° |
| C45 | C43 | C42 | H53 | 72.2° | 104.1° |
| C45 | C43 | C42 | H54 | 48.5° | 16.0° |
| C45 | C43 | C44 | H55 | 180.0° | 60.0° |
| C45 | C43 | C44 | H56 | 60.0° | 60.0° |
| C45 | C43 | C44 | H57 | 60.0° | 179.9° |
| C43 | C45 | H58 | H59 | 120.0° | 120.0° |
| C43 | C45 | H58 | H60 | 120.0° | 120.0° |
| C43 | C45 | H59 | H60 | 120.0° | 120.0° |
| C45 | C43 | C46 | H61 | 179.1° | 46.8° |
| C45 | C43 | C46 | H62 | 62.2° | 166.6° |
| C48 | N1 | C3 | C8 | 179.4° | 178.6° |
| C48 | N1 | C3 | C4 | 0.9° | 1.8° |
| N1 | C48 | C47 | C46 | 178.7° | 178.9° |
| N1 | C48 | C47 | C4 | 0.1° | 1.1° |
| C48 | N1 | C2 | H15 | 28.4° | 30.0° |
| C48 | N1 | C2 | H16 | 150.0° | 150.0° |
| C3 | N1 | C48 | C47 | 0.5° | 0.4° |
| N1 | C3 | C8 | C4 | 179.8° | 179.5° |
| N1 | C3 | C4 | C47 | 0.9° | 2.4° |
| N1 | C3 | C8 | C7 | 178.5° | 178.5° |
| N1 | C3 | C4 | C5 | 179.0° | 177.8° |
| C3 | N1 | C2 | H15 | 157.0° | 150.0° |
| C3 | N1 | C2 | H16 | 35.3° | 29.9° |
| N1 | C3 | C8 | H76 | 1.5° | 1.4° |
| C48 | C47 | C46 | C43 | 95.0° | 94.3° |
| C48 | C47 | C4 | C3 | 0.5° | 2.2° |
| C48 | C47 | C46 | C4 | 178.5° | 180.0° |
| C48 | C47 | C4 | C5 | 179.3° | 178.1° |
| C48 | C47 | C46 | H61 | 143.5° | 25.8° |
| C48 | C47 | C46 | H62 | 26.6° | 145.6° |
| C42 | C43 | C46 | C44 | 120.7° | 119.9° |
| C42 | C43 | C46 | C47 | 60.0° | 166.7° |
| C43 | C42 | O6 | H53 | 119.6° | 120.0° |
| C43 | C42 | O6 | H54 | 119.7° | 119.9° |
| C43 | C42 | O6 | C41 | 173.2° | 164.1° |
| C43 | C42 | H53 | H54 | 121.1° | 120.1° |
| C42 | C43 | C44 | H55 | 60.1° | 60.1° |
| C42 | C43 | C44 | H56 | 59.9° | 179.9° |
| C42 | C43 | C44 | H57 | 180.0° | 60.0° |
| C42 | C43 | C45 | H58 | 180.0° | 64.1° |
| C42 | C43 | C45 | H59 | 60.0° | 175.9° |
| C42 | C43 | C45 | H60 | 60.0° | 55.9° |
| C42 | C43 | C46 | H61 | 61.6° | 73.2° |
| C42 | C43 | C46 | H62 | 178.5° | 46.6° |
| C43 | C46 | C47 | H61 | 121.5° | 120.1° |
| C43 | C46 | C47 | H62 | 121.5° | 120.1° |
| C43 | C46 | C47 | C4 | 86.5° | 85.7° |
| C46 | C43 | C42 | O6 | 71.1° | 104.1° |
| C46 | C43 | C42 | H53 | 48.5° | 15.9° |
| C46 | C43 | C42 | H54 | 169.3° | 136.0° |
| C46 | C43 | C44 | H55 | 59.8° | 179.9° |
| C46 | C43 | C44 | H56 | 179.8° | 60.1° |
| C46 | C43 | C44 | H57 | 60.1° | 59.9° |
| C46 | C43 | C45 | H58 | 59.6° | 55.8° |
| C46 | C43 | C45 | H59 | 179.7° | 64.2° |
| C46 | C43 | C45 | H60 | 60.3° | 175.8° |
| C43 | C46 | H61 | H62 | 115.0° | 119.8° |
| C44 | C43 | C46 | C47 | 179.3° | 46.8° |
| C44 | C43 | C42 | O6 | 47.0° | 15.8° |
| C44 | C43 | C42 | H53 | 166.6° | 135.8° |
| C44 | C43 | C42 | H54 | 72.7° | 104.1° |
| C43 | C44 | H55 | H56 | 120.0° | 120.0° |
| C43 | C44 | H55 | H57 | 120.0° | 120.1° |
