I0O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N16 | C9 | sing | 1.47Å | 1.47Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C8 | O15 | sing | 1.43Å | 1.42Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C10 | O11 | sing | 1.43Å | 1.44Å | |
| O14 | C7 | sing | 1.43Å | 1.43Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| O11 | C6 | sing | 1.43Å | 1.42Å | |
| C6 | O5 | sing | 1.43Å | 1.40Å | |
| O4 | P2 | doub | 1.48Å | 1.50Å | |
| O5 | P2 | sing | 1.61Å | 1.61Å | |
| P2 | O1 | sing | 1.61Å | 1.61Å | |
| P2 | O3 | sing | 1.61Å | 1.50Å | |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | doub | 1.31Å | 1.33Å | |
| C13 | C3 | sing | 1.51Å | 1.50Å | |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C11 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | doub | 1.31Å | 1.33Å | |
| C14 | C12 | sing | 1.51Å | 1.50Å | |
| C12 | C15 | sing | 1.51Å | 1.50Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.51Å | 1.50Å | |
| C17 | C18 | doub | 1.31Å | 1.33Å | |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| C18 | C20 | sing | 1.51Å | 1.50Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.51Å | 1.50Å | |
| C22 | C23 | doub | 1.31Å | 1.33Å | |
| C44 | C43 | sing | 1.51Å | 1.50Å | |
| C23 | C24 | sing | 1.51Å | 1.50Å | |
| C23 | C25 | sing | 1.51Å | 1.50Å | |
| C50 | C48 | sing | 1.51Å | 1.50Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C41 | C40 | sing | 1.53Å | 1.52Å | |
| C41 | C42 | sing | 1.51Å | 1.50Å | |
| C43 | C42 | doub | 1.31Å | 1.33Å | |
| C43 | C45 | sing | 1.51Å | 1.50Å | |
| C40 | C38 | sing | 1.51Å | 1.50Å | |
| C48 | C47 | doub | 1.31Å | 1.32Å | |
| C48 | C49 | sing | 1.51Å | 1.50Å | |
| C47 | C46 | sing | 1.51Å | 1.50Å | |
| C26 | C27 | sing | 1.51Å | 1.50Å | |
| C45 | C46 | sing | 1.53Å | 1.52Å | |
| C39 | C38 | sing | 1.51Å | 1.50Å | |
| C38 | C37 | doub | 1.31Å | 1.33Å | |
| C27 | C28 | doub | 1.31Å | 1.33Å | |
| C37 | C36 | sing | 1.51Å | 1.50Å | |
| C28 | C30 | sing | 1.51Å | 1.50Å | |
| C28 | C29 | sing | 1.51Å | 1.50Å | |
| C30 | C31 | sing | 1.53Å | 1.51Å | |
| C36 | C35 | sing | 1.53Å | 1.52Å | |
| C31 | C32 | sing | 1.51Å | 1.50Å | |
| C32 | C33 | doub | 1.31Å | 1.33Å | |
| C35 | C33 | sing | 1.51Å | 1.50Å | |
| C33 | C34 | sing | 1.51Å | 1.50Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C37 | H32 | sing | 1.08Å | 1.08Å | |
| C39 | H33 | sing | 1.09Å | 1.10Å | |
| C39 | H34 | sing | 1.09Å | 1.10Å | |
| C39 | H35 | sing | 1.09Å | 1.10Å | |
| C40 | H36 | sing | 1.09Å | 1.10Å | |
| C40 | H37 | sing | 1.09Å | 1.10Å | |
| C10 | H38 | sing | 1.09Å | 1.10Å | |
| C10 | H39 | sing | 1.09Å | 1.10Å | |
| C11 | H40 | sing | 1.08Å | 1.08Å | |
| C13 | H41 | sing | 1.09Å | 1.10Å | |
| C13 | H42 | sing | 1.09Å | 1.10Å | |
| C13 | H43 | sing | 1.09Å | 1.10Å | |
| C14 | H44 | sing | 1.09Å | 1.10Å | |
| C14 | H45 | sing | 1.09Å | 1.10Å | |
| C14 | H46 | sing | 1.09Å | 1.10Å | |
| C20 | H47 | sing | 1.09Å | 1.10Å | |
| C20 | H48 | sing | 1.09Å | 1.10Å | |
| C21 | H49 | sing | 1.09Å | 1.10Å | |
| C21 | H50 | sing | 1.09Å | 1.10Å | |
| C22 | H51 | sing | 1.08Å | 1.08Å | |
| C30 | H52 | sing | 1.09Å | 1.10Å | |
| C30 | H53 | sing | 1.09Å | 1.10Å | |
| C31 | H54 | sing | 1.09Å | 1.10Å | |
| C31 | H55 | sing | 1.09Å | 1.10Å | |
| C32 | H56 | sing | 1.08Å | 1.08Å | |
| C34 | H57 | sing | 1.09Å | 1.10Å | |
| C34 | H58 | sing | 1.09Å | 1.10Å | |
| C34 | H59 | sing | 1.09Å | 1.10Å | |
| C35 | H60 | sing | 1.09Å | 1.10Å | |
| C35 | H61 | sing | 1.09Å | 1.10Å | |
| C41 | H62 | sing | 1.09Å | 1.10Å | |
| C41 | H63 | sing | 1.09Å | 1.10Å | |
| C42 | H64 | sing | 1.08Å | 1.08Å | |
| C44 | H65 | sing | 1.09Å | 1.10Å | |
| C44 | H66 | sing | 1.09Å | 1.10Å | |
| C44 | H67 | sing | 1.09Å | 1.10Å | |
| C45 | H68 | sing | 1.09Å | 1.10Å | |
| C45 | H69 | sing | 1.09Å | 1.10Å | |
| C46 | H70 | sing | 1.09Å | 1.10Å | |
| C46 | H71 | sing | 1.09Å | 1.10Å | |
| C47 | H72 | sing | 1.08Å | 1.08Å | |
| C49 | H73 | sing | 1.09Å | 1.10Å | |
| C49 | H74 | sing | 1.09Å | 1.10Å | |
| C49 | H75 | sing | 1.09Å | 1.10Å | |
| C50 | H76 | sing | 1.09Å | 1.10Å | |
| C50 | H77 | sing | 1.09Å | 1.10Å | |
| C50 | H78 | sing | 1.09Å | 1.10Å | |
| C8 | H79 | sing | 1.09Å | 1.10Å | |
| N16 | H80 | sing | 1.01Å | 1.00Å | |
| N16 | H81 | sing | 1.01Å | 1.00Å | |
| O14 | H83 | sing | 0.97Å | 0.95Å | |
| O15 | H84 | sing | 0.97Å | 0.95Å | |
