7H9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C21 | sing | 1.38Å | 1.36Å | Aromatic |
| C24 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| N14 | C15 | doub | 1.32Å | 1.34Å | Aromatic |
| N14 | C13 | sing | 1.32Å | 1.33Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| F22 | C21 | sing | 1.35Å | 1.36Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C12 | C10 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | doub | 1.38Å | 1.36Å | Aromatic |
| C13 | C10 | sing | 1.51Å | 1.48Å | |
| C13 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.51Å | |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.54Å | 1.55Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C16 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.40Å | 1.39Å | Aromatic |
| C26 | N8 | sing | 1.40Å | 1.39Å | |
| C9 | N8 | sing | 1.47Å | 1.47Å | |
| N8 | C6 | sing | 1.35Å | 1.36Å | |
| C33 | O32 | sing | 1.43Å | 1.43Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| O32 | C31 | sing | 1.43Å | 1.42Å | |
| C6 | O7 | doub | 1.21Å | 1.22Å | |
| C6 | C5 | sing | 1.51Å | 1.53Å | |
| C31 | C30 | sing | 1.53Å | 1.50Å | |
| C35 | C34 | sing | 1.53Å | 1.52Å | |
| C34 | N29 | sing | 1.47Å | 1.48Å | |
| C5 | N4 | sing | 1.47Å | 1.46Å | |
| N29 | C30 | sing | 1.47Å | 1.47Å | |
| N29 | C28 | sing | 1.47Å | 1.47Å | |
| N4 | C3 | sing | 1.47Å | 1.47Å | |
| N4 | C27 | sing | 1.47Å | 1.48Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C27 | C36 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C2 | N37 | sing | 1.47Å | 1.50Å | |
| C36 | N37 | sing | 1.47Å | 1.49Å | |
| C1 | H39 | sing | 1.09Å | 1.10Å | |
| C1 | H40 | sing | 1.09Å | 1.10Å | |
| C1 | H38 | sing | 1.09Å | 1.10Å | |
| C2 | H41 | sing | 1.09Å | 1.10Å | |
| C3 | H43 | sing | 1.09Å | 1.10Å | |
| C3 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | H44 | sing | 1.09Å | 1.10Å | |
| C5 | H45 | sing | 1.09Å | 1.10Å | |
| C11 | H48 | sing | 1.09Å | 1.10Å | |
| C11 | H49 | sing | 1.09Å | 1.10Å | |
| C11 | H50 | sing | 1.09Å | 1.10Å | |
| C12 | H53 | sing | 1.09Å | 1.10Å | |
| C12 | H51 | sing | 1.09Å | 1.10Å | |
| C12 | H52 | sing | 1.09Å | 1.10Å | |
| C15 | H54 | sing | 1.08Å | 1.08Å | |
| C19 | H57 | sing | 1.08Å | 1.08Å | |
| C23 | H59 | sing | 1.08Å | 1.08Å | |
| C24 | H60 | sing | 1.08Å | 1.08Å | |
| C25 | H61 | sing | 1.08Å | 1.08Å | |
| C27 | H62 | sing | 1.09Å | 1.10Å | |
| C28 | H64 | sing | 1.09Å | 1.10Å | |
| C28 | H63 | sing | 1.09Å | 1.10Å | |
| C31 | H67 | sing | 1.09Å | 1.10Å | |
| C31 | H68 | sing | 1.09Å | 1.10Å | |
| C35 | H73 | sing | 1.09Å | 1.10Å | |
| C35 | H74 | sing | 1.09Å | 1.10Å | |
| C35 | H72 | sing | 1.09Å | 1.10Å | |
| C36 | H75 | sing | 1.09Å | 1.10Å | |
| C36 | H76 | sing | 1.09Å | 1.10Å | |
| C9 | H47 | sing | 1.09Å | 1.10Å | |
| C9 | H46 | sing | 1.09Å | 1.10Å | |
