GEI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| C25 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | C26 | sing | 1.53Å | 1.52Å | |
| C23 | O14 | sing | 1.43Å | 1.45Å | |
| F41 | C38 | sing | 1.35Å | 1.36Å | |
| C39 | C38 | doub | 1.39Å | 1.36Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.37Å | Aromatic |
| C30 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| O14 | C8 | sing | 1.43Å | 1.43Å | |
| C10 | C2 | sing | 1.51Å | 1.50Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C20 | N7 | sing | 1.47Å | 1.46Å | |
| N3 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| N3 | C4 | sing | 1.32Å | 1.34Å | Aromatic |
| C40 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C9 | sing | 1.51Å | 1.50Å | |
| C4 | C5 | doub | 1.38Å | 1.42Å | Aromatic |
| C1 | C11 | sing | 1.48Å | 1.50Å | |
| C1 | C6 | doub | 1.41Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C8 | sing | 1.51Å | 1.54Å | |
| C11 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | N7 | sing | 1.39Å | 1.42Å | |
| N7 | C16 | sing | 1.47Å | 1.47Å | |
| C8 | C12 | sing | 1.51Å | 1.53Å | |
| C37 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C18 | sing | 1.53Å | 1.53Å | |
| C29 | O32 | sing | 1.36Å | 1.37Å | |
| C29 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| O32 | C33 | sing | 1.43Å | 1.44Å | |
| C18 | C22 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.51Å | 1.51Å | |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C12 | O13 | sing | 1.34Å | 1.30Å | |
| C12 | O15 | doub | 1.21Å | 1.22Å | |
| C34 | C33 | sing | 1.53Å | 1.52Å | |
| C17 | H52 | sing | 1.09Å | 1.10Å | |
| C17 | H53 | sing | 1.09Å | 1.10Å | |
| C16 | H50 | sing | 1.09Å | 1.10Å | |
| C16 | H51 | sing | 1.09Å | 1.10Å | |
| C19 | H54 | sing | 1.09Å | 1.10Å | |
| C19 | H55 | sing | 1.09Å | 1.10Å | |
| C20 | H56 | sing | 1.09Å | 1.10Å | |
| C20 | H57 | sing | 1.09Å | 1.10Å | |
| C21 | H58 | sing | 1.09Å | 1.10Å | |
| C21 | H60 | sing | 1.09Å | 1.10Å | |
| C21 | H59 | sing | 1.09Å | 1.10Å | |
| C22 | H61 | sing | 1.09Å | 1.10Å | |
| C22 | H63 | sing | 1.09Å | 1.10Å | |
| C22 | H62 | sing | 1.09Å | 1.10Å | |
| C24 | H65 | sing | 1.09Å | 1.10Å | |
| C24 | H64 | sing | 1.09Å | 1.10Å | |
| C24 | H66 | sing | 1.09Å | 1.10Å | |
| C34 | H80 | sing | 1.09Å | 1.10Å | |
| C34 | H79 | sing | 1.09Å | 1.10Å | |
| C27 | H73 | sing | 1.08Å | 1.08Å | |
| C33 | H77 | sing | 1.09Å | 1.10Å | |
| C33 | H78 | sing | 1.09Å | 1.10Å | |
| C8 | H42 | sing | 1.09Å | 1.10Å | |
| C9 | H43 | sing | 1.09Å | 1.10Å | |
| C9 | H45 | sing | 1.09Å | 1.10Å | |
| C9 | H44 | sing | 1.09Å | 1.10Å | |
| C10 | H47 | sing | 1.09Å | 1.10Å | |
