H82
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C14 | sing | 1.54Å | 1.54Å | |
| C21 | C39 | sing | 1.51Å | 1.51Å | |
| C14 | C19 | sing | 1.51Å | 1.51Å | |
| C39 | O40 | doub | 1.21Å | 1.22Å | |
| C39 | C20 | sing | 1.47Å | 1.48Å | |
| C19 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C15 | sing | 1.41Å | 1.41Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| F12 | C9 | sing | 1.40Å | 1.34Å | |
| C15 | O13 | sing | 1.36Å | 1.40Å | |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| O13 | C5 | sing | 1.36Å | 1.37Å | |
| C9 | F11 | sing | 1.40Å | 1.33Å | |
| C9 | F10 | sing | 1.40Å | 1.32Å | |
| C9 | C6 | sing | 1.51Å | 1.50Å | |
| C5 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | N4 | sing | 1.33Å | 1.32Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| N4 | C3 | doub | 1.32Å | 1.35Å | Aromatic |
| C26 | C1 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C1 | N22 | sing | 1.47Å | 1.50Å | |
| C7 | N8 | doub | 1.32Å | 1.34Å | Aromatic |
| C34 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C33 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | N8 | sing | 1.33Å | 1.34Å | Aromatic |
| C3 | N2 | sing | 1.39Å | 1.36Å | |
| N22 | C28 | sing | 1.47Å | 1.49Å | |
| N22 | C23 | sing | 1.47Å | 1.49Å | |
| N27 | C25 | sing | 1.47Å | 1.46Å | |
| N27 | C37 | sing | 1.35Å | 1.34Å | |
| N2 | C33 | sing | 1.39Å | 1.41Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C33 | C32 | doub | 1.40Å | 1.41Å | Aromatic |
| C30 | C37 | sing | 1.48Å | 1.50Å | |
| C30 | C31 | doub | 1.40Å | 1.39Å | Aromatic |
| C37 | O38 | doub | 1.22Å | 1.23Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C32 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | O35 | sing | 1.36Å | 1.37Å | |
| O35 | C36 | sing | 1.43Å | 1.43Å | |
| C7 | H44 | sing | 1.08Å | 1.08Å | |
| C17 | H48 | sing | 1.08Å | 1.08Å | |
| C21 | H50 | sing | 1.09Å | 1.10Å | |
| C21 | H51 | sing | 1.09Å | 1.10Å | |
| C24 | H56 | sing | 1.09Å | 1.10Å | |
| C24 | H55 | sing | 1.09Å | 1.10Å | |
| C26 | H58 | sing | 1.09Å | 1.10Å | |
| C26 | H59 | sing | 1.09Å | 1.10Å | |
| C28 | H62 | sing | 1.09Å | 1.10Å | |
| C28 | H63 | sing | 1.09Å | 1.10Å | |
| C28 | H61 | sing | 1.09Å | 1.10Å | |
| C1 | H42 | sing | 1.09Å | 1.10Å | |
| C1 | H41 | sing | 1.09Å | 1.10Å | |
| N2 | H43 | sing | 0.97Å | 1.00Å | |