| O3 | H85 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N16 | C9 | C8 | 112.4° | 109.5° |
| N16 | C9 | C10 | 112.3° | 109.5° |
| N16 | C9 | H10 | 107.4° | 109.5° |
| C9 | N16 | H80 | 109.5° | 111.0° |
| C9 | N16 | H81 | 109.5° | 111.1° |
| C8 | C9 | C10 | 110.8° | 109.2° |
| C9 | C8 | O15 | 109.3° | 109.6° |
| C9 | C8 | C7 | 109.9° | 109.0° |
| C8 | C9 | H10 | 106.7° | 109.5° |
| C9 | C8 | H79 | 108.7° | 109.5° |
| C9 | C10 | O11 | 111.3° | 109.4° |
| C10 | C9 | H10 | 106.9° | 109.5° |
| C9 | C10 | H38 | 109.0° | 109.4° |
| C9 | C10 | H39 | 109.0° | 109.5° |
| O15 | C8 | C7 | 109.8° | 109.6° |
| O15 | C8 | H79 | 110.2° | 109.6° |
| C8 | O15 | H84 | 109.5° | 114.0° |
| C8 | C7 | O14 | 110.7° | 109.6° |
| C8 | C7 | C6 | 111.2° | 109.2° |
| C8 | C7 | H9 | 108.0° | 109.5° |
| C7 | C8 | H79 | 108.8° | 109.5° |
| C10 | O11 | C6 | 112.3° | 114.1° |
| O11 | C10 | H38 | 109.0° | 109.5° |
| O11 | C10 | H39 | 109.0° | 109.5° |
| O14 | C7 | C6 | 109.5° | 109.5° |
| O14 | C7 | H9 | 109.3° | 109.5° |
| C7 | O14 | H83 | 109.5° | 114.0° |
| C7 | C6 | O11 | 110.0° | 109.4° |
| C7 | C6 | O5 | 108.2° | 109.5° |
| C7 | C6 | H8 | 108.2° | 109.5° |
| C6 | C7 | H9 | 108.0° | 109.5° |
| O11 | C6 | O5 | 111.1° | 109.5° |
| O11 | C6 | H8 | 109.6° | 109.5° |
| C6 | O5 | P2 | 123.4° | 123.0° |
| O5 | C6 | H8 | 109.7° | 109.5° |
| O4 | P2 | O5 | 110.2° | 109.5° |
| O4 | P2 | O1 | 107.7° | 109.5° |
| O4 | P2 | O3 | 117.0° | 109.5° |
| O5 | P2 | O1 | 101.9° | 109.5° |
| O5 | P2 | O3 | 109.3° | 109.5° |
| O1 | P2 | O3 | 109.6° | 109.4° |
| P2 | O1 | C1 | 119.8° | 123.0° |
| P2 | O3 | H85 | 109.5° | 114.0° |
| O1 | C1 | C2 | 111.0° | 109.5° |
| O1 | C1 | H1 | 109.1° | 109.5° |
| O1 | C1 | H2 | 109.1° | 109.5° |
| C1 | C2 | C3 | 125.3° | 120.0° |
| C2 | C1 | H1 | 109.1° | 109.5° |
| C2 | C1 | H2 | 109.1° | 109.4° |
| C1 | C2 | H3 | 117.3° | 120.0° |
| C2 | C3 | C13 | 123.0° | 120.0° |
| C2 | C3 | C4 | 121.6° | 120.0° |
| C3 | C2 | H3 | 117.4° | 120.0° |
| C13 | C3 | C4 | 115.4° | 120.0° |
| C3 | C13 | H41 | 109.5° | 109.5° |
| C3 | C13 | H42 | 109.5° | 109.5° |
| C3 | C13 | H43 | 109.5° | 109.5° |
| C3 | C4 | C5 | 113.6° | 109.5° |
| C3 | C4 | H4 | 108.4° | 109.5° |
| C3 | C4 | H5 | 108.4° | 109.5° |
| C4 | C5 | C11 | 113.3° | 109.5° |
| C5 | C4 | H4 | 108.4° | 109.5° |
| C5 | C4 | H5 | 108.4° | 109.5° |
| C4 | C5 | H6 | 108.5° | 109.5° |
| C4 | C5 | H7 | 108.5° | 109.5° |
| C5 | C11 | C12 | 128.2° | 120.0° |
| C11 | C5 | H6 | 108.5° | 109.5° |
| C11 | C5 | H7 | 108.5° | 109.4° |
| C5 | C11 | H40 | 115.9° | 120.0° |
| C11 | C12 | C14 | 123.5° | 119.9° |
| C11 | C12 | C15 | 121.6° | 120.1° |
| C12 | C11 | H40 | 115.9° | 120.0° |
| C14 | C12 | C15 | 114.9° | 120.0° |
| C12 | C14 | H44 | 109.5° | 109.5° |
| C12 | C14 | H45 | 109.5° | 109.4° |
| C12 | C14 | H46 | 109.5° | 109.5° |
| C12 | C15 | C16 | 115.5° | 109.5° |
| C12 | C15 | H11 | 107.9° | 109.5° |
| C12 | C15 | H12 | 108.0° | 109.5° |
| C15 | C16 | C17 | 113.2° | 109.5° |
| C16 | C15 | H11 | 108.0° | 109.5° |
| C16 | C15 | H12 | 107.9° | 109.5° |
| C15 | C16 | H13 | 108.6° | 109.5° |
| C15 | C16 | H14 | 108.6° | 109.5° |
| C16 | C17 | C18 | 128.5° | 120.0° |
| C17 | C16 | H13 | 108.5° | 109.4° |
| C17 | C16 | H14 | 108.5° | 109.5° |
| C16 | C17 | H15 | 115.8° | 120.0° |
| C17 | C18 | C19 | 123.5° | 120.0° |
| C17 | C18 | C20 | 121.6° | 120.0° |
| C18 | C17 | H15 | 115.8° | 120.0° |
| C19 | C18 | C20 | 114.9° | 120.0° |
| C18 | C19 | H16 | 109.5° | 109.5° |
| C18 | C19 | H17 | 109.4° | 109.5° |
| C18 | C19 | H18 | 109.5° | 109.5° |
| C18 | C20 | C21 | 113.5° | 109.5° |
| C18 | C20 | H47 | 108.5° | 109.4° |
| C18 | C20 | H48 | 108.4° | 109.5° |
| C20 | C21 | C22 | 114.1° | 109.4° |
| C21 | C20 | H47 | 108.4° | 109.5° |
| C21 | C20 | H48 | 108.4° | 109.5° |
| C20 | C21 | H49 | 108.3° | 109.5° |
| C20 | C21 | H50 | 108.3° | 109.4° |
| C21 | C22 | C23 | 127.6° | 120.0° |
| C22 | C21 | H49 | 108.3° | 109.5° |
| C22 | C21 | H50 | 108.3° | 109.5° |
| C21 | C22 | H51 | 116.2° | 120.0° |
| C22 | C23 | C24 | 123.8° | 120.0° |
| C22 | C23 | C25 | 120.9° | 120.0° |
| C23 | C22 | H51 | 116.2° | 120.0° |
| C44 | C43 | C42 | 123.6° | 120.0° |
| C44 | C43 | C45 | 115.1° | 120.0° |
| C43 | C44 | H65 | 109.5° | 109.5° |
| C43 | C44 | H66 | 109.5° | 109.4° |
| C43 | C44 | H67 | 109.5° | 109.5° |
| C24 | C23 | C25 | 115.4° | 119.9° |
| C23 | C24 | H19 | 109.5° | 109.5° |
| C23 | C24 | H20 | 109.5° | 109.5° |