| C10 | H46 | sing | 1.09Å | 1.10Å | |
| C10 | H48 | sing | 1.09Å | 1.10Å | |
| O13 | H49 | sing | 0.97Å | 0.95Å | |
| C25 | H68 | sing | 1.09Å | 1.10Å | |
| C25 | H67 | sing | 1.09Å | 1.10Å | |
| C25 | H69 | sing | 1.09Å | 1.10Å | |
| C26 | H70 | sing | 1.09Å | 1.10Å | |
| C26 | H71 | sing | 1.09Å | 1.10Å | |
| C26 | H72 | sing | 1.09Å | 1.10Å | |
| C28 | H74 | sing | 1.08Å | 1.08Å | |
| C30 | H75 | sing | 1.08Å | 1.08Å | |
| C31 | H76 | sing | 1.08Å | 1.08Å | |
| C36 | H81 | sing | 1.08Å | 1.08Å | |
| C37 | H82 | sing | 1.08Å | 1.08Å | |
| C39 | H83 | sing | 1.08Å | 1.08Å | |
| C40 | H84 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | C25 | 110.8° | 109.5° |
| C24 | C23 | C26 | 111.4° | 109.5° |
| C24 | C23 | O14 | 101.5° | 109.5° |
| C23 | C24 | H65 | 109.5° | 109.5° |
| C23 | C24 | H64 | 109.5° | 109.5° |
| C23 | C24 | H66 | 109.4° | 109.5° |
| C25 | C23 | C26 | 110.6° | 109.4° |
| C25 | C23 | O14 | 111.5° | 109.5° |
| C23 | C25 | H68 | 109.5° | 109.5° |
| C23 | C25 | H67 | 109.5° | 109.5° |
| C23 | C25 | H69 | 109.5° | 109.5° |
| C26 | C23 | O14 | 110.9° | 109.5° |
| C23 | C26 | H70 | 109.5° | 109.5° |
| C23 | C26 | H71 | 109.5° | 109.5° |
| C23 | C26 | H72 | 109.5° | 109.5° |
| C23 | O14 | C8 | 121.3° | 114.0° |
| F41 | C38 | C39 | 118.5° | 120.0° |
| F41 | C38 | C37 | 118.6° | 120.1° |
| C38 | C39 | C40 | 118.2° | 120.0° |
| C39 | C38 | C37 | 122.9° | 119.9° |
| C38 | C39 | H83 | 120.9° | 120.0° |
| C39 | C40 | C35 | 121.2° | 120.0° |
| C40 | C39 | H83 | 120.9° | 120.0° |
| C39 | C40 | H84 | 119.4° | 120.0° |
| C30 | C31 | C11 | 121.1° | 120.0° |
| C31 | C30 | C29 | 119.7° | 120.0° |
| C31 | C30 | H75 | 120.2° | 120.0° |
| C30 | C31 | H76 | 119.4° | 120.0° |
| C31 | C11 | C1 | 121.4° | 120.1° |
| C31 | C11 | C27 | 118.0° | 119.9° |
| C11 | C31 | H76 | 119.4° | 120.0° |
| C38 | C37 | C36 | 118.2° | 120.0° |
| C38 | C37 | H82 | 120.9° | 120.0° |
| C30 | C29 | O32 | 116.9° | 119.9° |
| C30 | C29 | C28 | 120.2° | 120.2° |
| C29 | C30 | H75 | 120.1° | 119.9° |
| O14 | C8 | C5 | 112.3° | 109.5° |
| O14 | C8 | C12 | 111.6° | 109.5° |
| O14 | C8 | H42 | 109.1° | 109.4° |
| C10 | C2 | N3 | 115.4° | 119.7° |
| C10 | C2 | C1 | 122.6° | 119.7° |
| C2 | C10 | H47 | 109.5° | 109.5° |
| C2 | C10 | H46 | 109.5° | 109.5° |
| C2 | C10 | H48 | 109.5° | 109.4° |
| C20 | C19 | C18 | 115.2° | 109.3° |
| C19 | C20 | N7 | 111.2° | 109.5° |
| C20 | C19 | H54 | 108.0° | 109.5° |
| C20 | C19 | H55 | 108.1° | 109.5° |
| C19 | C20 | H56 | 109.0° | 109.5° |
| C19 | C20 | H57 | 109.0° | 109.4° |
| C19 | C18 | C21 | 109.1° | 109.6° |
| C19 | C18 | C22 | 110.7° | 109.5° |
| C19 | C18 | C17 | 108.4° | 109.2° |