| C14 | H46 | sing | 1.09Å | 1.10Å | |
| C14 | H45 | sing | 1.09Å | 1.10Å | |
| C16 | H47 | sing | 1.08Å | 1.08Å | |
| C18 | H49 | sing | 1.08Å | 1.08Å | |
| N22 | H52 | sing | 1.01Å | 1.00Å | |
| C23 | H53 | sing | 1.09Å | 1.10Å | |
| C23 | H54 | sing | 1.09Å | 1.10Å | |
| C25 | H57 | sing | 1.09Å | 1.10Å | |
| N27 | H60 | sing | 0.97Å | 1.00Å | |
| C29 | H64 | sing | 1.08Å | 1.08Å | |
| C31 | H65 | sing | 1.08Å | 1.08Å | |
| C34 | H66 | sing | 1.08Å | 1.08Å | |
| C36 | H67 | sing | 1.09Å | 1.10Å | |
| C36 | H68 | sing | 1.09Å | 1.10Å | |
| C36 | H69 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C21 | C39 | 106.6° | 105.3° |
| C21 | C14 | C19 | 104.6° | 106.3° |
| C14 | C21 | H50 | 110.2° | 110.3° |
| C14 | C21 | H51 | 110.2° | 110.3° |
| C21 | C14 | H46 | 110.7° | 110.0° |
| C21 | C14 | H45 | 110.7° | 110.1° |
| C21 | C39 | O40 | 125.4° | 125.9° |
| C21 | C39 | C20 | 107.7° | 108.2° |
| C39 | C21 | H50 | 110.2° | 110.3° |
| C39 | C21 | H51 | 110.2° | 110.3° |
| C14 | C19 | C20 | 111.6° | 109.6° |
| C14 | C19 | C18 | 128.5° | 130.5° |
| C19 | C14 | H46 | 110.7° | 110.2° |
| C19 | C14 | H45 | 110.7° | 110.1° |
| O40 | C39 | C20 | 126.9° | 125.9° |
| C39 | C20 | C19 | 109.5° | 110.7° |
| C39 | C20 | C15 | 131.8° | 130.0° |
| C20 | C19 | C18 | 119.9° | 119.9° |
| C19 | C20 | C15 | 118.7° | 119.3° |
| C19 | C18 | C17 | 120.6° | 120.5° |
| C19 | C18 | H49 | 119.7° | 119.8° |
| C20 | C15 | O13 | 115.9° | 120.0° |
| C20 | C15 | C16 | 121.1° | 119.9° |
| C18 | C17 | C16 | 120.4° | 120.3° |
| C18 | C17 | H48 | 119.8° | 119.8° |
| C17 | C18 | H49 | 119.7° | 119.7° |
| F12 | C9 | F11 | 106.7° | 109.5° |
| F12 | C9 | F10 | 106.1° | 109.5° |
| F12 | C9 | C6 | 112.4° | 109.5° |
| O13 | C15 | C16 | 122.9° | 120.1° |
| C15 | O13 | C5 | 121.2° | 118.0° |
| C15 | C16 | C17 | 119.2° | 120.1° |
| C15 | C16 | H47 | 120.4° | 120.0° |
| C16 | C17 | H48 | 119.8° | 119.8° |
| C17 | C16 | H47 | 120.4° | 120.0° |
| O13 | C5 | C6 | 115.1° | 120.5° |
| O13 | C5 | N4 | 120.2° | 120.4° |
| F11 | C9 | F10 | 105.7° | 109.5° |
| F11 | C9 | C6 | 112.5° | 109.5° |
| F10 | C9 | C6 | 112.9° | 109.4° |
| C9 | C6 | C5 | 125.2° | 120.8° |
| C9 | C6 | C7 | 120.8° | 120.7° |
| C6 | C5 | N4 | 124.3° | 119.1° |
| C5 | C6 | C7 | 114.0° | 118.5° |
| C5 | N4 | C3 | 115.6° | 120.6° |
| C6 | C7 | N8 | 123.9° | 119.3° |