| C23 | C24 | H21 | 109.5° | 109.4° |
| C23 | C25 | C26 | 114.6° | 109.5° |
| C23 | C25 | H22 | 108.2° | 109.4° |
| C23 | C25 | H23 | 108.1° | 109.5° |
| C50 | C48 | C47 | 122.7° | 120.0° |
| C50 | C48 | C49 | 114.5° | 120.0° |
| C48 | C50 | H76 | 109.5° | 109.4° |
| C48 | C50 | H77 | 109.5° | 109.5° |
| C48 | C50 | H78 | 109.5° | 109.5° |
| C25 | C26 | C27 | 113.1° | 109.5° |
| C26 | C25 | H22 | 108.2° | 109.5° |
| C26 | C25 | H23 | 108.2° | 109.5° |
| C25 | C26 | H24 | 108.6° | 109.5° |
| C25 | C26 | H25 | 108.6° | 109.5° |
| C40 | C41 | C42 | 114.2° | 109.5° |
| C41 | C40 | C38 | 115.1° | 109.5° |
| C41 | C40 | H36 | 108.1° | 109.5° |
| C41 | C40 | H37 | 108.1° | 109.4° |
| C40 | C41 | H62 | 108.3° | 109.5° |
| C40 | C41 | H63 | 108.3° | 109.4° |
| C41 | C42 | C43 | 127.9° | 120.0° |
| C42 | C41 | H62 | 108.3° | 109.5° |
| C42 | C41 | H63 | 108.3° | 109.4° |
| C41 | C42 | H64 | 116.1° | 120.1° |
| C42 | C43 | C45 | 121.3° | 120.0° |
| C43 | C42 | H64 | 116.0° | 120.0° |
| C43 | C45 | C46 | 114.4° | 109.4° |
| C43 | C45 | H68 | 108.2° | 109.5° |
| C43 | C45 | H69 | 108.2° | 109.5° |
| C40 | C38 | C39 | 114.9° | 120.0° |
| C40 | C38 | C37 | 121.6° | 120.0° |
| C38 | C40 | H36 | 108.0° | 109.5° |
| C38 | C40 | H37 | 108.1° | 109.5° |
| C47 | C48 | C49 | 122.7° | 120.0° |
| C48 | C47 | C46 | 128.4° | 120.0° |
| C48 | C47 | H72 | 115.8° | 120.0° |
| C48 | C49 | H73 | 109.5° | 109.5° |
| C48 | C49 | H74 | 109.4° | 109.5° |
| C48 | C49 | H75 | 109.4° | 109.5° |
| C47 | C46 | C45 | 112.8° | 109.5° |
| C47 | C46 | H70 | 108.6° | 109.4° |
| C47 | C46 | H71 | 108.6° | 109.5° |
| C46 | C47 | H72 | 115.8° | 120.0° |
| C26 | C27 | C28 | 127.9° | 120.0° |
| C27 | C26 | H24 | 108.6° | 109.4° |
| C27 | C26 | H25 | 108.6° | 109.5° |
| C26 | C27 | H26 | 116.1° | 120.0° |
| C46 | C45 | H68 | 108.2° | 109.5° |
| C46 | C45 | H69 | 108.2° | 109.5° |
| C45 | C46 | H70 | 108.6° | 109.5° |
| C45 | C46 | H71 | 108.6° | 109.5° |
| C39 | C38 | C37 | 123.5° | 120.0° |
| C38 | C39 | H33 | 109.5° | 109.5° |
| C38 | C39 | H34 | 109.5° | 109.5° |
| C38 | C39 | H35 | 109.5° | 109.5° |
| C38 | C37 | C36 | 127.8° | 120.0° |
| C38 | C37 | H32 | 116.1° | 120.0° |
| C27 | C28 | C30 | 120.9° | 119.9° |
| C27 | C28 | C29 | 123.9° | 120.1° |
| C28 | C27 | H26 | 116.0° | 120.0° |
| C37 | C36 | C35 | 114.6° | 109.5° |
| C37 | C36 | H30 | 108.1° | 109.4° |
| C37 | C36 | H31 | 108.2° | 109.4° |
| C36 | C37 | H32 | 116.1° | 120.0° |
| C30 | C28 | C29 | 115.2° | 120.0° |
| C28 | C30 | C31 | 113.3° | 109.5° |
| C28 | C30 | H52 | 108.5° | 109.4° |
| C28 | C30 | H53 | 108.5° | 109.5° |
| C28 | C29 | H27 | 109.5° | 109.5° |
| C28 | C29 | H28 | 109.5° | 109.5° |
| C28 | C29 | H29 | 109.5° | 109.4° |
| C30 | C31 | C32 | 113.2° | 109.5° |
| C31 | C30 | H52 | 108.5° | 109.5° |
| C31 | C30 | H53 | 108.5° | 109.5° |
| C30 | C31 | H54 | 108.6° | 109.5° |
| C30 | C31 | H55 | 108.5° | 109.5° |
| C36 | C35 | C33 | 114.1° | 109.4° |
| C35 | C36 | H30 | 108.2° | 109.5° |
| C35 | C36 | H31 | 108.2° | 109.5° |
| C36 | C35 | H60 | 108.3° | 109.5° |
| C36 | C35 | H61 | 108.3° | 109.5° |
| C31 | C32 | C33 | 129.1° | 120.0° |
| C32 | C31 | H54 | 108.5° | 109.5° |
| C32 | C31 | H55 | 108.5° | 109.5° |
| C31 | C32 | H56 | 115.4° | 120.0° |
| C32 | C33 | C35 | 120.9° | 120.0° |
| C32 | C33 | C34 | 124.1° | 120.0° |
| C33 | C32 | H56 | 115.5° | 120.0° |
| C35 | C33 | C34 | 115.0° | 120.0° |
| C33 | C35 | H60 | 108.3° | 109.5° |
| C33 | C35 | H61 | 108.3° | 109.5° |
| C33 | C34 | H57 | 109.5° | 109.5° |
| C33 | C34 | H58 | 109.5° | 109.4° |
| C33 | C34 | H59 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H4 | C4 | H5 | 109.5° | 109.4° |
| H6 | C5 | H7 | 109.5° | 109.4° |
| H11 | C15 | H12 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.4° | 109.5° |
| H16 | C19 | H17 | 109.5° | 109.4° |
| H16 | C19 | H18 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.5° | 109.5° |
| H19 | C24 | H21 | 109.5° | 109.5° |
| H20 | C24 | H21 | 109.5° | 109.5° |
| H22 | C25 | H23 | 109.5° | 109.5° |
| H24 | C26 | H25 | 109.5° | 109.5° |
| H27 | C29 | H28 | 109.5° | 109.5° |
| H27 | C29 | H29 | 109.5° | 109.5° |
| H28 | C29 | H29 | 109.5° | 109.5° |
| H30 | C36 | H31 | 109.5° | 109.4° |
| H33 | C39 | H34 | 109.5° | 109.4° |
| H33 | C39 | H35 | 109.4° | 109.4° |
| H34 | C39 | H35 | 109.5° | 109.5° |
| H36 | C40 | H37 | 109.5° | 109.5° |
| H38 | C10 | H39 | 109.5° | 109.5° |