| C43 | C44 | H56 | H57 | 120.0° | 120.0° |
| C44 | C43 | C45 | H58 | 58.3° | 175.9° |
| C44 | C43 | C45 | H59 | 61.7° | 55.9° |
| C44 | C43 | C45 | H60 | 178.3° | 64.2° |
| C44 | C43 | C46 | H61 | 59.1° | 166.9° |
| C44 | C43 | C46 | H62 | 57.8° | 73.3° |
| C8 | C3 | C4 | C47 | 179.3° | 177.9° |
| C3 | C8 | C7 | H76 | 180.0° | 179.9° |
| C8 | C3 | C4 | C5 | 0.9° | 1.8° |
| C3 | C8 | C7 | C6 | 1.9° | 0.3° |
| C3 | C8 | C7 | H75 | 178.1° | 179.7° |
| C3 | C4 | C47 | C46 | 178.2° | 177.8° |
| C3 | C4 | C47 | C5 | 179.8° | 179.7° |
| C4 | C3 | C8 | C7 | 1.3° | 1.0° |
| C3 | C4 | C5 | C6 | 1.1° | 1.3° |
| C3 | C4 | C5 | H63 | 178.9° | 178.7° |
| C4 | C3 | C8 | H76 | 178.7° | 179.1° |
| C46 | C47 | C4 | C5 | 2.0° | 1.9° |
| C47 | C46 | H61 | H62 | 115.0° | 119.8° |
| C47 | C4 | C5 | C6 | 179.1° | 178.4° |
| C4 | C47 | C46 | H61 | 35.0° | 154.3° |
| C4 | C47 | C46 | H62 | 152.0° | 34.4° |
| C47 | C4 | C5 | H63 | 0.9° | 1.6° |
| C42 | O6 | C41 | O5 | 5.8° | 1.6° |
| C42 | O6 | C41 | C40 | 170.7° | 178.4° |
| O6 | C42 | H53 | H54 | 121.1° | 120.1° |
| C8 | C7 | C6 | H75 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 2.1° | 0.8° |
| C8 | C7 | C6 | C9 | 178.2° | 178.7° |
| C4 | C5 | C6 | C7 | 1.7° | 0.0° |
| C4 | C5 | C6 | H63 | 180.0° | 180.0° |
| C4 | C5 | C6 | C9 | 177.7° | 179.5° |
| C7 | C6 | C5 | C9 | 176.0° | 179.5° |
| C7 | C6 | C9 | C10 | 22.0° | 6.2° |
| C7 | C6 | C9 | C57 | 161.3° | 173.2° |
| C7 | C6 | C5 | H63 | 178.3° | 180.0° |
| C6 | C7 | C8 | H76 | 178.1° | 179.6° |
| O5 | C41 | O6 | C40 | 176.5° | 179.9° |
| O5 | C41 | C40 | C39 | 112.7° | 13.6° |
| O5 | C41 | C40 | N7 | 10.2° | 134.1° |
| O5 | C41 | C40 | H52 | 130.1° | 107.0° |
| O6 | C41 | C40 | C39 | 63.5° | 166.3° |
| O6 | C41 | C40 | N7 | 173.6° | 45.8° |
| O6 | C41 | C40 | H52 | 53.7° | 73.1° |
| C41 | O6 | C42 | H53 | 67.2° | 75.9° |
| C41 | O6 | C42 | H54 | 53.6° | 44.2° |
| C5 | C6 | C9 | C10 | 154.0° | 174.3° |
| C5 | C6 | C9 | C57 | 22.6° | 6.2° |
| C5 | C6 | C7 | H75 | 177.9° | 179.1° |
| C6 | C9 | C10 | C57 | 176.8° | 179.5° |
| C6 | C9 | C10 | C11 | 179.5° | 179.6° |
| C6 | C9 | C57 | C13 | 179.8° | 179.1° |
| C6 | C9 | C10 | H4 | 0.5° | 0.7° |
| C9 | C6 | C5 | H63 | 2.2° | 0.6° |
| C6 | C9 | C57 | H74 | 0.2° | 0.8° |
| C9 | C6 | C7 | H75 | 1.8° | 1.4° |
| C41 | C40 | C39 | N7 | 120.5° | 120.1° |
| C41 | C40 | C39 | H52 | 117.8° | 120.2° |
| C41 | C40 | N7 | H52 | 119.8° | 119.0° |
| C41 | C40 | C39 | C38 | 175.7° | 154.5° |
| C41 | C40 | N7 | N6 | 171.3° | 173.2° |
| C41 | C40 | C39 | H50 | 55.7° | 84.9° |
| C41 | C40 | C39 | H51 | 64.3° | 34.0° |
| C41 | C40 | N7 | H79 | 68.6° | 49.7° |