| C18 | C19 | H54 | 108.0° | 109.5° |
| C18 | C19 | H55 | 108.0° | 109.5° |
| C20 | N7 | C6 | 121.6° | 111.0° |
| C20 | N7 | C16 | 112.8° | 111.2° |
| N7 | C20 | H56 | 109.0° | 109.5° |
| N7 | C20 | H57 | 109.0° | 109.5° |
| C2 | N3 | C4 | 120.1° | 122.0° |
| N3 | C2 | C1 | 121.9° | 120.7° |
| N3 | C4 | C9 | 115.2° | 119.4° |
| N3 | C4 | C5 | 122.3° | 121.1° |
| C40 | C35 | C36 | 118.4° | 120.0° |
| C40 | C35 | C34 | 120.7° | 120.0° |
| C35 | C40 | H84 | 119.4° | 120.0° |
| C2 | C1 | C11 | 117.6° | 120.6° |
| C2 | C1 | C6 | 119.0° | 118.8° |
| C9 | C4 | C5 | 122.5° | 119.4° |
| C4 | C9 | H43 | 109.5° | 109.5° |
| C4 | C9 | H45 | 109.5° | 109.5° |
| C4 | C9 | H44 | 109.5° | 109.5° |
| C4 | C5 | C6 | 117.9° | 119.1° |
| C4 | C5 | C8 | 121.9° | 120.4° |
| C11 | C1 | C6 | 122.9° | 120.6° |
| C1 | C11 | C27 | 120.6° | 120.1° |
| C1 | C6 | C5 | 118.7° | 118.2° |
| C1 | C6 | N7 | 121.2° | 120.9° |
| C6 | C5 | C8 | 120.2° | 120.4° |
| C5 | C6 | N7 | 120.1° | 120.9° |
| C5 | C8 | C12 | 108.1° | 109.5° |
| C5 | C8 | H42 | 107.7° | 109.4° |
| C11 | C27 | C28 | 121.3° | 119.9° |
| C11 | C27 | H73 | 119.4° | 120.0° |
| C6 | N7 | C16 | 120.8° | 111.0° |
| N7 | C16 | C17 | 111.5° | 109.5° |
| N7 | C16 | H50 | 109.0° | 109.4° |
| N7 | C16 | H51 | 109.0° | 109.5° |
| C8 | C12 | O13 | 113.9° | 120.0° |
| C8 | C12 | O15 | 122.1° | 120.0° |
| C12 | C8 | H42 | 107.9° | 109.5° |
| C37 | C36 | C35 | 121.1° | 120.0° |
| C37 | C36 | H81 | 119.4° | 120.0° |
| C36 | C37 | H82 | 120.9° | 120.0° |
| C21 | C18 | C22 | 109.2° | 109.5° |
| C21 | C18 | C17 | 109.8° | 109.5° |
| C18 | C21 | H58 | 109.5° | 109.5° |
| C18 | C21 | H60 | 109.5° | 109.4° |
| C18 | C21 | H59 | 109.5° | 109.4° |
| O32 | C29 | C28 | 122.9° | 119.9° |
| C29 | O32 | C33 | 118.6° | 117.0° |
| C29 | C28 | C27 | 119.7° | 120.1° |
| C29 | C28 | H74 | 120.1° | 120.0° |
| O32 | C33 | C34 | 110.6° | 109.5° |
| O32 | C33 | H77 | 109.2° | 109.5° |
| O32 | C33 | H78 | 109.2° | 109.5° |
| C22 | C18 | C17 | 109.6° | 109.5° |
| C18 | C22 | H61 | 109.5° | 109.4° |
| C18 | C22 | H63 | 109.5° | 109.4° |
| C18 | C22 | H62 | 109.5° | 109.5° |
| C18 | C17 | C16 | 113.9° | 109.2° |
| C18 | C17 | H52 | 108.4° | 109.5° |
| C18 | C17 | H53 | 108.4° | 109.5° |
| C36 | C35 | C34 | 121.0° | 120.0° |
| C35 | C36 | H81 | 119.4° | 119.9° |
| C35 | C34 | C33 | 113.2° | 109.5° |
| C35 | C34 | H80 | 108.5° | 109.5° |
| C35 | C34 | H79 | 108.5° | 109.5° |
| C28 | C27 | H73 | 119.4° | 120.1° |
| C27 | C28 | H74 | 120.2° | 120.0° |
| C16 | C17 | H52 | 108.4° | 109.5° |
| C16 | C17 | H53 | 108.4° | 109.5° |
| C17 | C16 | H50 | 109.0° | 109.4° |
| C17 | C16 | H51 | 109.0° | 109.5° |