| H41 | C13 | H42 | 109.5° | 109.5° |
| H41 | C13 | H43 | 109.4° | 109.5° |
| H42 | C13 | H43 | 109.5° | 109.5° |
| H44 | C14 | H45 | 109.5° | 109.4° |
| H44 | C14 | H46 | 109.5° | 109.5° |
| H45 | C14 | H46 | 109.5° | 109.4° |
| H47 | C20 | H48 | 109.5° | 109.5° |
| H49 | C21 | H50 | 109.5° | 109.5° |
| H52 | C30 | H53 | 109.5° | 109.5° |
| H54 | C31 | H55 | 109.4° | 109.4° |
| H57 | C34 | H58 | 109.5° | 109.5° |
| H57 | C34 | H59 | 109.4° | 109.5° |
| H58 | C34 | H59 | 109.5° | 109.5° |
| H60 | C35 | H61 | 109.5° | 109.5° |
| H62 | C41 | H63 | 109.5° | 109.4° |
| H65 | C44 | H66 | 109.5° | 109.4° |
| H65 | C44 | H67 | 109.5° | 109.5° |
| H66 | C44 | H67 | 109.5° | 109.5° |
| H68 | C45 | H69 | 109.4° | 109.5° |
| H70 | C46 | H71 | 109.5° | 109.5° |
| H73 | C49 | H74 | 109.4° | 109.5° |
| H73 | C49 | H75 | 109.4° | 109.5° |
| H74 | C49 | H75 | 109.5° | 109.4° |
| H76 | C50 | H77 | 109.4° | 109.5° |
| H76 | C50 | H78 | 109.5° | 109.4° |
| H77 | C50 | H78 | 109.5° | 109.5° |
| H80 | N16 | H81 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N16 | C9 | C8 | C10 | 126.5° | 119.9° |
| N16 | C9 | C8 | H10 | 117.5° | 120.1° |
| N16 | C9 | C10 | H10 | 117.6° | 120.2° |
| N16 | C9 | C8 | O15 | 63.7° | 56.9° |
| N16 | C9 | C8 | C7 | 175.7° | 63.0° |
| N16 | C9 | C10 | O11 | 139.9° | 62.3° |
| N16 | C9 | C10 | H38 | 99.8° | 177.7° |
| N16 | C9 | C10 | H39 | 19.7° | 57.7° |
| N16 | C9 | C8 | H79 | 56.7° | 177.2° |
| C9 | N16 | H80 | H81 | 120.0° | 124.1° |
| C8 | C9 | C10 | H10 | 115.9° | 119.9° |
| C9 | C8 | O15 | C7 | 120.7° | 119.6° |
| C9 | C8 | O15 | H79 | 119.4° | 120.2° |
| C9 | C8 | C7 | H79 | 118.9° | 119.8° |
| C8 | C9 | C10 | O11 | 13.4° | 57.6° |
| C9 | C8 | C7 | O14 | 81.8° | 176.9° |
| C9 | C8 | C7 | C6 | 40.2° | 56.9° |
| C9 | C8 | C7 | H9 | 158.6° | 63.0° |
| C8 | C9 | C10 | H38 | 133.6° | 62.4° |
| C8 | C9 | C10 | H39 | 106.9° | 177.6° |
| C8 | C9 | N16 | H80 | 180.0° | 180.0° |
| C8 | C9 | N16 | H81 | 60.0° | 56.0° |
| C9 | C8 | O15 | H84 | 114.4° | 180.0° |
| C10 | C9 | C8 | O15 | 62.9° | 176.8° |
| C10 | C9 | C8 | C7 | 57.8° | 56.9° |
| C9 | C10 | O11 | H38 | 120.3° | 119.9° |
| C9 | C10 | O11 | H39 | 120.3° | 120.0° |
| C9 | C10 | O11 | C6 | 50.1° | 61.2° |
| C9 | C10 | H38 | H39 | 119.2° | 120.0° |
| C10 | C9 | C8 | H79 | 176.8° | 62.9° |
| C10 | C9 | N16 | H80 | 54.3° | 60.3° |
| C10 | C9 | N16 | H81 | 174.3° | 175.7° |
| O15 | C8 | C7 | H79 | 120.7° | 120.3° |
| O15 | C8 | C7 | O14 | 157.9° | 63.2° |
| O15 | C8 | C7 | C6 | 80.1° | 176.8° |
| O15 | C8 | C7 | H9 | 38.3° | 56.9° |
| O15 | C8 | C9 | H10 | 178.8° | 63.2° |
| C8 | C7 | O14 | C6 | 123.0° | 119.7° |
| C8 | C7 | O14 | H9 | 118.8° | 120.1° |
| C8 | C7 | C6 | H9 | 118.3° | 119.8° |
| C8 | C7 | C6 | O11 | 19.2° | 57.6° |
| C8 | C7 | C6 | O5 | 140.8° | 177.6° |
| C8 | C7 | C6 | H8 | 100.4° | 62.4° |
| C7 | C8 | C9 | H10 | 58.2° | 176.9° |
| C8 | C7 | O14 | H83 | 180.0° | 179.7° |
| C7 | C8 | O15 | H84 | 6.4° | 60.4° |
| C10 | O11 | C6 | C7 | 68.6° | 61.2° |
| C10 | O11 | C6 | O5 | 171.6° | 178.9° |
| C10 | O11 | C6 | H8 | 50.2° | 58.8° |
| O11 | C10 | C9 | H10 | 102.5° | 177.5° |
| O11 | C10 | H38 | H39 | 119.2° | 120.1° |
| O14 | C7 | C6 | H9 | 119.0° | 120.2° |
| O14 | C7 | C6 | O11 | 141.9° | 177.6° |
| O14 | C7 | C6 | O5 | 96.5° | 62.5° |
| O14 | C7 | C6 | H8 | 22.3° | 57.6° |
| O14 | C7 | C8 | H79 | 37.2° | 57.1° |
| C7 | C6 | O11 | O5 | 119.8° | 120.0° |
| C7 | C6 | O11 | H8 | 118.8° | 120.0° |
| C7 | C6 | O5 | H8 | 117.8° | 120.0° |
| C7 | C6 | O5 | P2 | 81.5° | 150.0° |
| C6 | C7 | C8 | H79 | 159.2° | 62.9° |
| C6 | C7 | O14 | H83 | 57.0° | 60.0° |
| O11 | C6 | O5 | H8 | 121.3° | 120.0° |
| O11 | C6 | O5 | P2 | 39.3° | 90.1° |
| O11 | C6 | C7 | H9 | 99.1° | 62.2° |
| C6 | O11 | C10 | H38 | 70.1° | 58.8° |
| C6 | O11 | C10 | H39 | 170.4° | 178.8° |
| C6 | O5 | P2 | O4 | 35.9° | 55.0° |
| C6 | O5 | P2 | O1 | 78.3° | 175.0° |
| C6 | O5 | P2 | O3 | 165.8° | 65.0° |
| O5 | C6 | C7 | H9 | 22.4° | 57.7° |
| O4 | P2 | O5 | O1 | 114.1° | 120.0° |
| O4 | P2 | O5 | O3 | 129.9° | 120.0° |
| O4 | P2 | O1 | O3 | 128.4° | 120.0° |
| O4 | P2 | O1 | C1 | 176.2° | 55.0° |
| O4 | P2 | O3 | H85 | 0.0° | 180.0° |
| O5 | P2 | O1 | O3 | 115.7° | 120.0° |
| O5 | P2 | O1 | C1 | 67.9° | 175.0° |
| P2 | O5 | C6 | H8 | 160.7° | 30.0° |
| O5 | P2 | O3 | H85 | 126.1° | 60.0° |
| P2 | O1 | C1 | C2 | 75.4° | 180.0° |