| C17 | H55 | sing | 1.09Å | 1.10Å | |
| C17 | H56 | sing | 1.09Å | 1.10Å | |
| C20 | H58 | sing | 1.08Å | 1.08Å | |
| C30 | H66 | sing | 1.09Å | 1.10Å | |
| C30 | H65 | sing | 1.09Å | 1.10Å | |
| C33 | H70 | sing | 1.09Å | 1.10Å | |
| C33 | H69 | sing | 1.09Å | 1.10Å | |
| C34 | H71 | sing | 1.09Å | 1.10Å | |
| N37 | H78 | sing | 1.01Å | 1.00Å | |
| N37 | H77 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | C21 | 118.2° | 120.0° |
| C23 | C24 | C18 | 121.0° | 120.1° |
| C24 | C23 | H59 | 120.9° | 120.0° |
| C23 | C24 | H60 | 119.5° | 120.0° |
| C23 | C21 | F22 | 118.6° | 120.1° |
| C23 | C21 | C20 | 122.9° | 120.0° |
| C21 | C23 | H59 | 120.9° | 120.0° |
| C24 | C18 | C17 | 120.8° | 120.0° |
| C24 | C18 | C19 | 118.4° | 120.0° |
| C18 | C24 | H60 | 119.5° | 119.9° |
| C15 | N14 | C13 | 118.5° | 122.0° |
| N14 | C15 | C16 | 124.5° | 120.7° |
| N14 | C15 | H54 | 117.7° | 119.7° |
| N14 | C13 | C10 | 128.2° | 130.7° |
| N14 | C13 | C26 | 121.5° | 120.9° |
| C15 | C16 | C17 | 121.5° | 120.4° |
| C15 | C16 | C25 | 117.1° | 119.3° |
| C16 | C15 | H54 | 117.7° | 119.6° |
| F22 | C21 | C20 | 118.5° | 120.0° |
| C11 | C10 | C12 | 109.1° | 110.3° |
| C11 | C10 | C13 | 111.9° | 110.4° |
| C11 | C10 | C9 | 109.7° | 110.4° |
| C10 | C11 | H48 | 109.5° | 109.5° |
| C10 | C11 | H49 | 109.5° | 109.5° |
| C10 | C11 | H50 | 109.4° | 109.4° |
| C12 | C10 | C13 | 112.1° | 110.5° |
| C12 | C10 | C9 | 110.9° | 110.4° |
| C10 | C12 | H53 | 109.5° | 109.5° |
| C10 | C12 | H51 | 109.5° | 109.5° |
| C10 | C12 | H52 | 109.5° | 109.5° |
| C21 | C20 | C19 | 118.3° | 119.9° |
| C21 | C20 | H58 | 120.8° | 120.1° |
| C10 | C13 | C26 | 110.3° | 108.4° |
| C13 | C10 | C9 | 103.0° | 104.7° |
| C13 | C26 | C25 | 118.8° | 118.5° |
| C13 | C26 | N8 | 109.6° | 111.8° |
| C17 | C18 | C19 | 120.8° | 120.0° |
| C18 | C17 | C16 | 112.5° | 109.5° |
| C18 | C17 | H55 | 108.7° | 109.5° |
| C18 | C17 | H56 | 108.7° | 109.5° |
| C18 | C19 | C20 | 121.2° | 120.0° |
| C18 | C19 | H57 | 119.4° | 120.0° |
| C10 | C9 | N8 | 104.2° | 105.2° |
| C10 | C9 | H47 | 110.8° | 110.3° |
| C10 | C9 | H46 | 110.8° | 110.3° |
| C17 | C16 | C25 | 121.4° | 120.4° |
| C16 | C17 | H55 | 108.7° | 109.5° |
| C16 | C17 | H56 | 108.7° | 109.4° |
| C16 | C25 | C26 | 119.6° | 118.7° |
| C16 | C25 | H61 | 120.2° | 120.7° |
| C20 | C19 | H57 | 119.4° | 120.0° |
| C19 | C20 | H58 | 120.9° | 120.0° |
| C25 | C26 | N8 | 131.6° | 129.7° |
| C26 | C25 | H61 | 120.2° | 120.7° |
| C26 | N8 | C9 | 109.4° | 110.0° |
| C26 | N8 | C6 | 126.6° | 125.0° |
| C9 | N8 | C6 | 120.2° | 125.0° |
| N8 | C9 | H47 | 110.8° | 110.3° |
| N8 | C9 | H46 | 110.8° | 110.3° |
| N8 | C6 | O7 | 122.1° | 120.0° |
| N8 | C6 | C5 | 116.4° | 120.0° |
| O32 | C33 | C34 | 114.7° | 109.2° |
| C33 | O32 | C31 | 109.5° | 113.8° |
| O32 | C33 | H70 | 108.2° | 109.5° |