| C6 | C7 | H44 | 118.1° | 120.4° |
| N4 | C3 | N8 | 126.4° | 121.7° |
| N4 | C3 | N2 | 117.8° | 119.2° |
| C1 | C26 | C25 | 111.0° | 109.3° |
| C26 | C1 | N22 | 110.0° | 109.6° |
| C1 | C26 | H58 | 109.1° | 109.5° |
| C1 | C26 | H59 | 109.1° | 109.5° |
| C26 | C1 | H42 | 109.3° | 109.5° |
| C26 | C1 | H41 | 109.3° | 109.5° |
| C26 | C25 | N27 | 111.1° | 109.5° |
| C26 | C25 | C24 | 110.6° | 109.1° |
| C25 | C26 | H58 | 109.1° | 109.5° |
| C25 | C26 | H59 | 109.1° | 109.5° |
| C26 | C25 | H57 | 108.0° | 109.6° |
| C1 | N22 | C28 | 111.6° | 109.5° |
| C1 | N22 | C23 | 110.4° | 109.8° |
| N22 | C1 | H42 | 109.3° | 109.4° |
| N22 | C1 | H41 | 109.4° | 109.4° |
| C1 | N22 | H52 | 107.8° | 109.5° |
| C7 | N8 | C3 | 115.8° | 120.9° |
| N8 | C7 | H44 | 118.0° | 120.3° |
| C29 | C34 | C33 | 120.2° | 120.1° |
| C34 | C29 | C30 | 120.9° | 120.0° |
| C34 | C29 | H64 | 119.5° | 120.0° |
| C29 | C34 | H66 | 119.9° | 120.0° |
| C34 | C33 | N2 | 123.1° | 120.0° |
| C34 | C33 | C32 | 119.0° | 120.1° |
| C33 | C34 | H66 | 119.9° | 119.9° |
| C29 | C30 | C37 | 121.6° | 120.0° |
| C29 | C30 | C31 | 119.6° | 119.9° |
| C30 | C29 | H64 | 119.6° | 120.0° |
| N8 | C3 | N2 | 115.6° | 119.2° |
| C3 | N2 | C33 | 130.9° | 120.0° |
| C3 | N2 | H43 | 114.5° | 120.0° |
| C28 | N22 | C23 | 111.5° | 109.4° |
| N22 | C28 | H62 | 109.5° | 109.4° |
| N22 | C28 | H63 | 109.5° | 109.5° |
| N22 | C28 | H61 | 109.4° | 109.5° |
| C28 | N22 | H52 | 107.8° | 109.4° |
| N22 | C23 | C24 | 109.9° | 109.6° |
| C23 | N22 | H52 | 107.7° | 109.3° |
| N22 | C23 | H53 | 109.4° | 109.5° |
| N22 | C23 | H54 | 109.3° | 109.4° |
| C25 | N27 | C37 | 122.5° | 120.0° |
| N27 | C25 | C24 | 110.4° | 109.5° |
| N27 | C25 | H57 | 108.7° | 109.6° |
| C25 | N27 | H60 | 118.7° | 120.0° |
| N27 | C37 | C30 | 117.6° | 120.0° |
| N27 | C37 | O38 | 122.0° | 120.0° |
| C37 | N27 | H60 | 118.8° | 120.0° |
| N2 | C33 | C32 | 118.0° | 120.0° |
| C33 | N2 | H43 | 114.5° | 120.0° |
| C25 | C24 | C23 | 110.8° | 109.3° |
| C25 | C24 | H56 | 109.1° | 109.5° |
| C25 | C24 | H55 | 109.2° | 109.5° |
| C24 | C25 | H57 | 108.0° | 109.5° |
| C33 | C32 | C31 | 120.4° | 120.0° |
| C33 | C32 | O35 | 114.4° | 120.0° |
| C37 | C30 | C31 | 118.8° | 120.1° |
| C30 | C37 | O38 | 120.4° | 120.0° |
| C30 | C31 | C32 | 119.9° | 119.9° |