| P2 | O1 | C1 | H1 | 44.8° | 60.0° |
| P2 | O1 | C1 | H2 | 164.3° | 60.0° |
| O1 | P2 | O3 | H85 | 123.0° | 60.0° |
| O3 | P2 | O1 | C1 | 47.8° | 65.0° |
| O1 | C1 | C2 | H1 | 120.2° | 120.0° |
| O1 | C1 | C2 | H2 | 120.2° | 120.0° |
| O1 | C1 | C2 | C3 | 119.0° | 135.3° |
| O1 | C1 | H1 | H2 | 119.3° | 120.0° |
| O1 | C1 | C2 | H3 | 61.0° | 44.7° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C1 | C2 | C3 | C13 | 6.2° | 6.2° |
| C1 | C2 | C3 | C4 | 173.9° | 173.8° |
| C2 | C1 | H1 | H2 | 119.3° | 119.9° |
| C2 | C3 | C13 | C4 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 1.4° | 95.0° |
| C3 | C2 | C1 | H1 | 1.2° | 15.3° |
| C3 | C2 | C1 | H2 | 120.8° | 104.7° |
| C2 | C3 | C4 | H4 | 119.2° | 145.0° |
| C2 | C3 | C4 | H5 | 122.0° | 25.0° |
| C2 | C3 | C13 | H41 | 180.0° | 83.6° |
| C2 | C3 | C13 | H42 | 60.0° | 156.4° |
| C2 | C3 | C13 | H43 | 60.0° | 36.4° |
| C13 | C3 | C4 | C5 | 178.5° | 85.0° |
| C13 | C3 | C2 | H3 | 173.8° | 173.9° |
| C13 | C3 | C4 | H4 | 60.9° | 35.0° |
| C13 | C3 | C4 | H5 | 57.9° | 155.0° |
| C3 | C13 | H41 | H42 | 120.0° | 120.0° |
| C3 | C13 | H41 | H43 | 120.0° | 120.0° |
| C3 | C13 | H42 | H43 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4 | 120.6° | 120.0° |
| C3 | C4 | C5 | H5 | 120.6° | 120.0° |
| C3 | C4 | C5 | C11 | 173.5° | 180.0° |
| C4 | C3 | C2 | H3 | 6.1° | 6.1° |
| C3 | C4 | H4 | H5 | 118.1° | 120.0° |
| C3 | C4 | C5 | H6 | 66.0° | 60.0° |
| C3 | C4 | C5 | H7 | 52.9° | 60.0° |
| C4 | C3 | C13 | H41 | 0.1° | 96.4° |
| C4 | C3 | C13 | H42 | 120.1° | 23.6° |
| C4 | C3 | C13 | H43 | 119.9° | 143.6° |
| C4 | C5 | C11 | H6 | 120.6° | 120.0° |
| C4 | C5 | C11 | H7 | 120.6° | 120.0° |
| C4 | C5 | C11 | C12 | 117.7° | 120.9° |
| C5 | C4 | H4 | H5 | 118.1° | 120.0° |
| C4 | C5 | H6 | H7 | 118.3° | 120.0° |
| C4 | C5 | C11 | H40 | 62.3° | 59.0° |
| C5 | C11 | C12 | H40 | 180.0° | 179.9° |
| C5 | C11 | C12 | C14 | 6.8° | 6.0° |
| C5 | C11 | C12 | C15 | 172.3° | 174.0° |
| C11 | C5 | C4 | H4 | 52.8° | 60.0° |
| C11 | C5 | C4 | H5 | 65.9° | 60.0° |
| C11 | C5 | H6 | H7 | 118.2° | 120.0° |
| C11 | C12 | C14 | C15 | 179.2° | 180.0° |
| C11 | C12 | C15 | C16 | 5.3° | 95.0° |
| C12 | C11 | C5 | H6 | 2.8° | 0.9° |
| C12 | C11 | C5 | H7 | 121.7° | 119.1° |
| C11 | C12 | C15 | H11 | 126.2° | 25.0° |
| C11 | C12 | C15 | H12 | 115.6° | 145.0° |
| C11 | C12 | C14 | H44 | 180.0° | 85.0° |
| C11 | C12 | C14 | H45 | 60.0° | 155.0° |
| C11 | C12 | C14 | H46 | 60.0° | 35.1° |
| C14 | C12 | C15 | C16 | 175.5° | 85.0° |
| C14 | C12 | C15 | H11 | 54.6° | 155.0° |
| C14 | C12 | C15 | H12 | 63.6° | 35.0° |
| C14 | C12 | C11 | H40 | 173.2° | 174.0° |
| C12 | C14 | H44 | H45 | 120.0° | 119.9° |
| C12 | C14 | H44 | H46 | 120.0° | 120.1° |
| C12 | C14 | H45 | H46 | 120.0° | 120.0° |
| C12 | C15 | C16 | H11 | 120.9° | 120.0° |
| C12 | C15 | C16 | H12 | 120.9° | 120.0° |
| C12 | C15 | C16 | C17 | 75.3° | 180.0° |
| C12 | C15 | H11 | H12 | 117.3° | 120.0° |
| C12 | C15 | C16 | H13 | 164.1° | 60.0° |
| C12 | C15 | C16 | H14 | 45.2° | 60.0° |
| C15 | C12 | C11 | H40 | 7.7° | 6.0° |
| C15 | C12 | C14 | H44 | 0.9° | 95.0° |
| C15 | C12 | C14 | H45 | 120.9° | 25.0° |
| C15 | C12 | C14 | H46 | 119.1° | 145.0° |
| C15 | C16 | C17 | H13 | 120.6° | 120.0° |
| C15 | C16 | C17 | H14 | 120.6° | 120.0° |
| C15 | C16 | C17 | C18 | 130.3° | 119.4° |
| C16 | C15 | H11 | H12 | 117.2° | 120.0° |
| C15 | C16 | H13 | H14 | 118.3° | 120.0° |
| C15 | C16 | C17 | H15 | 49.7° | 60.6° |
| C16 | C17 | C18 | H15 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 176.0° | 177.6° |
| C16 | C17 | C18 | C20 | 4.8° | 2.3° |
| C17 | C16 | C15 | H11 | 45.6° | 60.0° |
| C17 | C16 | C15 | H12 | 163.8° | 60.0° |
| C17 | C16 | H13 | H14 | 118.3° | 120.0° |
| C17 | C18 | C19 | C20 | 179.2° | 180.0° |
| C17 | C18 | C20 | C21 | 127.7° | 91.4° |
| C18 | C17 | C16 | H13 | 9.7° | 0.6° |
| C18 | C17 | C16 | H14 | 109.1° | 120.6° |
| C17 | C18 | C19 | H16 | 180.0° | 90.0° |
| C17 | C18 | C19 | H17 | 60.0° | 150.0° |
| C17 | C18 | C19 | H18 | 60.0° | 30.0° |
| C17 | C18 | C20 | H47 | 7.1° | 148.6° |
| C17 | C18 | C20 | H48 | 111.7° | 28.6° |
| C19 | C18 | C20 | C21 | 53.1° | 88.5° |
| C19 | C18 | C17 | H15 | 4.0° | 2.4° |
| C18 | C19 | H16 | H17 | 120.0° | 120.0° |
| C18 | C19 | H16 | H18 | 120.0° | 120.0° |
| C18 | C19 | H17 | H18 | 120.0° | 120.0° |
| C19 | C18 | C20 | H47 | 173.7° | 31.5° |