| O32 | C33 | H69 | 108.1° | 109.5° |
| C33 | C34 | C35 | 110.9° | 109.5° |
| C33 | C34 | N29 | 108.2° | 109.3° |
| C34 | C33 | H70 | 108.2° | 109.5° |
| C34 | C33 | H69 | 108.2° | 109.5° |
| C33 | C34 | H71 | 107.9° | 109.5° |
| O32 | C31 | C30 | 111.1° | 109.2° |
| O32 | C31 | H67 | 109.1° | 109.5° |
| O32 | C31 | H68 | 109.0° | 109.5° |
| O7 | C6 | C5 | 121.6° | 120.1° |
| C6 | C5 | N4 | 115.8° | 109.5° |
| C6 | C5 | H44 | 107.9° | 109.5° |
| C6 | C5 | H45 | 107.9° | 109.5° |
| C31 | C30 | N29 | 109.1° | 109.3° |
| C30 | C31 | H67 | 109.1° | 109.5° |
| C30 | C31 | H68 | 109.1° | 109.5° |
| C31 | C30 | H66 | 109.6° | 109.5° |
| C31 | C30 | H65 | 109.5° | 109.6° |
| C35 | C34 | N29 | 113.4° | 109.5° |
| C34 | C35 | H73 | 109.5° | 109.5° |
| C34 | C35 | H74 | 109.4° | 109.5° |
| C34 | C35 | H72 | 109.5° | 109.5° |
| C35 | C34 | H71 | 107.9° | 109.5° |
| C34 | N29 | C30 | 108.8° | 110.7° |
| C34 | N29 | C28 | 114.8° | 111.0° |
| N29 | C34 | H71 | 108.4° | 109.6° |
| C5 | N4 | C3 | 110.2° | 111.0° |
| C5 | N4 | C27 | 119.0° | 111.0° |
| N4 | C5 | H44 | 107.9° | 109.4° |
| N4 | C5 | H45 | 107.9° | 109.5° |
| C30 | N29 | C28 | 112.8° | 111.0° |
| N29 | C30 | H66 | 109.6° | 109.5° |
| N29 | C30 | H65 | 109.6° | 109.5° |
| N29 | C28 | C27 | 113.9° | 109.5° |
| N29 | C28 | H64 | 108.3° | 109.4° |
| N29 | C28 | H63 | 108.4° | 109.4° |
| C3 | N4 | C27 | 111.5° | 110.8° |
| N4 | C3 | C2 | 111.9° | 109.3° |
| N4 | C3 | H43 | 108.8° | 109.5° |
| N4 | C3 | H42 | 108.8° | 109.5° |
| N4 | C27 | C28 | 117.3° | 109.5° |
| N4 | C27 | C36 | 107.2° | 109.3° |
| N4 | C27 | H62 | 108.1° | 109.5° |
| C28 | C27 | C36 | 108.9° | 109.5° |
| C28 | C27 | H62 | 107.4° | 109.5° |
| C27 | C28 | H64 | 108.3° | 109.5° |
| C27 | C28 | H63 | 108.3° | 109.5° |
| C3 | C2 | C1 | 111.8° | 109.5° |
| C3 | C2 | N37 | 109.3° | 109.5° |
| C3 | C2 | H41 | 108.6° | 109.5° |
| C2 | C3 | H43 | 108.9° | 109.5° |
| C2 | C3 | H42 | 108.8° | 109.5° |
| C27 | C36 | N37 | 110.7° | 109.5° |
| C36 | C27 | H62 | 107.7° | 109.5° |
| C27 | C36 | H75 | 109.1° | 109.4° |
| C27 | C36 | H76 | 109.2° | 109.4° |
| C1 | C2 | N37 | 109.6° | 109.5° |
| C2 | C1 | H39 | 109.5° | 109.5° |
| C2 | C1 | H40 | 109.5° | 109.5° |
| C2 | C1 | H38 | 109.5° | 109.5° |
| C1 | C2 | H41 | 108.8° | 109.5° |
| C2 | N37 | C36 | 110.8° | 109.6° |
| N37 | C2 | H41 | 108.8° | 109.5° |
| C2 | N37 | H78 | 109.1° | 109.5° |
| C2 | N37 | H77 | 109.1° | 109.4° |
| N37 | C36 | H75 | 109.2° | 109.5° |
| N37 | C36 | H76 | 109.1° | 109.5° |
| C36 | N37 | H78 | 109.1° | 109.4° |
| C36 | N37 | H77 | 109.1° | 109.4° |
| H39 | C1 | H40 | 109.4° | 109.5° |
| H39 | C1 | H38 | 109.5° | 109.5° |
| H40 | C1 | H38 | 109.4° | 109.5° |
| H43 | C3 | H42 | 109.5° | 109.5° |
| H44 | C5 | H45 | 109.5° | 109.5° |
| H48 | C11 | H49 | 109.5° | 109.5° |
| H48 | C11 | H50 | 109.5° | 109.5° |