| C30 | C31 | H65 | 120.0° | 120.0° |
| C23 | C24 | H56 | 109.2° | 109.5° |
| C23 | C24 | H55 | 109.1° | 109.5° |
| C24 | C23 | H53 | 109.3° | 109.4° |
| C24 | C23 | H54 | 109.4° | 109.4° |
| C31 | C32 | O35 | 125.1° | 120.0° |
| C32 | C31 | H65 | 120.0° | 120.1° |
| C32 | O35 | C36 | 118.5° | 117.0° |
| O35 | C36 | H67 | 109.5° | 109.5° |
| O35 | C36 | H68 | 109.5° | 109.5° |
| O35 | C36 | H69 | 109.5° | 109.4° |
| H50 | C21 | H51 | 109.5° | 110.3° |
| H56 | C24 | H55 | 109.4° | 109.5° |
| H58 | C26 | H59 | 109.5° | 109.6° |
| H62 | C28 | H63 | 109.5° | 109.5° |
| H62 | C28 | H61 | 109.5° | 109.5° |
| H63 | C28 | H61 | 109.5° | 109.5° |
| H42 | C1 | H41 | 109.5° | 109.4° |
| H46 | C14 | H45 | 109.5° | 110.1° |
| H53 | C23 | H54 | 109.5° | 109.4° |
| H67 | C36 | H68 | 109.5° | 109.5° |
| H67 | C36 | H69 | 109.5° | 109.5° |
| H68 | C36 | H69 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C21 | C39 | H50 | 119.5° | 118.9° |
| C14 | C21 | C39 | H51 | 119.5° | 119.0° |
| C21 | C14 | C19 | H46 | 119.2° | 119.2° |
| C21 | C14 | C19 | H45 | 119.2° | 119.2° |
| C14 | C21 | C39 | O40 | 178.6° | 180.0° |
| C14 | C21 | C39 | C20 | 1.7° | 0.0° |
| C21 | C14 | C19 | C20 | 0.5° | 0.0° |
| C21 | C14 | C19 | C18 | 179.4° | 180.0° |
| C14 | C21 | H50 | H51 | 121.4° | 122.1° |
| C21 | C14 | H46 | H45 | 122.2° | 121.5° |
| C39 | C21 | C14 | C19 | 1.3° | 0.0° |
| C21 | C39 | O40 | C20 | 179.7° | 180.0° |
| C21 | C39 | C20 | C19 | 1.4° | 0.0° |
| C21 | C39 | C20 | C15 | 178.8° | 180.0° |
| C39 | C21 | H50 | H51 | 121.3° | 122.1° |
| C39 | C21 | C14 | H46 | 118.0° | 119.2° |
| C39 | C21 | C14 | H45 | 120.5° | 119.2° |
| C14 | C19 | C20 | C39 | 0.6° | 0.0° |
| C14 | C19 | C20 | C18 | 179.8° | 180.0° |
| C14 | C19 | C20 | C15 | 179.6° | 180.0° |
| C14 | C19 | C18 | C17 | 179.3° | 179.7° |
| C19 | C14 | C21 | H50 | 118.2° | 119.0° |
| C19 | C14 | C21 | H51 | 120.8° | 119.0° |
| C19 | C14 | H46 | H45 | 122.2° | 121.6° |
| C14 | C19 | C18 | H49 | 0.7° | 0.0° |
| O40 | C39 | C20 | C19 | 178.8° | 180.0° |
| O40 | C39 | C20 | C15 | 0.9° | 0.1° |
| O40 | C39 | C21 | H50 | 61.9° | 61.1° |
| O40 | C39 | C21 | H51 | 59.0° | 61.0° |
| C39 | C20 | C19 | C15 | 179.8° | 180.0° |
| C39 | C20 | C19 | C18 | 179.6° | 180.0° |
| C39 | C20 | C15 | O13 | 0.8° | 0.0° |
| C39 | C20 | C15 | C16 | 179.5° | 179.7° |