| O13 | C12 | O15 | 124.0° | 120.0° |
| C12 | O13 | H49 | 109.5° | 117.1° |
| C33 | C34 | H80 | 108.5° | 109.4° |
| C33 | C34 | H79 | 108.5° | 109.4° |
| C34 | C33 | H77 | 109.2° | 109.4° |
| C34 | C33 | H78 | 109.2° | 109.5° |
| H52 | C17 | H53 | 109.4° | 109.6° |
| H50 | C16 | H51 | 109.5° | 109.5° |
| H54 | C19 | H55 | 109.5° | 109.5° |
| H56 | C20 | H57 | 109.5° | 109.4° |
| H58 | C21 | H60 | 109.5° | 109.5° |
| H58 | C21 | H59 | 109.5° | 109.5° |
| H60 | C21 | H59 | 109.5° | 109.4° |
| H61 | C22 | H63 | 109.4° | 109.5° |
| H61 | C22 | H62 | 109.4° | 109.5° |
| H63 | C22 | H62 | 109.5° | 109.5° |
| H65 | C24 | H64 | 109.5° | 109.4° |
| H65 | C24 | H66 | 109.5° | 109.5° |
| H64 | C24 | H66 | 109.5° | 109.5° |
| H80 | C34 | H79 | 109.5° | 109.4° |
| H77 | C33 | H78 | 109.5° | 109.4° |
| H43 | C9 | H45 | 109.5° | 109.5° |
| H43 | C9 | H44 | 109.5° | 109.4° |
| H45 | C9 | H44 | 109.4° | 109.4° |
| H47 | C10 | H46 | 109.5° | 109.5° |
| H47 | C10 | H48 | 109.5° | 109.5° |
| H46 | C10 | H48 | 109.5° | 109.4° |
| H68 | C25 | H67 | 109.5° | 109.5° |
| H68 | C25 | H69 | 109.5° | 109.5° |
| H67 | C25 | H69 | 109.5° | 109.4° |
| H70 | C26 | H71 | 109.5° | 109.5° |
| H70 | C26 | H72 | 109.5° | 109.5° |
| H71 | C26 | H72 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | C25 | C26 | 124.0° | 120.0° |
| C24 | C23 | C25 | O14 | 112.3° | 120.0° |
| C24 | C23 | C26 | O14 | 112.3° | 120.0° |
| C24 | C23 | O14 | C8 | 177.0° | 65.9° |
| C23 | C24 | H65 | H64 | 120.0° | 120.0° |
| C23 | C24 | H65 | H66 | 120.0° | 120.0° |
| C23 | C24 | H64 | H66 | 120.0° | 120.0° |
| C24 | C23 | C25 | H68 | 180.0° | 180.0° |
| C24 | C23 | C25 | H67 | 60.0° | 60.0° |
| C24 | C23 | C25 | H69 | 60.0° | 59.9° |
| C24 | C23 | C26 | H70 | 180.0° | 180.0° |
| C24 | C23 | C26 | H71 | 60.0° | 60.0° |
| C24 | C23 | C26 | H72 | 60.0° | 60.0° |
| C25 | C23 | C26 | O14 | 124.1° | 120.0° |
| C25 | C23 | O14 | C8 | 59.0° | 174.1° |
| C25 | C23 | C24 | H65 | 180.0° | 49.9° |
| C25 | C23 | C24 | H64 | 60.0° | 70.0° |
| C25 | C23 | C24 | H66 | 60.0° | 169.9° |
| C23 | C25 | H68 | H67 | 120.0° | 120.0° |
| C23 | C25 | H68 | H69 | 120.0° | 120.1° |
| C23 | C25 | H67 | H69 | 120.0° | 120.0° |
| C25 | C23 | C26 | H70 | 56.4° | 60.0° |
| C25 | C23 | C26 | H71 | 176.4° | 59.9° |
| C25 | C23 | C26 | H72 | 63.6° | 180.0° |
| C26 | C23 | O14 | C8 | 64.6° | 54.1° |
| C26 | C23 | C24 | H65 | 56.5° | 70.0° |
| C26 | C23 | C24 | H64 | 176.5° | 170.0° |
| C26 | C23 | C24 | H66 | 63.5° | 50.0° |
| C26 | C23 | C25 | H68 | 56.0° | 60.0° |
| C26 | C23 | C25 | H67 | 64.0° | 180.0° |
| C26 | C23 | C25 | H69 | 176.0° | 60.0° |
| C23 | C26 | H70 | H71 | 120.0° | 120.0° |