| H49 | C11 | H50 | 109.5° | 109.5° |
| H53 | C12 | H51 | 109.5° | 109.5° |
| H53 | C12 | H52 | 109.5° | 109.4° |
| H51 | C12 | H52 | 109.5° | 109.4° |
| H64 | C28 | H63 | 109.5° | 109.5° |
| H67 | C31 | H68 | 109.5° | 109.5° |
| H73 | C35 | H74 | 109.5° | 109.5° |
| H73 | C35 | H72 | 109.5° | 109.5° |
| H74 | C35 | H72 | 109.5° | 109.4° |
| H75 | C36 | H76 | 109.5° | 109.5° |
| H47 | C9 | H46 | 109.4° | 110.4° |
| H55 | C17 | H56 | 109.5° | 109.4° |
| H66 | C30 | H65 | 109.4° | 109.6° |
| H70 | C33 | H69 | 109.5° | 109.6° |
| H78 | N37 | H77 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | C21 | H59 | 180.0° | 179.7° |
| C23 | C24 | C18 | H60 | 180.0° | 179.7° |
| C24 | C23 | C21 | F22 | 179.8° | 179.7° |
| C24 | C23 | C21 | C20 | 0.1° | 0.3° |
| C23 | C24 | C18 | C17 | 179.3° | 180.0° |
| C23 | C24 | C18 | C19 | 0.1° | 0.0° |
| C21 | C23 | C24 | C18 | 0.3° | 0.3° |
| C23 | C21 | F22 | C20 | 179.7° | 179.9° |
| C23 | C21 | C20 | C19 | 0.6° | 0.0° |
| C21 | C23 | C24 | H60 | 179.7° | 179.9° |
| C23 | C21 | C20 | H58 | 179.4° | 180.0° |
| C24 | C18 | C17 | C19 | 179.4° | 180.0° |
| C24 | C18 | C17 | C16 | 97.5° | 94.9° |
| C24 | C18 | C19 | C20 | 0.5° | 0.3° |
| C24 | C18 | C19 | H57 | 179.5° | 180.0° |
| C18 | C24 | C23 | H59 | 179.7° | 180.0° |
| C24 | C18 | C17 | H55 | 142.0° | 25.1° |
| C24 | C18 | C17 | H56 | 22.9° | 145.1° |
| N14 | C15 | C16 | H54 | 180.0° | 179.9° |
| C15 | N14 | C13 | C10 | 179.7° | 180.0° |
| C15 | N14 | C13 | C26 | 0.4° | 0.1° |
| N14 | C15 | C16 | C17 | 179.3° | 180.0° |
| N14 | C15 | C16 | C25 | 0.1° | 0.1° |
| C13 | N14 | C15 | C16 | 0.5° | 0.1° |
| N14 | C13 | C10 | C11 | 74.6° | 61.1° |
| N14 | C13 | C10 | C12 | 48.4° | 61.2° |
| N14 | C13 | C10 | C26 | 179.9° | 179.9° |
| N14 | C13 | C10 | C9 | 167.6° | 179.9° |
| N14 | C13 | C26 | C25 | 0.5° | 0.1° |
| N14 | C13 | C26 | N8 | 178.6° | 179.9° |
| C13 | N14 | C15 | H54 | 179.5° | 180.0° |
| C15 | C16 | C17 | C18 | 89.9° | 85.0° |
| C15 | C16 | C17 | C25 | 179.1° | 180.0° |
| C15 | C16 | C25 | C26 | 1.0° | 0.1° |
| C15 | C16 | C25 | H61 | 179.0° | 180.0° |
| C15 | C16 | C17 | H55 | 149.7° | 154.9° |
| C15 | C16 | C17 | H56 | 30.6° | 35.0° |
| F22 | C21 | C20 | C19 | 179.7° | 180.0° |
| F22 | C21 | C23 | H59 | 0.2° | 0.1° |
| F22 | C21 | C20 | H58 | 0.3° | 0.0° |
| C11 | C10 | C12 | C13 | 124.5° | 122.4° |
| C11 | C10 | C12 | C9 | 121.0° | 122.4° |
| C11 | C10 | C13 | C9 | 117.8° | 118.9° |
| C11 | C10 | C13 | C26 | 105.3° | 118.8° |
| C11 | C10 | C9 | N8 | 101.2° | 118.8° |
| C10 | C11 | H48 | H49 | 120.0° | 120.0° |
| C10 | C11 | H48 | H50 | 120.0° | 119.9° |
| C10 | C11 | H49 | H50 | 120.0° | 120.0° |
| C11 | C10 | C12 | H53 | 180.0° | 177.7° |
| C11 | C10 | C12 | H51 | 60.0° | 57.6° |
| C11 | C10 | C12 | H52 | 60.0° | 62.4° |
| C11 | C10 | C9 | H47 | 139.7° | 122.2° |