| C20 | C39 | C21 | H50 | 117.9° | 118.9° |
| C20 | C39 | C21 | H51 | 121.2° | 119.0° |
| C20 | C19 | C18 | C17 | 0.5° | 0.2° |
| C19 | C20 | C15 | O13 | 178.9° | 180.0° |
| C19 | C20 | C15 | C16 | 0.8° | 0.3° |
| C20 | C19 | C14 | H46 | 118.8° | 119.2° |
| C20 | C19 | C14 | H45 | 119.7° | 119.2° |
| C20 | C19 | C18 | H49 | 179.5° | 180.0° |
| C18 | C19 | C20 | C15 | 0.2° | 0.0° |
| C19 | C18 | C17 | H49 | 180.0° | 179.7° |
| C19 | C18 | C17 | C16 | 0.2° | 0.3° |
| C19 | C18 | C17 | H48 | 179.8° | 179.8° |
| C18 | C19 | C14 | H46 | 61.4° | 60.8° |
| C18 | C19 | C14 | H45 | 60.2° | 60.8° |
| C20 | C15 | O13 | C16 | 179.7° | 179.7° |
| C20 | C15 | C16 | C17 | 1.5° | 0.3° |
| C20 | C15 | O13 | C5 | 119.2° | 88.5° |
| C20 | C15 | C16 | H47 | 178.5° | 179.7° |
| C18 | C17 | C16 | C15 | 1.2° | 0.0° |
| C18 | C17 | C16 | H48 | 180.0° | 180.0° |
| C18 | C17 | C16 | H47 | 178.8° | 180.0° |
| F12 | C9 | F11 | F10 | 112.7° | 120.0° |
| F12 | C9 | F11 | C6 | 123.7° | 120.0° |
| F12 | C9 | F10 | C6 | 123.5° | 120.0° |
| F12 | C9 | C6 | C5 | 66.0° | 60.0° |
| F12 | C9 | C6 | C7 | 113.1° | 120.0° |
| O13 | C15 | C16 | C17 | 178.2° | 180.0° |
| C15 | O13 | C5 | C6 | 165.1° | 174.9° |
| C15 | O13 | C5 | N4 | 7.7° | 5.3° |
| O13 | C15 | C16 | H47 | 1.8° | 0.0° |
| C15 | C16 | C17 | H47 | 180.0° | 179.9° |
| C16 | C15 | O13 | C5 | 60.5° | 91.2° |
| C15 | C16 | C17 | H48 | 178.8° | 180.0° |
| C16 | C17 | C18 | H49 | 179.8° | 180.0° |
| O13 | C5 | C6 | C9 | 8.0° | 0.3° |
| O13 | C5 | C6 | N4 | 172.5° | 179.8° |
| O13 | C5 | C6 | C7 | 171.1° | 179.7° |
| O13 | C5 | N4 | C3 | 171.9° | 179.7° |
| F11 | C9 | F10 | C6 | 123.4° | 120.0° |
| F11 | C9 | C6 | C5 | 54.4° | 180.0° |
| F11 | C9 | C6 | C7 | 126.5° | 0.1° |
| F10 | C9 | C6 | C5 | 174.0° | 60.0° |
| F10 | C9 | C6 | C7 | 7.0° | 120.1° |
| C9 | C6 | C5 | C7 | 179.1° | 180.0° |
| C9 | C6 | C5 | N4 | 179.5° | 180.0° |
| C9 | C6 | C7 | N8 | 179.1° | 180.0° |
| C9 | C6 | C7 | H44 | 0.9° | 0.0° |
| C6 | C5 | N4 | C3 | 0.2° | 0.0° |
| C5 | C6 | C7 | N8 | 1.7° | 0.0° |
| C5 | C6 | C7 | H44 | 178.3° | 180.0° |
| N4 | C5 | C6 | C7 | 1.4° | 0.0° |
| C5 | N4 | C3 | N8 | 0.9° | 0.0° |
| C5 | N4 | C3 | N2 | 174.0° | 180.0° |
| C6 | C7 | N8 | H44 | 180.0° | 180.0° |
| C6 | C7 | N8 | C3 | 0.8° | 0.1° |
| N4 | C3 | N8 | C7 | 0.6° | 0.1° |
| N4 | C3 | N8 | N2 | 175.0° | 180.0° |