| C9 | C10 | C11 | H4 | 180.0° | 179.6° |
| C9 | C10 | C11 | C12 | 1.1° | 0.4° |
| C10 | C9 | C57 | C13 | 3.2° | 0.3° |
| C9 | C10 | C11 | H5 | 178.9° | 179.7° |
| C10 | C9 | C57 | H74 | 176.8° | 179.7° |
| C11 | C10 | C9 | C57 | 2.7° | 0.2° |
| C10 | C11 | C12 | H5 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.2° | 0.2° |
| C10 | C11 | C12 | H6 | 179.8° | 179.8° |
| C9 | C57 | C13 | H74 | 180.0° | 179.9° |
| C9 | C57 | C13 | C12 | 2.0° | 0.5° |
| C9 | C57 | C13 | C14 | 177.8° | 179.5° |
| C57 | C9 | C10 | H4 | 177.3° | 179.8° |
| C39 | C40 | N7 | H52 | 121.0° | 120.2° |
| C40 | C39 | C38 | H50 | 119.9° | 120.6° |
| C40 | C39 | C38 | H51 | 120.0° | 120.5° |
| C39 | C40 | N7 | N6 | 52.1° | 66.0° |
| C40 | C39 | C38 | C37 | 54.5° | 24.5° |
| C40 | C39 | C38 | H48 | 174.6° | 145.0° |
| C40 | C39 | C38 | H49 | 65.6° | 95.8° |
| C40 | C39 | H50 | H51 | 120.1° | 118.8° |
| C39 | C40 | N7 | H79 | 172.2° | 170.6° |
| N7 | C40 | C39 | C38 | 55.2° | 34.4° |
| C40 | N7 | N6 | H79 | 120.2° | 123.4° |
| C40 | N7 | N6 | C37 | 53.3° | 32.7° |
| C40 | N7 | N6 | C36 | 128.2° | 147.0° |
| N7 | C40 | C39 | H50 | 64.8° | 155.0° |
| N7 | C40 | C39 | H51 | 175.2° | 86.1° |
| C39 | C38 | C37 | H48 | 120.1° | 120.4° |
| C39 | C38 | C37 | H49 | 120.1° | 120.3° |
| C39 | C38 | C37 | N6 | 51.6° | 56.6° |
| C39 | C38 | C37 | H46 | 68.3° | 176.4° |
| C39 | C38 | C37 | H47 | 171.4° | 63.3° |
| C39 | C38 | H48 | H49 | 119.8° | 119.1° |
| C38 | C39 | H50 | H51 | 120.1° | 118.9° |
| C38 | C39 | C40 | H52 | 66.5° | 85.3° |
| C11 | C12 | C13 | C57 | 0.2° | 0.3° |
| C11 | C12 | C13 | H6 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 179.5° | 179.7° |
| C12 | C11 | C10 | H4 | 179.0° | 179.9° |
| C57 | C13 | C12 | C14 | 179.7° | 180.0° |
| C57 | C13 | C14 | C15 | 122.3° | 6.1° |
| C57 | C13 | C12 | H6 | 179.7° | 179.7° |
| C57 | C13 | C14 | H7 | 1.9° | 126.1° |
| C57 | C13 | C14 | H8 | 117.3° | 113.9° |
| N7 | N6 | C37 | C38 | 53.6° | 27.8° |
| N7 | N6 | C37 | C36 | 178.5° | 179.8° |
| N7 | N6 | C36 | C15 | 0.8° | 1.0° |
| N7 | N6 | C36 | O4 | 179.4° | 179.1° |
| N7 | N6 | C37 | H46 | 66.2° | 147.5° |
| N7 | N6 | C37 | H47 | 173.5° | 92.2° |
| N6 | N7 | C40 | H52 | 69.0° | 54.2° |
| C12 | C13 | C14 | C15 | 58.0° | 173.9° |
| C13 | C12 | C11 | H5 | 179.8° | 179.9° |
| C12 | C13 | C14 | H7 | 178.4° | 53.9° |
| C12 | C13 | C14 | H8 | 62.4° | 66.1° |
| C12 | C13 | C57 | H74 | 178.1° | 179.5° |
| C13 | C14 | C15 | H7 | 120.4° | 120.0° |
| C13 | C14 | C15 | H8 | 120.4° | 120.0° |
| C13 | C14 | C15 | C36 | 142.6° | 158.3° |
| C13 | C14 | C15 | N2 | 94.7° | 81.7° |
| C14 | C13 | C12 | H6 | 0.5° | 0.3° |