| C19 | C18 | C20 | H48 | 67.5° | 151.5° |
| C18 | C20 | C21 | H47 | 120.6° | 120.0° |
| C18 | C20 | C21 | H48 | 120.6° | 120.0° |
| C18 | C20 | C21 | C22 | 83.4° | 180.0° |
| C20 | C18 | C17 | H15 | 175.1° | 177.6° |
| C20 | C18 | C19 | H16 | 0.8° | 90.0° |
| C20 | C18 | C19 | H17 | 119.2° | 29.9° |
| C20 | C18 | C19 | H18 | 120.8° | 150.0° |
| C18 | C20 | H47 | H48 | 118.2° | 120.0° |
| C18 | C20 | C21 | H49 | 155.9° | 60.0° |
| C18 | C20 | C21 | H50 | 37.3° | 60.0° |
| C20 | C21 | C22 | H49 | 120.7° | 120.0° |
| C20 | C21 | C22 | H50 | 120.7° | 119.9° |
| C20 | C21 | C22 | C23 | 134.0° | 119.5° |
| C21 | C20 | H47 | H48 | 118.1° | 120.0° |
| C20 | C21 | H49 | H50 | 117.9° | 120.0° |
| C20 | C21 | C22 | H51 | 46.0° | 60.6° |
| C21 | C22 | C23 | H51 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 174.7° | 177.6° |
| C21 | C22 | C23 | C25 | 5.8° | 2.3° |
| C22 | C21 | C20 | H47 | 37.2° | 60.0° |
| C22 | C21 | C20 | H48 | 156.0° | 60.0° |
| C22 | C21 | H49 | H50 | 117.9° | 120.0° |
| C22 | C23 | C24 | C25 | 179.5° | 180.0° |
| C22 | C23 | C25 | C26 | 174.5° | 91.4° |
| C22 | C23 | C24 | H19 | 180.0° | 90.0° |
| C22 | C23 | C24 | H20 | 60.0° | 150.0° |
| C22 | C23 | C24 | H21 | 60.0° | 30.0° |
| C22 | C23 | C25 | H22 | 64.7° | 28.5° |
| C22 | C23 | C25 | H23 | 53.7° | 148.5° |
| C23 | C22 | C21 | H49 | 13.3° | 0.5° |
| C23 | C22 | C21 | H50 | 105.3° | 120.6° |
| C44 | C43 | C42 | C41 | 0.2° | 3.1° |
| C44 | C43 | C42 | C45 | 179.9° | 179.9° |
| C44 | C43 | C45 | C46 | 114.6° | 85.1° |
| C44 | C43 | C42 | H64 | 179.8° | 176.7° |
| C43 | C44 | H65 | H66 | 120.0° | 120.0° |
| C43 | C44 | H65 | H67 | 120.0° | 120.0° |
| C43 | C44 | H66 | H67 | 120.0° | 120.0° |
| C44 | C43 | C45 | H68 | 6.1° | 35.0° |
| C44 | C43 | C45 | H69 | 124.6° | 154.9° |
| C24 | C23 | C25 | C26 | 5.0° | 88.5° |
| C23 | C24 | H19 | H20 | 120.0° | 120.0° |
| C23 | C24 | H19 | H21 | 120.0° | 119.9° |
| C23 | C24 | H20 | H21 | 120.0° | 120.0° |
| C24 | C23 | C25 | H22 | 115.8° | 151.5° |
| C24 | C23 | C25 | H23 | 125.8° | 31.5° |
| C24 | C23 | C22 | H51 | 5.3° | 2.3° |
| C23 | C25 | C26 | H22 | 120.8° | 120.0° |
| C23 | C25 | C26 | H23 | 120.7° | 120.0° |
| C23 | C25 | C26 | C27 | 176.8° | 180.0° |
| C25 | C23 | C24 | H19 | 0.5° | 90.0° |
| C25 | C23 | C24 | H20 | 119.5° | 30.0° |
| C25 | C23 | C24 | H21 | 120.5° | 150.0° |
| C23 | C25 | H22 | H23 | 117.6° | 120.0° |
| C23 | C25 | C26 | H24 | 56.3° | 60.0° |
| C23 | C25 | C26 | H25 | 62.7° | 60.0° |
| C25 | C23 | C22 | H51 | 174.2° | 177.7° |
| C50 | C48 | C47 | C49 | 179.9° | 179.9° |
| C50 | C48 | C47 | C46 | 178.4° | 176.7° |
| C50 | C48 | C47 | H72 | 1.5° | 3.3° |
| C50 | C48 | C49 | H73 | 180.0° | 96.4° |
| C50 | C48 | C49 | H74 | 60.0° | 23.6° |
| C50 | C48 | C49 | H75 | 60.0° | 143.6° |
| C48 | C50 | H76 | H77 | 120.0° | 120.0° |
| C48 | C50 | H76 | H78 | 120.0° | 120.0° |
| C48 | C50 | H77 | H78 | 120.0° | 120.1° |
| C25 | C26 | C27 | H24 | 120.5° | 120.0° |
| C25 | C26 | C27 | H25 | 120.6° | 120.0° |
| C25 | C26 | C27 | C28 | 117.4° | 119.5° |
| C26 | C25 | H22 | H23 | 117.7° | 120.0° |
| C25 | C26 | H24 | H25 | 118.4° | 120.0° |
| C25 | C26 | C27 | H26 | 62.7° | 60.5° |
| C40 | C41 | C42 | H62 | 120.7° | 120.1° |
| C40 | C41 | C42 | H63 | 120.7° | 120.0° |
| C40 | C41 | C42 | C43 | 119.2° | 119.9° |
| C41 | C40 | C38 | H36 | 120.8° | 120.0° |
| C41 | C40 | C38 | H37 | 120.8° | 119.9° |
| C41 | C40 | C38 | C39 | 99.6° | 85.0° |
| C41 | C40 | C38 | C37 | 80.0° | 95.0° |
| C41 | C40 | H36 | H37 | 117.5° | 119.9° |
| C40 | C41 | H62 | H63 | 117.8° | 119.9° |
| C40 | C41 | C42 | H64 | 60.8° | 59.9° |
| C41 | C42 | C43 | H64 | 180.0° | 179.8° |
| C41 | C42 | C43 | C45 | 179.8° | 176.8° |
| C42 | C41 | C40 | C38 | 71.9° | 180.0° |
| C42 | C41 | C40 | H36 | 48.9° | 59.9° |
| C42 | C41 | C40 | H37 | 167.3° | 60.0° |
| C42 | C41 | H62 | H63 | 117.8° | 120.0° |
| C42 | C43 | C45 | C46 | 65.4° | 95.1° |
| C43 | C42 | C41 | H62 | 120.1° | 0.2° |
| C43 | C42 | C41 | H63 | 1.5° | 120.1° |
| C42 | C43 | C44 | H65 | 180.0° | 83.5° |
| C42 | C43 | C44 | H66 | 60.0° | 156.5° |
| C42 | C43 | C44 | H67 | 60.0° | 36.5° |
| C42 | C43 | C45 | H68 | 173.8° | 144.9° |
| C42 | C43 | C45 | H69 | 55.3° | 24.9° |
| C43 | C45 | C46 | C47 | 64.4° | 180.0° |
| C43 | C45 | C46 | H68 | 120.7° | 120.0° |
| C43 | C45 | C46 | H69 | 120.7° | 120.0° |
| C45 | C43 | C42 | H64 | 0.2° | 3.4° |