| N4 | C3 | N2 | C33 | 6.6° | 173.8° |
| N4 | C3 | N2 | H43 | 173.4° | 6.2° |
| C1 | C26 | C25 | H58 | 120.2° | 119.9° |
| C1 | C26 | C25 | H59 | 120.2° | 119.9° |
| C26 | C1 | N22 | H42 | 120.1° | 120.1° |
| C26 | C1 | N22 | H41 | 120.1° | 120.0° |
| C26 | C1 | N22 | C28 | 175.5° | 176.8° |
| C26 | C1 | N22 | C23 | 60.0° | 63.2° |
| C1 | C26 | C25 | N27 | 177.6° | 176.8° |
| C1 | C26 | C25 | C24 | 54.7° | 57.0° |
| C1 | C26 | H58 | H59 | 119.3° | 120.1° |
| C26 | C1 | H42 | H41 | 119.7° | 120.0° |
| C26 | C1 | N22 | H52 | 57.4° | 56.8° |
| C1 | C26 | C25 | H57 | 63.3° | 62.9° |
| C25 | C26 | C1 | N22 | 57.1° | 60.0° |
| C26 | C25 | N27 | C24 | 123.0° | 119.6° |
| C26 | C25 | N27 | H57 | 118.7° | 120.2° |
| C26 | C25 | N27 | C37 | 134.6° | 155.0° |
| C26 | C25 | C24 | H57 | 117.9° | 119.9° |
| C26 | C25 | C24 | C23 | 55.0° | 56.9° |
| C26 | C25 | C24 | H56 | 65.2° | 176.9° |
| C26 | C25 | C24 | H55 | 175.2° | 63.0° |
| C25 | C26 | H58 | H59 | 119.3° | 120.1° |
| C25 | C26 | C1 | H42 | 63.0° | 60.0° |
| C25 | C26 | C1 | H41 | 177.2° | 180.0° |
| C26 | C25 | N27 | H60 | 45.4° | 25.0° |
| C1 | N22 | C28 | C23 | 123.9° | 120.4° |
| C1 | N22 | C28 | H52 | 118.1° | 120.0° |
| C1 | N22 | C23 | H52 | 117.4° | 120.1° |
| C1 | N22 | C23 | C24 | 60.4° | 63.1° |
| N22 | C1 | C26 | H58 | 63.2° | 59.9° |
| N22 | C1 | C26 | H59 | 177.3° | 179.9° |
| C1 | N22 | C28 | H62 | 180.0° | 60.0° |
| C1 | N22 | C28 | H63 | 60.0° | 180.0° |
| C1 | N22 | C28 | H61 | 60.0° | 59.9° |
| N22 | C1 | H42 | H41 | 119.8° | 119.8° |
| C1 | N22 | C23 | H53 | 59.7° | 176.8° |
| C1 | N22 | C23 | H54 | 179.6° | 56.9° |
| C7 | N8 | C3 | N2 | 174.4° | 180.0° |
| C29 | C34 | C33 | H66 | 180.0° | 179.6° |
| C34 | C29 | C30 | H64 | 180.0° | 179.7° |
| C29 | C34 | C33 | N2 | 178.5° | 179.7° |
| C29 | C34 | C33 | C32 | 0.8° | 0.5° |
| C34 | C29 | C30 | C37 | 177.4° | 179.8° |
| C34 | C29 | C30 | C31 | 0.6° | 0.3° |
| C33 | C34 | C29 | C30 | 0.6° | 0.5° |
| C34 | C33 | N2 | C3 | 34.9° | 25.1° |
| C34 | C33 | N2 | C32 | 179.3° | 179.7° |
| C34 | C33 | C32 | C31 | 0.9° | 0.3° |
| C34 | C33 | C32 | O35 | 177.3° | 179.8° |
| C34 | C33 | N2 | H43 | 145.1° | 154.9° |
| C33 | C34 | C29 | H64 | 179.4° | 179.8° |
| C29 | C30 | C37 | N27 | 40.0° | 0.1° |
| C29 | C30 | C37 | C31 | 178.0° | 179.9° |