| C11 | C10 | C9 | H46 | 18.0° | 0.1° |
| C12 | C10 | C13 | C9 | 119.3° | 118.8° |
| C12 | C10 | C13 | C26 | 131.8° | 118.9° |
| C12 | C10 | C9 | N8 | 138.2° | 118.9° |
| C12 | C10 | C11 | H48 | 180.0° | 62.4° |
| C12 | C10 | C11 | H49 | 60.0° | 57.6° |
| C12 | C10 | C11 | H50 | 60.0° | 177.6° |
| C10 | C12 | H53 | H51 | 120.0° | 120.1° |
| C10 | C12 | H53 | H52 | 120.0° | 120.0° |
| C10 | C12 | H51 | H52 | 120.0° | 120.0° |
| C12 | C10 | C9 | H47 | 19.0° | 0.1° |
| C12 | C10 | C9 | H46 | 102.7° | 122.2° |
| C21 | C20 | C19 | C18 | 0.8° | 0.2° |
| C21 | C20 | C19 | H58 | 180.0° | 180.0° |
| C21 | C20 | C19 | H57 | 179.2° | 180.0° |
| C20 | C21 | C23 | H59 | 179.9° | 180.0° |
| C10 | C13 | C26 | C25 | 179.4° | 180.0° |
| C10 | C13 | C26 | N8 | 1.5° | 0.0° |
| C13 | C10 | C9 | N8 | 18.1° | 0.1° |
| C13 | C10 | C11 | H48 | 55.4° | 175.2° |
| C13 | C10 | C11 | H49 | 175.4° | 64.8° |
| C13 | C10 | C11 | H50 | 64.6° | 55.2° |
| C13 | C10 | C12 | H53 | 55.5° | 55.3° |
| C13 | C10 | C12 | H51 | 64.5° | 64.7° |
| C13 | C10 | C12 | H52 | 175.5° | 175.3° |
| C13 | C10 | C9 | H47 | 101.0° | 118.9° |
| C13 | C10 | C9 | H46 | 137.3° | 118.9° |
| C26 | C13 | C10 | C9 | 12.5° | 0.0° |
| C13 | C26 | C25 | C16 | 1.1° | 0.1° |
| C13 | C26 | C25 | N8 | 178.8° | 180.0° |
| C13 | C26 | N8 | C9 | 11.1° | 0.0° |
| C13 | C26 | N8 | C6 | 168.8° | 180.0° |
| C13 | C26 | C25 | H61 | 178.9° | 180.0° |
| C18 | C17 | C16 | H55 | 120.5° | 120.1° |
| C18 | C17 | C16 | H56 | 120.5° | 120.0° |
| C18 | C17 | C16 | C25 | 89.3° | 94.9° |
| C17 | C18 | C19 | C20 | 179.9° | 179.8° |
| C17 | C18 | C19 | H57 | 0.1° | 0.0° |
| C17 | C18 | C24 | H60 | 0.7° | 0.2° |
| C18 | C17 | H55 | H56 | 118.6° | 120.0° |
| C19 | C18 | C17 | C16 | 83.1° | 85.1° |
| C18 | C19 | C20 | H57 | 180.0° | 179.8° |
| C19 | C18 | C24 | H60 | 179.9° | 179.8° |
| C19 | C18 | C17 | H55 | 37.4° | 154.9° |
| C19 | C18 | C17 | H56 | 156.5° | 34.9° |
| C18 | C19 | C20 | H58 | 179.2° | 179.8° |
| C10 | C9 | N8 | C26 | 18.4° | 0.0° |
| C10 | C9 | N8 | H47 | 119.2° | 118.9° |
| C10 | C9 | N8 | H46 | 119.2° | 118.9° |
| C10 | C9 | N8 | C6 | 177.7° | 180.0° |
| C9 | C10 | C11 | H48 | 58.3° | 60.0° |
| C9 | C10 | C11 | H49 | 61.7° | 180.0° |
| C9 | C10 | C11 | H50 | 178.3° | 60.0° |
| C9 | C10 | C12 | H53 | 59.0° | 60.0° |
| C9 | C10 | C12 | H51 | 179.0° | 180.0° |
| C9 | C10 | C12 | H52 | 61.0° | 60.0° |
| C10 | C9 | H47 | H46 | 122.5° | 122.1° |
| C17 | C16 | C25 | C26 | 179.8° | 179.9° |
| C17 | C16 | C15 | H54 | 0.7° | 0.0° |
| C17 | C16 | C25 | H61 | 0.2° | 0.1° |
| C16 | C17 | H55 | H56 | 118.6° | 119.9° |
| C16 | C25 | C26 | H61 | 180.0° | 179.9° |
| C16 | C25 | C26 | N8 | 177.7° | 179.9° |
| C25 | C16 | C15 | H54 | 179.8° | 180.0° |
| C25 | C16 | C17 | H55 | 31.2° | 25.1° |
| C25 | C16 | C17 | H56 | 150.3° | 145.1° |