| C13 | C14 | H7 | H8 | 118.8° | 120.0° |
| C13 | C14 | C15 | H9 | 23.4° | 38.2° |
| C14 | C13 | C57 | H74 | 2.2° | 0.5° |
| C38 | C37 | N6 | H46 | 119.9° | 119.8° |
| C38 | C37 | N6 | H47 | 119.8° | 119.9° |
| C38 | C37 | N6 | C36 | 127.9° | 152.5° |
| C38 | C37 | H46 | H47 | 120.4° | 120.4° |
| C37 | C38 | H48 | H49 | 119.8° | 119.2° |
| C37 | C38 | C39 | H50 | 65.4° | 96.1° |
| C37 | C38 | C39 | H51 | 174.5° | 145.0° |
| C37 | N6 | C36 | C15 | 179.3° | 178.8° |
| C37 | N6 | C36 | O4 | 0.9° | 1.1° |
| N6 | C37 | H46 | H47 | 120.4° | 120.3° |
| N6 | C37 | C38 | H48 | 171.6° | 177.0° |
| N6 | C37 | C38 | H49 | 68.5° | 63.8° |
| C37 | N6 | N7 | H79 | 173.5° | 156.2° |
| N6 | C36 | C15 | C14 | 80.3° | 175.7° |
| N6 | C36 | C15 | O4 | 179.8° | 179.9° |
| N6 | C36 | C15 | N2 | 158.3° | 55.7° |
| N6 | C36 | C15 | H9 | 38.6° | 64.2° |
| C36 | N6 | C37 | H46 | 112.3° | 32.7° |
| C36 | N6 | C37 | H47 | 8.0° | 87.6° |
| C36 | N6 | N7 | H79 | 8.0° | 23.6° |
| O1 | C16 | N2 | C15 | 1.0° | 4.5° |
| O1 | C16 | N2 | C17 | 177.6° | 179.9° |
| O1 | C16 | C17 | N3 | 67.0° | 15.0° |
| O1 | C16 | C17 | C18 | 57.2° | 104.9° |
| O1 | C16 | C17 | H10 | 176.0° | 135.1° |
| O1 | C16 | N2 | H77 | 179.0° | 175.5° |
| C14 | C15 | C36 | N2 | 121.3° | 120.0° |
| C14 | C15 | C36 | H9 | 119.0° | 120.1° |
| C14 | C15 | N2 | H9 | 117.2° | 119.9° |
| C14 | C15 | C36 | O4 | 99.5° | 4.4° |
| C14 | C15 | N2 | C16 | 123.2° | 66.4° |
| C15 | C14 | H7 | H8 | 118.8° | 120.0° |
| C14 | C15 | N2 | H77 | 56.8° | 113.6° |
| C36 | C15 | N2 | H9 | 119.1° | 120.0° |
| C36 | C15 | N2 | C16 | 113.1° | 53.7° |
| C36 | C15 | C14 | H7 | 22.2° | 38.3° |
| C36 | C15 | C14 | H8 | 97.0° | 81.7° |
| C36 | C15 | N2 | H77 | 66.9° | 126.3° |
| N2 | C15 | C36 | O4 | 21.9° | 124.4° |
| C15 | N2 | C16 | H77 | 180.0° | 180.0° |
| C15 | N2 | C16 | C17 | 178.6° | 175.4° |
| N2 | C15 | C14 | H7 | 144.9° | 158.3° |
| N2 | C15 | C14 | H8 | 25.7° | 38.3° |
| C25 | C24 | C23 | H24 | 119.4° | 118.1° |
| C25 | C24 | C23 | H25 | 119.3° | 118.1° |
| C24 | C25 | N4 | H26 | 119.1° | 118.9° |
| C24 | C25 | N4 | H27 | 119.1° | 118.9° |
| C25 | C24 | C23 | C22 | 163.5° | 154.7° |
| C25 | C24 | C23 | C35 | 83.3° | 87.6° |
| C25 | C24 | C23 | C26 | 35.1° | 34.1° |
| C24 | C25 | N4 | C26 | 2.4° | 23.9° |
| C24 | C25 | N4 | C27 | 179.2° | 156.1° |
| C25 | C24 | H24 | H25 | 121.8° | 124.0° |
| C24 | C25 | H26 | H27 | 122.6° | 122.2° |
| C24 | C23 | C22 | C21 | 88.1° | 145.0° |
| C23 | C24 | C25 | N4 | 23.6° | 35.7° |
| C24 | C23 | C22 | C35 | 116.8° | 121.4° |
| C24 | C23 | C22 | C26 | 120.7° | 116.2° |
| C24 | C23 | C35 | C26 | 113.0° | 117.0° |
| C24 | C23 | C35 | N3 | 101.1° | 136.1° |