| C29 | C30 | C37 | O38 | 141.2° | 180.0° |
| C29 | C30 | C31 | C32 | 0.8° | 0.1° |
| C29 | C30 | C31 | H65 | 179.2° | 180.0° |
| C30 | C29 | C34 | H66 | 179.4° | 179.9° |
| N8 | C3 | N2 | C33 | 168.8° | 6.3° |
| C3 | N8 | C7 | H44 | 179.2° | 180.0° |
| N8 | C3 | N2 | H43 | 11.2° | 173.7° |
| C3 | N2 | C33 | H43 | 180.0° | 180.0° |
| C3 | N2 | C33 | C32 | 144.4° | 154.7° |
| C28 | N22 | C23 | H52 | 118.1° | 119.8° |
| C28 | N22 | C23 | C24 | 175.1° | 176.7° |
| N22 | C28 | H62 | H63 | 120.0° | 120.0° |
| N22 | C28 | H62 | H61 | 120.0° | 120.0° |
| N22 | C28 | H63 | H61 | 120.0° | 120.1° |
| C28 | N22 | C1 | H42 | 64.4° | 63.1° |
| C28 | N22 | C1 | H41 | 55.5° | 56.7° |
| C28 | N22 | C23 | H53 | 64.8° | 56.7° |
| C28 | N22 | C23 | H54 | 55.0° | 63.3° |
| N22 | C23 | C24 | C25 | 57.8° | 60.0° |
| N22 | C23 | C24 | H53 | 120.1° | 120.1° |
| N22 | C23 | C24 | H54 | 120.1° | 120.0° |
| N22 | C23 | C24 | H56 | 62.4° | 179.9° |
| N22 | C23 | C24 | H55 | 178.0° | 60.0° |
| C23 | N22 | C28 | H62 | 56.1° | 179.6° |
| C23 | N22 | C28 | H63 | 63.9° | 59.6° |
| C23 | N22 | C28 | H61 | 176.1° | 60.4° |
| C23 | N22 | C1 | H42 | 60.1° | 56.9° |
| C23 | N22 | C1 | H41 | 179.9° | 176.8° |
| N22 | C23 | H53 | H54 | 119.8° | 119.9° |
| C25 | N27 | C37 | H60 | 180.0° | 180.0° |
| N27 | C25 | C24 | H57 | 118.7° | 120.2° |
| C25 | N27 | C37 | C30 | 177.7° | 180.0° |
| C25 | N27 | C37 | O38 | 1.1° | 0.1° |
| N27 | C25 | C24 | C23 | 178.4° | 176.8° |
| N27 | C25 | C24 | H56 | 58.1° | 63.3° |
| N27 | C25 | C24 | H55 | 61.4° | 56.8° |
| N27 | C25 | C26 | H58 | 57.3° | 56.9° |
| N27 | C25 | C26 | H59 | 62.2° | 63.3° |
| C37 | N27 | C25 | C24 | 102.3° | 85.4° |
| N27 | C37 | C30 | O38 | 178.8° | 179.9° |
| N27 | C37 | C30 | C31 | 142.0° | 180.0° |
| C37 | N27 | C25 | H57 | 15.9° | 34.8° |
| N2 | C33 | C32 | C31 | 178.4° | 180.0° |
| N2 | C33 | C32 | O35 | 3.4° | 0.0° |
| N2 | C33 | C34 | H66 | 1.5° | 0.2° |
| C25 | C24 | C23 | H56 | 120.2° | 119.9° |
| C25 | C24 | C23 | H55 | 120.2° | 119.9° |
| C25 | C24 | H56 | H55 | 119.4° | 120.1° |
| C24 | C25 | C26 | H58 | 65.6° | 63.0° |
| C24 | C25 | C26 | H59 | 174.9° | 176.9° |
| C25 | C24 | C23 | H53 | 62.3° | 180.0° |
| C25 | C24 | C23 | H54 | 177.9° | 60.1° |
| C24 | C25 | N27 | H60 | 77.7° | 94.6° |
| C33 | C32 | C31 | C30 | 0.9° | 0.1° |
| C33 | C32 | C31 | O35 | 178.0° | 179.9° |