| C25 | C26 | N8 | C9 | 167.8° | 180.0° |
| C25 | C26 | N8 | C6 | 10.1° | 0.0° |
| C26 | N8 | C9 | C6 | 159.3° | 179.9° |
| C26 | N8 | C6 | O7 | 13.8° | 175.4° |
| C26 | N8 | C6 | C5 | 166.4° | 4.7° |
| N8 | C26 | C25 | H61 | 2.3° | 0.1° |
| C26 | N8 | C9 | H47 | 100.8° | 118.9° |
| C26 | N8 | C9 | H46 | 137.6° | 118.9° |
| C9 | N8 | C6 | O7 | 169.3° | 4.7° |
| C9 | N8 | C6 | C5 | 10.9° | 175.3° |
| N8 | C9 | H47 | H46 | 122.4° | 122.1° |
| N8 | C6 | O7 | C5 | 179.8° | 180.0° |
| N8 | C6 | C5 | N4 | 177.6° | 167.6° |
| N8 | C6 | C5 | H44 | 56.7° | 47.6° |
| N8 | C6 | C5 | H45 | 61.5° | 72.4° |
| C6 | N8 | C9 | H47 | 58.6° | 61.1° |
| C6 | N8 | C9 | H46 | 63.1° | 61.1° |
| O32 | C33 | C34 | H70 | 120.8° | 119.9° |
| O32 | C33 | C34 | H69 | 120.8° | 119.9° |
| C33 | O32 | C31 | C30 | 57.2° | 58.7° |
| O32 | C33 | C34 | C35 | 180.0° | 176.7° |
| O32 | C33 | C34 | N29 | 55.0° | 56.9° |
| C33 | O32 | C31 | H67 | 63.1° | 178.6° |
| C33 | O32 | C31 | H68 | 177.4° | 61.3° |
| O32 | C33 | H70 | H69 | 117.6° | 120.1° |
| O32 | C33 | C34 | H71 | 62.1° | 63.2° |
| C34 | C33 | O32 | C31 | 54.9° | 58.7° |
| C33 | C34 | C35 | N29 | 122.0° | 119.7° |
| C33 | C34 | C35 | H71 | 118.0° | 120.1° |
| C33 | C34 | N29 | H71 | 116.8° | 120.0° |
| C33 | C34 | N29 | C30 | 56.8° | 58.7° |
| C33 | C34 | N29 | C28 | 175.6° | 177.6° |
| C33 | C34 | C35 | H73 | 180.0° | 60.0° |
| C33 | C34 | C35 | H74 | 60.0° | 180.0° |
| C33 | C34 | C35 | H72 | 60.0° | 60.1° |
| C34 | C33 | H70 | H69 | 117.6° | 120.1° |
| O32 | C31 | C30 | H67 | 120.2° | 119.9° |
| O32 | C31 | C30 | H68 | 120.2° | 119.9° |
| O32 | C31 | C30 | N29 | 62.2° | 56.8° |
| O32 | C31 | H67 | H68 | 119.2° | 120.1° |
| O32 | C31 | C30 | H66 | 177.8° | 176.7° |
| O32 | C31 | C30 | H65 | 57.8° | 63.1° |
| C31 | O32 | C33 | H70 | 175.7° | 178.6° |
| C31 | O32 | C33 | H69 | 65.9° | 61.2° |
| O7 | C6 | C5 | N4 | 2.5° | 12.4° |
| O7 | C6 | C5 | H44 | 123.5° | 132.3° |
| O7 | C6 | C5 | H45 | 118.4° | 107.6° |
| C6 | C5 | N4 | H44 | 120.9° | 120.0° |
| C6 | C5 | N4 | H45 | 120.9° | 120.0° |
| C6 | C5 | N4 | C3 | 65.4° | 56.1° |
| C6 | C5 | N4 | C27 | 65.2° | 67.6° |
| C6 | C5 | H44 | H45 | 117.1° | 120.1° |
| C31 | C30 | N29 | C34 | 61.6° | 58.7° |
| C31 | C30 | N29 | H66 | 120.0° | 119.9° |
| C31 | C30 | N29 | H65 | 119.9° | 120.0° |
| C31 | C30 | N29 | C28 | 169.7° | 177.6° |
| C30 | C31 | H67 | H68 | 119.3° | 120.1° |
| C31 | C30 | H66 | H65 | 120.1° | 120.2° |
| C35 | C34 | N29 | H71 | 119.7° | 120.2° |
| C35 | C34 | N29 | C30 | 179.7° | 178.5° |
| C35 | C34 | N29 | C28 | 52.1° | 57.7° |
| C34 | C35 | H73 | H74 | 120.0° | 120.0° |
| C34 | C35 | H73 | H72 | 120.0° | 120.1° |
| C34 | C35 | H74 | H72 | 120.0° | 120.0° |
| C35 | C34 | C33 | H70 | 59.2° | 63.3° |
| C35 | C34 | C33 | H69 | 59.2° | 56.9° |
| C34 | N29 | C30 | C28 | 128.7° | 123.8° |