| C24 | C23 | C35 | O3 | 78.5° | 43.9° |
| C24 | C23 | C26 | N4 | 32.1° | 20.9° |
| C24 | C23 | C22 | H22 | 31.3° | 27.0° |
| C24 | C23 | C22 | H23 | 152.5° | 96.9° |
| C23 | C24 | H24 | H25 | 121.8° | 123.9° |
| C23 | C24 | C25 | H26 | 95.5° | 83.2° |
| C23 | C24 | C25 | H27 | 142.7° | 154.6° |
| C24 | C23 | C26 | H28 | 86.6° | 98.5° |
| C24 | C23 | C26 | H29 | 150.7° | 140.3° |
| O4 | C36 | C15 | H9 | 141.6° | 115.7° |
| N2 | C16 | C17 | N3 | 110.8° | 164.9° |
| N2 | C16 | C17 | C18 | 125.1° | 75.2° |
| C16 | N2 | C15 | H9 | 6.0° | 173.7° |
| N2 | C16 | C17 | H10 | 6.3° | 44.8° |
| C16 | C17 | N3 | C21 | 89.4° | 114.0° |
| C16 | C17 | N3 | C18 | 125.1° | 119.9° |
| C16 | C17 | N3 | H10 | 116.8° | 120.0° |
| C16 | C17 | N3 | C35 | 89.1° | 65.9° |
| C16 | C17 | C18 | H10 | 119.0° | 120.0° |
| C16 | C17 | C18 | C19 | 61.3° | 66.3° |
| C16 | C17 | C18 | C20 | 176.3° | 173.7° |
| C16 | C17 | C18 | H11 | 60.3° | 53.6° |
| C17 | C16 | N2 | H77 | 1.4° | 4.6° |
| C22 | C21 | N3 | H20 | 118.3° | 119.0° |
| C22 | C21 | N3 | H21 | 118.3° | 119.0° |
| C21 | C22 | C23 | H22 | 119.4° | 118.0° |
| C21 | C22 | C23 | H23 | 119.4° | 118.1° |
| C21 | C22 | C23 | C35 | 28.7° | 23.6° |
| C21 | C22 | C23 | C26 | 151.2° | 98.8° |
| C22 | C21 | N3 | C17 | 165.7° | 163.3° |
| C22 | C21 | N3 | C35 | 15.7° | 16.8° |
| C22 | C21 | H20 | H21 | 124.9° | 122.0° |
| C21 | C22 | H22 | H23 | 121.8° | 124.0° |
| N3 | C21 | C22 | C23 | 26.5° | 24.3° |
| C21 | N3 | C35 | C23 | 2.2° | 1.2° |
| C21 | N3 | C17 | C35 | 178.6° | 179.9° |
| C21 | N3 | C17 | C18 | 35.7° | 126.1° |
| C21 | N3 | C35 | O3 | 178.2° | 178.8° |
| C21 | N3 | C17 | H10 | 153.8° | 6.0° |
| N3 | C21 | H20 | H21 | 124.9° | 121.9° |
| N3 | C21 | C22 | H22 | 145.9° | 93.7° |
| N3 | C21 | C22 | H23 | 92.9° | 142.3° |
| C25 | N4 | C26 | C23 | 18.8° | 2.0° |
| C25 | N4 | C26 | C27 | 178.2° | 180.0° |
| C25 | N4 | C27 | O2 | 3.9° | 175.0° |
| C25 | N4 | C27 | C28 | 176.4° | 5.0° |
| N4 | C25 | C24 | H24 | 95.8° | 153.8° |
| N4 | C25 | C24 | H25 | 142.9° | 82.3° |
| N4 | C25 | H26 | H27 | 122.7° | 122.2° |
| C25 | N4 | C26 | H28 | 99.9° | 121.3° |
| C25 | N4 | C26 | H29 | 137.5° | 117.4° |
| C22 | C23 | C35 | C26 | 126.6° | 121.9° |
| C22 | C23 | C35 | N3 | 19.3° | 15.1° |
| C22 | C23 | C35 | O3 | 161.1° | 164.9° |
| C22 | C23 | C26 | N4 | 158.1° | 141.1° |
| C23 | C22 | C21 | H20 | 144.7° | 94.7° |
| C23 | C22 | C21 | H21 | 91.8° | 143.3° |
| C23 | C22 | H22 | H23 | 121.8° | 123.9° |
| C22 | C23 | C24 | H24 | 44.2° | 87.3° |
| C22 | C23 | C24 | H25 | 77.1° | 36.6° |
| C22 | C23 | C26 | H28 | 39.4° | 21.7° |
| C22 | C23 | C26 | H29 | 83.2° | 99.5° |