| C33 | C32 | O35 | C36 | 175.7° | 180.0° |
| C32 | C33 | N2 | H43 | 35.6° | 25.3° |
| C33 | C32 | C31 | H65 | 179.0° | 180.0° |
| C32 | C33 | C34 | H66 | 179.2° | 179.9° |
| C37 | C30 | C31 | C32 | 177.3° | 180.0° |
| C30 | C37 | N27 | H60 | 2.3° | 0.0° |
| C37 | C30 | C29 | H64 | 2.7° | 0.1° |
| C37 | C30 | C31 | H65 | 2.7° | 0.1° |
| C31 | C30 | C37 | O38 | 36.8° | 0.1° |
| C30 | C31 | C32 | H65 | 180.0° | 180.0° |
| C30 | C31 | C32 | O35 | 177.1° | 180.0° |
| C31 | C30 | C29 | H64 | 179.4° | 180.0° |
| O38 | C37 | N27 | H60 | 178.9° | 180.0° |
| C23 | C24 | H56 | H55 | 119.4° | 120.1° |
| C24 | C23 | N22 | H52 | 57.0° | 57.0° |
| C24 | C23 | H53 | H54 | 119.8° | 119.9° |
| C23 | C24 | C25 | H57 | 63.0° | 63.0° |
| C31 | C32 | O35 | C36 | 2.5° | 0.0° |
| O35 | C32 | C31 | H65 | 2.9° | 0.1° |
| C32 | O35 | C36 | H67 | 180.0° | 180.0° |
| C32 | O35 | C36 | H68 | 60.0° | 60.0° |
| C32 | O35 | C36 | H69 | 60.0° | 60.0° |
| O35 | C36 | H67 | H68 | 120.0° | 120.0° |
| O35 | C36 | H67 | H69 | 120.0° | 120.0° |
| O35 | C36 | H68 | H69 | 120.0° | 120.0° |
| H48 | C17 | C16 | H47 | 1.2° | 0.0° |
| H48 | C17 | C18 | H49 | 0.2° | 0.1° |
| H50 | C21 | C14 | H46 | 122.5° | 121.8° |
| H50 | C21 | C14 | H45 | 1.0° | 0.3° |
| H51 | C21 | C14 | H46 | 1.6° | 0.3° |
| H51 | C21 | C14 | H45 | 120.0° | 121.8° |
| H56 | C24 | C23 | H53 | 177.5° | 60.1° |
| H56 | C24 | C23 | H54 | 57.7° | 59.8° |
| H56 | C24 | C25 | H57 | 176.8° | 57.0° |
| H55 | C24 | C23 | H53 | 58.0° | 60.1° |
| H55 | C24 | C23 | H54 | 61.9° | 180.0° |
| H55 | C24 | C25 | H57 | 57.3° | 177.1° |
| H58 | C26 | C1 | H42 | 176.8° | 180.0° |
| H58 | C26 | C1 | H41 | 56.9° | 60.0° |
| H58 | C26 | C25 | H57 | 176.5° | 177.2° |
| H59 | C26 | C1 | H42 | 57.2° | 59.9° |
| H59 | C26 | C1 | H41 | 62.6° | 60.1° |
| H59 | C26 | C25 | H57 | 56.9° | 57.0° |
| H62 | C28 | H63 | H61 | 120.0° | 120.0° |
| H62 | C28 | N22 | H52 | 61.9° | 59.9° |
| H63 | C28 | N22 | H52 | 178.1° | 60.1° |
| H61 | C28 | N22 | H52 | 58.1° | 179.9° |
| H42 | C1 | N22 | H52 | 177.5° | 176.9° |
| H41 | C1 | N22 | H52 | 62.7° | 63.2° |
| H52 | N22 | C23 | H53 | 177.1° | 63.1° |
| H52 | N22 | C23 | H54 | 63.0° | 177.0° |
| H57 | C25 | N27 | H60 | 164.1° | 145.2° |
| H64 | C29 | C34 | H66 | 0.6° | 0.2° |
| H67 | C36 | H68 | H69 | 120.0° | 120.0° |