| C34 | N29 | C28 | C27 | 162.4° | 159.9° |
| C34 | N29 | C28 | H64 | 77.0° | 39.9° |
| C34 | N29 | C28 | H63 | 41.7° | 80.1° |
| N29 | C34 | C35 | H73 | 58.0° | 59.7° |
| N29 | C34 | C35 | H74 | 178.0° | 60.3° |
| N29 | C34 | C35 | H72 | 62.0° | 179.8° |
| C34 | N29 | C30 | H66 | 178.4° | 178.6° |
| C34 | N29 | C30 | H65 | 58.4° | 61.3° |
| N29 | C34 | C33 | H70 | 175.8° | 176.8° |
| N29 | C34 | C33 | H69 | 65.8° | 63.0° |
| C5 | N4 | C3 | C27 | 134.5° | 123.8° |
| C5 | N4 | C27 | C28 | 46.9° | 57.7° |
| C5 | N4 | C3 | C2 | 166.7° | 177.6° |
| C5 | N4 | C27 | C36 | 169.6° | 177.6° |
| C5 | N4 | C3 | H43 | 46.4° | 62.4° |
| C5 | N4 | C3 | H42 | 72.9° | 57.6° |
| N4 | C5 | H44 | H45 | 117.1° | 120.0° |
| C5 | N4 | C27 | H62 | 74.6° | 62.5° |
| C30 | N29 | C28 | C27 | 72.1° | 76.5° |
| C30 | N29 | C28 | H64 | 48.5° | 163.5° |
| C30 | N29 | C28 | H63 | 167.2° | 43.5° |
| N29 | C30 | C31 | H67 | 58.0° | 176.8° |
| N29 | C30 | C31 | H68 | 177.6° | 63.1° |
| N29 | C30 | H66 | H65 | 120.2° | 120.1° |
| C30 | N29 | C34 | H71 | 60.0° | 61.3° |
| N29 | C28 | C27 | N4 | 78.8° | 73.2° |
| N29 | C28 | C27 | H64 | 120.6° | 120.0° |
| N29 | C28 | C27 | H63 | 120.7° | 120.0° |
| N29 | C28 | C27 | C36 | 159.4° | 167.0° |
| N29 | C28 | C27 | H62 | 43.1° | 46.9° |
| N29 | C28 | H64 | H63 | 118.0° | 120.0° |
| C28 | N29 | C30 | H66 | 49.7° | 57.7° |
| C28 | N29 | C30 | H65 | 70.3° | 62.4° |
| C28 | N29 | C34 | H71 | 67.6° | 62.4° |
| C3 | N4 | C27 | C28 | 177.0° | 178.5° |
| N4 | C3 | C2 | H43 | 120.4° | 120.0° |
| N4 | C3 | C2 | H42 | 120.3° | 120.0° |
| C3 | N4 | C27 | C36 | 60.3° | 58.6° |
| N4 | C3 | C2 | C1 | 175.5° | 179.2° |
| N4 | C3 | C2 | N37 | 54.0° | 59.2° |
| N4 | C3 | C2 | H41 | 64.5° | 60.8° |
| N4 | C3 | H43 | H42 | 118.8° | 120.0° |
| C3 | N4 | C5 | H44 | 173.7° | 63.9° |
| C3 | N4 | C5 | H45 | 55.5° | 176.1° |
| C3 | N4 | C27 | H62 | 55.5° | 61.4° |
| N4 | C27 | C28 | C36 | 121.8° | 119.8° |
| N4 | C27 | C28 | H62 | 121.9° | 120.1° |
| C27 | N4 | C3 | C2 | 58.7° | 58.6° |
| N4 | C27 | C36 | H62 | 116.1° | 119.9° |
| N4 | C27 | C36 | N37 | 60.8° | 59.2° |
| C27 | N4 | C3 | H43 | 179.1° | 61.4° |
| C27 | N4 | C3 | H42 | 61.6° | 178.6° |
| C27 | N4 | C5 | H44 | 55.7° | 172.4° |
| C27 | N4 | C5 | H45 | 173.8° | 52.4° |
| N4 | C27 | C28 | H64 | 160.6° | 46.8° |
| N4 | C27 | C28 | H63 | 41.9° | 166.9° |
| N4 | C27 | C36 | H75 | 179.0° | 179.2° |
| N4 | C27 | C36 | H76 | 59.4° | 60.8° |
| C28 | C27 | C36 | H62 | 116.1° | 120.1° |
| C28 | C27 | C36 | N37 | 171.4° | 179.1° |
| C27 | C28 | H64 | H63 | 117.9° | 120.0° |
| C28 | C27 | C36 | H75 | 51.2° | 60.9° |
| C28 | C27 | C36 | H76 | 68.4° | 59.1° |
| C3 | C2 | C1 | N37 | 121.3° | 120.0° |
| C3 | C2 | C1 | H41 | 119.9° | 120.0° |
| C3 | C2 | N37 | H41 | 118.4° | 120.0° |
| C3 | C2 | N37 | C36 | 54.4° | 60.7° |