| C23 | C35 | N3 | C17 | 176.4° | 178.9° |
| C23 | C35 | N3 | O3 | 179.6° | 180.0° |
| C35 | C23 | C26 | N4 | 84.2° | 100.5° |
| C35 | C23 | C22 | H22 | 148.1° | 94.4° |
| C35 | C23 | C22 | H23 | 90.7° | 141.7° |
| C35 | C23 | C24 | H24 | 157.4° | 30.5° |
| C35 | C23 | C24 | H25 | 36.1° | 154.3° |
| C35 | C23 | C26 | H28 | 157.2° | 140.2° |
| C35 | C23 | C26 | H29 | 34.5° | 19.0° |
| C26 | C23 | C35 | N3 | 145.9° | 106.9° |
| C26 | C23 | C35 | O3 | 34.5° | 73.1° |
| C23 | C26 | N4 | H28 | 118.7° | 119.3° |
| C23 | C26 | N4 | H29 | 118.7° | 119.4° |
| C23 | C26 | N4 | C27 | 159.4° | 178.0° |
| C26 | C23 | C22 | H22 | 89.4° | 143.2° |
| C26 | C23 | C22 | H23 | 31.8° | 19.3° |
| C26 | C23 | C24 | H24 | 84.3° | 152.2° |
| C26 | C23 | C24 | H25 | 154.4° | 83.9° |
| C23 | C26 | H28 | H29 | 123.8° | 121.2° |
| N3 | C17 | C18 | H10 | 118.4° | 120.1° |
| N3 | C17 | C18 | C19 | 176.1° | 173.7° |
| N3 | C17 | C18 | C20 | 61.1° | 53.7° |
| C17 | N3 | C35 | O3 | 3.2° | 1.1° |
| N3 | C17 | C18 | H11 | 62.3° | 66.3° |
| C17 | N3 | C21 | H20 | 47.5° | 77.7° |
| C17 | N3 | C21 | H21 | 76.0° | 44.2° |
| C35 | N3 | C17 | C18 | 145.7° | 54.0° |
| C35 | N3 | C17 | H10 | 27.7° | 174.1° |
| C35 | N3 | C21 | H20 | 133.9° | 102.2° |
| C35 | N3 | C21 | H21 | 102.6° | 135.8° |
| C17 | C18 | C19 | C20 | 118.7° | 120.0° |
| C17 | C18 | C19 | H11 | 121.5° | 120.0° |
| C17 | C18 | C20 | H11 | 123.2° | 120.1° |
| C17 | C18 | C19 | H12 | 180.0° | 59.5° |
| C17 | C18 | C19 | H13 | 60.0° | 179.4° |
| C17 | C18 | C19 | H14 | 60.0° | 60.5° |
| C17 | C18 | C20 | H17 | 180.0° | 60.0° |
| C17 | C18 | C20 | H18 | 60.0° | 179.9° |
| C17 | C18 | C20 | H19 | 60.0° | 60.0° |
| C19 | C18 | C20 | H11 | 119.6° | 120.0° |
| C19 | C18 | C17 | H10 | 57.7° | 53.7° |
| C18 | C19 | H12 | H13 | 120.0° | 120.0° |
| C18 | C19 | H12 | H14 | 120.0° | 120.0° |
| C18 | C19 | H13 | H14 | 120.0° | 120.0° |
| C19 | C18 | C20 | H17 | 62.9° | 180.0° |
| C19 | C18 | C20 | H18 | 57.1° | 60.0° |
| C19 | C18 | C20 | H19 | 177.1° | 60.0° |
| C20 | C18 | C17 | H10 | 57.4° | 66.3° |
| C20 | C18 | C19 | H12 | 61.3° | 60.5° |
| C20 | C18 | C19 | H13 | 178.7° | 59.5° |
| C20 | C18 | C19 | H14 | 58.7° | 179.5° |
| C18 | C20 | H17 | H18 | 120.0° | 120.0° |
| C18 | C20 | H17 | H19 | 120.0° | 120.0° |
| C18 | C20 | H18 | H19 | 120.0° | 120.0° |
| C26 | N4 | C27 | O2 | 174.2° | 5.0° |
| C26 | N4 | C27 | C28 | 5.5° | 175.0° |
| C26 | N4 | C25 | H26 | 116.6° | 95.0° |
| C26 | N4 | C25 | H27 | 121.5° | 142.9° |
| N4 | C26 | H28 | H29 | 123.8° | 121.3° |
| N4 | C27 | O2 | C28 | 179.7° | 180.0° |
| N4 | C27 | C28 | C29 | 148.1° | 180.0° |
| C27 | N4 | C25 | H26 | 61.7° | 85.0° |