| C45 | C43 | C44 | H65 | 0.0° | 96.4° |
| C45 | C43 | C44 | H66 | 120.0° | 23.6° |
| C45 | C43 | C44 | H67 | 120.0° | 143.6° |
| C43 | C45 | H68 | H69 | 117.7° | 120.0° |
| C43 | C45 | C46 | H70 | 56.1° | 60.0° |
| C43 | C45 | C46 | H71 | 175.1° | 60.0° |
| C40 | C38 | C39 | C37 | 179.6° | 180.0° |
| C40 | C38 | C37 | C36 | 173.9° | 176.7° |
| C40 | C38 | C37 | H32 | 6.1° | 3.3° |
| C40 | C38 | C39 | H33 | 180.0° | 96.4° |
| C40 | C38 | C39 | H34 | 60.0° | 23.5° |
| C40 | C38 | C39 | H35 | 60.0° | 143.6° |
| C38 | C40 | H36 | H37 | 117.5° | 120.1° |
| C38 | C40 | C41 | H62 | 48.8° | 59.9° |
| C38 | C40 | C41 | H63 | 167.4° | 60.0° |
| C48 | C47 | C46 | H72 | 180.0° | 180.0° |
| C48 | C47 | C46 | C45 | 124.4° | 119.9° |
| C48 | C47 | C46 | H70 | 3.9° | 0.1° |
| C48 | C47 | C46 | H71 | 115.1° | 120.0° |
| C47 | C48 | C49 | H73 | 0.1° | 83.5° |
| C47 | C48 | C49 | H74 | 120.0° | 156.4° |
| C47 | C48 | C49 | H75 | 119.9° | 36.5° |
| C47 | C48 | C50 | H76 | 180.0° | 90.0° |
| C47 | C48 | C50 | H77 | 60.0° | 150.0° |
| C47 | C48 | C50 | H78 | 60.0° | 29.9° |
| C49 | C48 | C47 | C46 | 1.6° | 3.2° |
| C49 | C48 | C47 | H72 | 178.4° | 176.7° |
| C48 | C49 | H73 | H74 | 120.0° | 120.0° |
| C48 | C49 | H73 | H75 | 120.0° | 120.0° |
| C48 | C49 | H74 | H75 | 120.0° | 120.0° |
| C49 | C48 | C50 | H76 | 0.1° | 90.0° |
| C49 | C48 | C50 | H77 | 120.1° | 30.0° |
| C49 | C48 | C50 | H78 | 120.0° | 150.0° |
| C47 | C46 | C45 | H70 | 120.5° | 120.0° |
| C47 | C46 | C45 | H71 | 120.5° | 120.0° |
| C47 | C46 | C45 | H68 | 56.3° | 60.0° |
| C47 | C46 | C45 | H69 | 174.8° | 60.0° |
| C47 | C46 | H70 | H71 | 118.5° | 120.0° |
| C26 | C27 | C28 | H26 | 180.0° | 180.0° |
| C26 | C27 | C28 | C30 | 9.3° | 2.4° |
| C26 | C27 | C28 | C29 | 172.3° | 177.6° |
| C27 | C26 | C25 | H22 | 62.4° | 60.0° |
| C27 | C26 | C25 | H23 | 56.1° | 60.0° |
| C27 | C26 | H24 | H25 | 118.3° | 120.0° |
| C46 | C45 | H68 | H69 | 117.7° | 120.0° |
| C45 | C46 | H70 | H71 | 118.5° | 120.0° |
| C45 | C46 | C47 | H72 | 55.6° | 60.0° |
| C39 | C38 | C37 | C36 | 5.6° | 3.3° |
| C39 | C38 | C37 | H32 | 174.3° | 176.7° |
| C38 | C39 | H33 | H34 | 120.0° | 120.0° |
| C38 | C39 | H33 | H35 | 120.0° | 120.0° |
| C38 | C39 | H34 | H35 | 120.0° | 120.1° |
| C39 | C38 | C40 | H36 | 139.6° | 35.0° |
| C39 | C38 | C40 | H37 | 21.2° | 155.1° |
| C38 | C37 | C36 | H32 | 180.0° | 180.0° |
| C38 | C37 | C36 | C35 | 171.9° | 120.0° |
| C38 | C37 | C36 | H30 | 51.1° | 120.0° |
| C38 | C37 | C36 | H31 | 67.3° | 0.1° |
| C37 | C38 | C39 | H33 | 0.4° | 83.6° |
| C37 | C38 | C39 | H34 | 120.4° | 156.5° |
| C37 | C38 | C39 | H35 | 119.6° | 36.4° |
| C37 | C38 | C40 | H36 | 40.8° | 145.0° |
| C37 | C38 | C40 | H37 | 159.2° | 25.0° |
| C27 | C28 | C30 | C29 | 178.5° | 180.0° |
| C27 | C28 | C30 | C31 | 131.1° | 91.5° |
| C28 | C27 | C26 | H24 | 3.2° | 0.5° |
| C28 | C27 | C26 | H25 | 122.1° | 120.5° |
| C27 | C28 | C29 | H27 | 180.0° | 90.0° |
| C27 | C28 | C29 | H28 | 60.0° | 150.0° |
| C27 | C28 | C29 | H29 | 60.0° | 30.0° |
| C27 | C28 | C30 | H52 | 10.5° | 148.6° |
| C27 | C28 | C30 | H53 | 108.4° | 28.5° |
| C37 | C36 | C35 | H30 | 120.7° | 120.0° |
| C37 | C36 | C35 | H31 | 120.8° | 120.0° |
| C37 | C36 | C35 | C33 | 78.0° | 180.0° |
| C37 | C36 | H30 | H31 | 117.7° | 119.9° |
| C37 | C36 | C35 | H60 | 161.3° | 60.0° |
| C37 | C36 | C35 | H61 | 42.7° | 60.0° |
| C28 | C30 | C31 | H52 | 120.5° | 120.0° |
| C28 | C30 | C31 | H53 | 120.6° | 120.0° |
| C28 | C30 | C31 | C32 | 152.2° | 180.0° |
| C30 | C28 | C27 | H26 | 170.7° | 177.6° |
| C30 | C28 | C29 | H27 | 1.5° | 90.0° |
| C30 | C28 | C29 | H28 | 121.5° | 30.1° |
| C30 | C28 | C29 | H29 | 118.5° | 150.0° |
| C28 | C30 | H52 | H53 | 118.3° | 120.0° |
| C28 | C30 | C31 | H54 | 87.2° | 60.0° |
| C28 | C30 | C31 | H55 | 31.7° | 60.0° |
| C29 | C28 | C30 | C31 | 47.5° | 88.6° |
| C29 | C28 | C27 | H26 | 7.7° | 2.4° |
| C28 | C29 | H27 | H28 | 120.0° | 120.0° |
| C28 | C29 | H27 | H29 | 120.0° | 119.9° |
| C28 | C29 | H28 | H29 | 120.0° | 119.9° |
| C29 | C28 | C30 | H52 | 168.0° | 31.4° |
| C29 | C28 | C30 | H53 | 73.1° | 151.4° |
| C30 | C31 | C32 | H54 | 120.6° | 120.1° |
| C30 | C31 | C32 | H55 | 120.6° | 120.0° |
| C30 | C31 | C32 | C33 | 66.2° | 126.7° |
| C31 | C30 | H52 | H53 | 118.3° | 120.0° |
| C30 | C31 | H54 | H55 | 118.3° | 120.0° |
| C30 | C31 | C32 | H56 | 113.8° | 53.3° |
| C36 | C35 | C33 | C32 | 2.7° | 95.0° |