| C3 | C2 | C1 | H39 | 180.0° | 180.0° |
| C3 | C2 | C1 | H40 | 60.0° | 60.0° |
| C3 | C2 | C1 | H38 | 60.0° | 60.0° |
| C2 | C3 | H43 | H42 | 118.9° | 120.1° |
| C3 | C2 | N37 | H78 | 174.6° | 179.2° |
| C3 | C2 | N37 | H77 | 65.8° | 59.3° |
| C27 | C36 | N37 | C2 | 59.6° | 60.7° |
| C27 | C36 | N37 | H75 | 120.2° | 120.0° |
| C27 | C36 | N37 | H76 | 120.2° | 120.0° |
| C36 | C27 | C28 | H64 | 38.8° | 73.0° |
| C36 | C27 | C28 | H63 | 79.9° | 47.0° |
| C27 | C36 | H75 | H76 | 119.4° | 120.0° |
| C27 | C36 | N37 | H78 | 179.8° | 179.2° |
| C27 | C36 | N37 | H77 | 60.6° | 59.3° |
| C1 | C2 | N37 | H41 | 118.8° | 120.0° |
| C1 | C2 | N37 | C36 | 177.2° | 179.3° |
| C2 | C1 | H39 | H40 | 120.0° | 120.0° |
| C2 | C1 | H39 | H38 | 120.0° | 120.0° |
| C2 | C1 | H40 | H38 | 120.0° | 120.0° |
| C1 | C2 | C3 | H43 | 64.2° | 59.3° |
| C1 | C2 | C3 | H42 | 55.1° | 60.8° |
| C1 | C2 | N37 | H78 | 62.6° | 59.2° |
| C1 | C2 | N37 | H77 | 57.0° | 60.7° |
| C2 | N37 | C36 | H78 | 120.2° | 120.1° |
| C2 | N37 | C36 | H77 | 120.2° | 120.0° |
| N37 | C2 | C1 | H39 | 58.7° | 60.0° |
| N37 | C2 | C1 | H40 | 178.8° | 180.0° |
| N37 | C2 | C1 | H38 | 61.3° | 60.0° |
| N37 | C2 | C3 | H43 | 174.4° | 60.8° |
| N37 | C2 | C3 | H42 | 66.3° | 179.2° |
| C2 | N37 | C36 | H75 | 179.7° | 179.3° |
| C2 | N37 | C36 | H76 | 60.7° | 59.2° |
| C2 | N37 | H78 | H77 | 119.4° | 120.0° |
| C36 | N37 | C2 | H41 | 64.0° | 59.3° |
| N37 | C36 | C27 | H62 | 55.3° | 60.8° |
| N37 | C36 | H75 | H76 | 119.4° | 120.0° |
| C36 | N37 | H78 | H77 | 119.4° | 119.9° |
| H39 | C1 | H40 | H38 | 120.0° | 120.0° |
| H39 | C1 | C2 | H41 | 60.1° | 60.0° |
| H40 | C1 | C2 | H41 | 59.9° | 60.0° |
| H38 | C1 | C2 | H41 | 179.9° | 180.0° |
| H41 | C2 | C3 | H43 | 55.9° | 179.2° |
| H41 | C2 | C3 | H42 | 175.2° | 59.2° |
| H41 | C2 | N37 | H78 | 56.2° | 60.8° |
| H41 | C2 | N37 | H77 | 175.8° | 179.3° |
| H48 | C11 | H49 | H50 | 120.0° | 120.0° |
| H53 | C12 | H51 | H52 | 120.0° | 120.0° |
| H57 | C19 | C20 | H58 | 0.8° | 0.0° |
| H59 | C23 | C24 | H60 | 0.3° | 0.3° |
| H62 | C27 | C28 | H64 | 77.5° | 166.9° |
| H62 | C27 | C28 | H63 | 163.8° | 73.0° |
| H62 | C27 | C36 | H75 | 64.9° | 59.2° |
| H62 | C27 | C36 | H76 | 175.5° | 179.3° |
| H67 | C31 | C30 | H66 | 61.9° | 63.3° |
| H67 | C31 | C30 | H65 | 178.0° | 56.8° |
| H68 | C31 | C30 | H66 | 57.6° | 56.8° |
| H68 | C31 | C30 | H65 | 62.4° | 177.0° |
| H73 | C35 | H74 | H72 | 120.0° | 120.0° |
| H73 | C35 | C34 | H71 | 62.0° | 179.9° |
| H74 | C35 | C34 | H71 | 58.0° | 59.9° |
| H72 | C35 | C34 | H71 | 178.0° | 60.0° |
| H75 | C36 | N37 | H78 | 60.0° | 59.2° |
| H75 | C36 | N37 | H77 | 59.5° | 60.7° |
| H76 | C36 | N37 | H78 | 59.6° | 60.9° |
| H76 | C36 | N37 | H77 | 179.2° | 179.3° |
| H70 | C33 | C34 | H71 | 58.7° | 56.8° |
| H69 | C33 | C34 | H71 | 177.2° | 177.0° |