| C27 | N4 | C25 | H27 | 60.1° | 37.1° |
| C27 | N4 | C26 | H28 | 81.9° | 58.7° |
| C27 | N4 | C26 | H29 | 40.7° | 62.6° |
| N4 | C27 | C28 | H30 | 31.9° | 0.0° |
| O2 | C27 | C28 | C29 | 32.2° | 0.0° |
| O2 | C27 | C28 | H30 | 147.8° | 180.0° |
| C27 | C28 | C29 | H30 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 178.1° | 174.3° |
| C27 | C28 | C29 | H32 | 1.8° | 5.7° |
| C28 | C29 | C30 | H32 | 180.0° | 180.0° |
| C28 | C29 | C30 | N5 | 66.1° | 6.1° |
| C28 | C29 | C30 | C32 | 170.0° | 113.8° |
| C28 | C29 | C30 | C31 | 52.6° | 126.1° |
| C29 | C30 | N5 | C33 | 73.2° | 66.6° |
| C29 | C30 | N5 | C32 | 123.8° | 120.0° |
| C29 | C30 | N5 | C31 | 117.1° | 120.0° |
| C29 | C30 | N5 | C34 | 165.1° | 169.4° |
| C29 | C30 | C32 | C31 | 115.8° | 120.0° |
| C30 | C29 | C28 | H30 | 1.9° | 5.7° |
| C29 | C30 | C31 | H34 | 180.0° | 60.0° |
| C29 | C30 | C31 | H35 | 60.0° | 180.0° |
| C29 | C30 | C31 | H36 | 60.0° | 59.9° |
| C29 | C30 | C32 | H37 | 180.0° | 60.0° |
| C29 | C30 | C32 | H38 | 60.0° | 179.9° |
| C29 | C30 | C32 | H39 | 60.0° | 60.1° |
| C33 | N5 | C30 | C34 | 121.7° | 123.9° |
| C33 | N5 | C30 | C32 | 50.6° | 173.4° |
| C33 | N5 | C30 | C31 | 169.7° | 53.4° |
| N5 | C33 | H40 | H41 | 120.0° | 119.9° |
| N5 | C33 | H40 | H42 | 120.0° | 120.0° |
| N5 | C33 | H41 | H42 | 120.0° | 120.0° |
| C33 | N5 | C34 | H43 | 180.0° | 64.0° |
| C33 | N5 | C34 | H44 | 60.0° | 176.0° |
| C33 | N5 | C34 | H45 | 60.0° | 56.1° |
| N5 | C30 | C32 | C31 | 119.3° | 120.0° |
| N5 | C30 | C29 | H32 | 113.9° | 173.9° |
| N5 | C30 | C31 | H34 | 59.0° | 180.0° |
| N5 | C30 | C31 | H35 | 61.0° | 60.1° |
| N5 | C30 | C31 | H36 | 178.9° | 60.0° |
| N5 | C30 | C32 | H37 | 55.0° | 60.0° |
| N5 | C30 | C32 | H38 | 175.0° | 60.0° |
| N5 | C30 | C32 | H39 | 65.0° | 180.0° |
| C30 | N5 | C33 | H40 | 180.0° | 66.9° |
| C30 | N5 | C33 | H41 | 60.0° | 173.2° |
| C30 | N5 | C33 | H42 | 60.0° | 53.1° |
| C30 | N5 | C34 | H43 | 55.7° | 60.0° |
| C30 | N5 | C34 | H44 | 64.3° | 60.0° |
| C30 | N5 | C34 | H45 | 175.7° | 180.0° |
| C34 | N5 | C30 | C32 | 71.1° | 49.5° |
| C34 | N5 | C30 | C31 | 48.1° | 70.6° |
| C34 | N5 | C33 | H40 | 57.1° | 57.1° |
| C34 | N5 | C33 | H41 | 62.9° | 62.9° |
| C34 | N5 | C33 | H42 | 177.1° | 177.1° |
| N5 | C34 | H43 | H44 | 120.0° | 120.0° |
| N5 | C34 | H43 | H45 | 120.0° | 120.0° |
| N5 | C34 | H44 | H45 | 120.0° | 119.9° |
| C32 | C30 | C29 | H32 | 10.0° | 66.2° |
| C32 | C30 | C31 | H34 | 61.4° | 60.0° |
| C32 | C30 | C31 | H35 | 178.5° | 60.0° |
| C32 | C30 | C31 | H36 | 58.5° | 179.9° |
| C30 | C32 | H37 | H38 | 120.0° | 120.0° |
| C30 | C32 | H37 | H39 | 120.0° | 120.0° |
| C30 | C32 | H38 | H39 | 120.0° | 120.0° |