| C36 | C35 | C33 | H60 | 120.7° | 120.0° |
| C36 | C35 | C33 | H61 | 120.7° | 120.0° |
| C36 | C35 | C33 | C34 | 177.1° | 85.0° |
| C35 | C36 | H30 | H31 | 117.7° | 120.1° |
| C35 | C36 | C37 | H32 | 8.1° | 60.0° |
| C36 | C35 | H60 | H61 | 117.8° | 120.0° |
| C31 | C32 | C33 | H56 | 180.0° | 180.0° |
| C31 | C32 | C33 | C35 | 169.1° | 177.2° |
| C31 | C32 | C33 | C34 | 10.7° | 2.7° |
| C32 | C31 | C30 | H52 | 31.7° | 60.0° |
| C32 | C31 | C30 | H53 | 87.2° | 60.1° |
| C32 | C31 | H54 | H55 | 118.3° | 120.0° |
| C32 | C33 | C35 | C34 | 179.8° | 179.9° |
| C33 | C32 | C31 | H54 | 54.3° | 113.2° |
| C33 | C32 | C31 | H55 | 173.2° | 6.7° |
| C32 | C33 | C34 | H57 | 180.0° | 84.0° |
| C32 | C33 | C34 | H58 | 60.0° | 155.9° |
| C32 | C33 | C34 | H59 | 60.0° | 36.0° |
| C32 | C33 | C35 | H60 | 118.0° | 24.9° |
| C32 | C33 | C35 | H61 | 123.4° | 145.0° |
| C33 | C35 | C36 | H30 | 42.7° | 60.0° |
| C33 | C35 | C36 | H31 | 161.2° | 60.0° |
| C35 | C33 | C32 | H56 | 10.9° | 2.8° |
| C35 | C33 | C34 | H57 | 0.2° | 95.9° |
| C35 | C33 | C34 | H58 | 119.8° | 24.2° |
| C35 | C33 | C34 | H59 | 120.2° | 144.1° |
| C33 | C35 | H60 | H61 | 117.9° | 120.0° |
| C34 | C33 | C32 | H56 | 169.3° | 177.3° |
| C33 | C34 | H57 | H58 | 120.0° | 120.0° |
| C33 | C34 | H57 | H59 | 120.0° | 120.0° |
| C33 | C34 | H58 | H59 | 120.0° | 119.9° |
| C34 | C33 | C35 | H60 | 62.2° | 155.0° |
| C34 | C33 | C35 | H61 | 56.4° | 35.0° |
| H1 | C1 | C2 | H3 | 178.8° | 164.7° |
| H2 | C1 | C2 | H3 | 59.2° | 75.4° |
| H4 | C4 | C5 | H6 | 173.4° | 180.0° |
| H4 | C4 | C5 | H7 | 67.7° | 60.0° |
| H5 | C4 | C5 | H6 | 54.6° | 60.0° |
| H5 | C4 | C5 | H7 | 173.5° | 180.0° |
| H6 | C5 | C11 | H40 | 177.2° | 179.0° |
| H7 | C5 | C11 | H40 | 58.3° | 61.0° |
| H8 | C6 | C7 | H9 | 141.3° | 177.8° |
| H9 | C7 | C8 | H79 | 82.5° | 177.2° |
| H9 | C7 | O14 | H83 | 61.1° | 60.2° |
| H10 | C9 | C10 | H38 | 17.7° | 57.5° |
| H10 | C9 | C10 | H39 | 137.2° | 62.5° |
| H10 | C9 | C8 | H79 | 60.8° | 57.1° |
| H10 | C9 | N16 | H80 | 62.9° | 59.9° |
| H10 | C9 | N16 | H81 | 57.1° | 64.1° |
| H11 | C15 | C16 | H13 | 75.0° | 60.0° |
| H11 | C15 | C16 | H14 | 166.1° | 180.0° |
| H12 | C15 | C16 | H13 | 43.2° | 180.0° |
| H12 | C15 | C16 | H14 | 75.7° | 60.0° |
| H13 | C16 | C17 | H15 | 170.3° | 179.5° |
| H14 | C16 | C17 | H15 | 70.8° | 59.5° |
| H16 | C19 | H17 | H18 | 120.0° | 120.0° |
| H19 | C24 | H20 | H21 | 120.0° | 120.0° |
| H22 | C25 | C26 | H24 | 177.0° | 60.0° |
| H22 | C25 | C26 | H25 | 58.1° | NaN° |
| H23 | C25 | C26 | H24 | 64.5° | 180.0° |
| H23 | C25 | C26 | H25 | 176.6° | 60.0° |
| H24 | C26 | C27 | H26 | 176.8° | 179.5° |
| H25 | C26 | C27 | H26 | 57.9° | 59.5° |
| H27 | C29 | H28 | H29 | 120.0° | 120.0° |
| H30 | C36 | C37 | H32 | 128.8° | 60.0° |
| H30 | C36 | C35 | H60 | 78.0° | 180.0° |
| H30 | C36 | C35 | H61 | 163.4° | 60.0° |
| H31 | C36 | C37 | H32 | 112.7° | 180.0° |
| H31 | C36 | C35 | H60 | 40.5° | 60.0° |
| H31 | C36 | C35 | H61 | 78.1° | 180.0° |
| H33 | C39 | H34 | H35 | 120.0° | 119.9° |
| H36 | C40 | C41 | H62 | 169.6° | 180.0° |
| H36 | C40 | C41 | H63 | 71.8° | 60.0° |
| H37 | C40 | C41 | H62 | 72.0° | 60.1° |
| H37 | C40 | C41 | H63 | 46.6° | 180.0° |
| H41 | C13 | H42 | H43 | 120.0° | 120.0° |
| H44 | C14 | H45 | H46 | 120.0° | 120.0° |
| H47 | C20 | C21 | H49 | 83.4° | 180.0° |
| H47 | C20 | C21 | H50 | 157.9° | 60.0° |
| H48 | C20 | C21 | H49 | 35.4° | 60.0° |
| H48 | C20 | C21 | H50 | 83.3° | 180.0° |
| H49 | C21 | C22 | H51 | 166.6° | 179.4° |
| H50 | C21 | C22 | H51 | 74.7° | 59.4° |
| H52 | C30 | C31 | H54 | 152.3° | 180.0° |
| H52 | C30 | C31 | H55 | 88.9° | 60.0° |
| H53 | C30 | C31 | H54 | 33.4° | 60.0° |
| H53 | C30 | C31 | H55 | 152.2° | 180.0° |
| H54 | C31 | C32 | H56 | 125.7° | 66.8° |
| H55 | C31 | C32 | H56 | 6.8° | 173.3° |
| H57 | C34 | H58 | H59 | 119.9° | 120.0° |
| H62 | C41 | C42 | H64 | 59.9° | 180.0° |
| H63 | C41 | C42 | H64 | 178.5° | 60.0° |
| H65 | C44 | H66 | H67 | 120.0° | 120.0° |
| H68 | C45 | C46 | H70 | 176.8° | 180.0° |
| H68 | C45 | C46 | H71 | 64.2° | 60.0° |
| H69 | C45 | C46 | H70 | 64.7° | 60.0° |
| H69 | C45 | C46 | H71 | 54.3° | 180.0° |
| H70 | C46 | C47 | H72 | 176.1° | 179.9° |
| H71 | C46 | C47 | H72 | 64.9° | 60.0° |
| H73 | C49 | H74 | H75 | 120.0° | 120.0° |
| H76 | C50 | H77 | H78 | 120.0° | 120.0° |
| H79 | C8 | O15 | H84 | 126.2° | 59.8° |