| C31 | C30 | C29 | H32 | 127.4° | 53.9° |
| C30 | C31 | H34 | H35 | 120.0° | 120.0° |
| C30 | C31 | H34 | H36 | 120.0° | 119.9° |
| C30 | C31 | H35 | H36 | 120.0° | 120.1° |
| C31 | C30 | C32 | H37 | 64.2° | 180.0° |
| C31 | C30 | C32 | H38 | 55.8° | 60.0° |
| C31 | C30 | C32 | H39 | 175.8° | 60.0° |
| H1 | C1 | H2 | H3 | 120.1° | 120.0° |
| H1 | C1 | C2 | H15 | 60.8° | 180.0° |
| H1 | C1 | C2 | H16 | 60.8° | 59.9° |
| H2 | C1 | C2 | H15 | 179.2° | 60.0° |
| H2 | C1 | C2 | H16 | 59.2° | 60.0° |
| H3 | C1 | C2 | H15 | 59.2° | 60.0° |
| H3 | C1 | C2 | H16 | 179.2° | 180.0° |
| H4 | C10 | C11 | H5 | 1.0° | 0.0° |
| H5 | C11 | C12 | H6 | 0.2° | 0.1° |
| H7 | C14 | C15 | H9 | 97.0° | 81.8° |
| H8 | C14 | C15 | H9 | 143.8° | 158.2° |
| H9 | C15 | N2 | H77 | 174.0° | 6.3° |
| H10 | C17 | C18 | H11 | 179.3° | 173.6° |
| H11 | C18 | C19 | H12 | 58.5° | 179.5° |
| H11 | C18 | C19 | H13 | 61.5° | 60.5° |
| H11 | C18 | C19 | H14 | 178.5° | 59.5° |
| H11 | C18 | C20 | H17 | 56.8° | 60.0° |
| H11 | C18 | C20 | H18 | 176.8° | 60.0° |
| H11 | C18 | C20 | H19 | 63.2° | 180.0° |
| H12 | C19 | H13 | H14 | 120.0° | 120.0° |
| H17 | C20 | H18 | H19 | 120.0° | 120.0° |
| H20 | C21 | C22 | H22 | 95.9° | 147.3° |
| H20 | C21 | C22 | H23 | 25.3° | 23.4° |
| H21 | C21 | C22 | H22 | 27.6° | 25.3° |
| H21 | C21 | C22 | H23 | 148.8° | 98.6° |
| H24 | C24 | C25 | H26 | 145.1° | 34.9° |
| H24 | C24 | C25 | H27 | 23.3° | 87.3° |
| H25 | C24 | C25 | H26 | 23.8° | 158.8° |
| H25 | C24 | C25 | H27 | 98.0° | 36.6° |
| H30 | C28 | C29 | H32 | 178.1° | 174.3° |
| H34 | C31 | H35 | H36 | 120.0° | 120.0° |
| H37 | C32 | H38 | H39 | 120.0° | 120.0° |
| H40 | C33 | H41 | H42 | 120.0° | 120.1° |
| H43 | C34 | H44 | H45 | 120.0° | 120.1° |
| H46 | C37 | C38 | H48 | 51.8° | 63.2° |
| H46 | C37 | C38 | H49 | 171.7° | 56.0° |
| H47 | C37 | C38 | H48 | 68.5° | 57.2° |
| H47 | C37 | C38 | H49 | 51.4° | 176.4° |
| H48 | C38 | C39 | H50 | 54.7° | 24.4° |
| H48 | C38 | C39 | H51 | 65.4° | 94.5° |
| H49 | C38 | C39 | H50 | 174.5° | 143.6° |
| H49 | C38 | C39 | H51 | 54.4° | 24.6° |
| H50 | C39 | C40 | H52 | 173.6° | 35.3° |
| H51 | C39 | C40 | H52 | 53.5° | 154.2° |
| H52 | C40 | N7 | H79 | 51.2° | 69.2° |
| H55 | C44 | H56 | H57 | 120.0° | 119.9° |
| H58 | C45 | H59 | H60 | 120.0° | 120.0° |
| H64 | C51 | C52 | H65 | 0.8° | 0.0° |
| H65 | C52 | C53 | H66 | 0.9° | 0.5° |
| H67 | C54 | C55 | H68 | 59.0° | 60.0° |
| H67 | C54 | C55 | H69 | 61.0° | 60.0° |
| H67 | C54 | C55 | H70 | 179.0° | 180.0° |
| H68 | C55 | H69 | H70 | 120.1° | 120.0° |
| H71 | C56 | H72 | H73 | 120.0° | 120.0° |
| H75 | C7 | C8 | H76 | 1.9° | 0.4° |