| C23 | C26 | H70 | H72 | 120.0° | 120.0° |
| C23 | C26 | H71 | H72 | 120.0° | 120.0° |
| C23 | O14 | C8 | C5 | 84.1° | 150.1° |
| C23 | O14 | C8 | C12 | 154.3° | 89.8° |
| O14 | C23 | C24 | H65 | 61.5° | 169.9° |
| O14 | C23 | C24 | H64 | 58.5° | 50.0° |
| O14 | C23 | C24 | H66 | 178.5° | 70.1° |
| C23 | O14 | C8 | H42 | 35.2° | 30.2° |
| O14 | C23 | C25 | H68 | 67.8° | 60.0° |
| O14 | C23 | C25 | H67 | 172.3° | 60.0° |
| O14 | C23 | C25 | H69 | 52.2° | 179.9° |
| O14 | C23 | C26 | H70 | 67.7° | 60.0° |
| O14 | C23 | C26 | H71 | 52.3° | 180.0° |
| O14 | C23 | C26 | H72 | 172.2° | 60.0° |
| F41 | C38 | C39 | C37 | 179.8° | 179.9° |
| F41 | C38 | C39 | C40 | 179.4° | 179.8° |
| F41 | C38 | C37 | C36 | 179.9° | 179.9° |
| F41 | C38 | C37 | H82 | 0.1° | 0.0° |
| F41 | C38 | C39 | H83 | 0.6° | 0.0° |
| C38 | C39 | C40 | H83 | 180.0° | 179.7° |
| C38 | C39 | C40 | C35 | 0.5° | 0.5° |
| C39 | C38 | C37 | C36 | 0.1° | 0.0° |
| C39 | C38 | C37 | H82 | 179.9° | 180.0° |
| C38 | C39 | C40 | H84 | 179.5° | 180.0° |
| C40 | C39 | C38 | C37 | 0.4° | 0.3° |
| C39 | C40 | C35 | H84 | 180.0° | 179.5° |
| C39 | C40 | C35 | C36 | 0.1° | 0.5° |
| C39 | C40 | C35 | C34 | 179.3° | 179.8° |
| C30 | C31 | C11 | H76 | 180.0° | 179.4° |
| C31 | C30 | C29 | H75 | 180.0° | 179.7° |
| C30 | C31 | C11 | C1 | 177.2° | 179.7° |
| C30 | C31 | C11 | C27 | 1.8° | 0.6° |
| C31 | C30 | C29 | O32 | 177.5° | 179.7° |
| C31 | C30 | C29 | C28 | 0.7° | 0.3° |
| C11 | C31 | C30 | C29 | 0.4° | 0.6° |
| C31 | C11 | C1 | C2 | 68.1° | 113.3° |
| C31 | C11 | C1 | C27 | 179.0° | 179.7° |
| C31 | C11 | C1 | C6 | 119.5° | 67.0° |
| C31 | C11 | C27 | C28 | 2.2° | 0.3° |
| C31 | C11 | C27 | H73 | 177.8° | 179.7° |
| C11 | C31 | C30 | H75 | 179.6° | 179.8° |
| C38 | C37 | C36 | H82 | 180.0° | 180.0° |
| C38 | C37 | C36 | C35 | 0.5° | 0.0° |
| C38 | C37 | C36 | H81 | 179.5° | 180.0° |
| C37 | C38 | C39 | H83 | 179.6° | 180.0° |
| C30 | C29 | O32 | C28 | 178.1° | 180.0° |
| C30 | C29 | O32 | C33 | 176.2° | 0.0° |
| C30 | C29 | C28 | C27 | 0.3° | 0.0° |
| C30 | C29 | C28 | H74 | 179.7° | 180.0° |
| C29 | C30 | C31 | H76 | 179.5° | 180.0° |
| O14 | C8 | C5 | C4 | 51.6° | 45.9° |
| O14 | C8 | C5 | C6 | 126.3° | 133.9° |
| O14 | C8 | C5 | C12 | 123.5° | 120.0° |
| O14 | C8 | C5 | H42 | 120.1° | 119.9° |
| O14 | C8 | C12 | H42 | 119.8° | 120.0° |
| O14 | C8 | C12 | O13 | 22.2° | 175.0° |
| O14 | C8 | C12 | O15 | 158.6° | 5.0° |
| C10 | C2 | N3 | C1 | 177.2° | 180.0° |
| C10 | C2 | N3 | C4 | 176.0° | 180.0° |
| C10 | C2 | C1 | C11 | 6.0° | 0.0° |
| C10 | C2 | C1 | C6 | 178.7° | 179.7° |
| C2 | C10 | H47 | H46 | 120.0° | 120.0° |
| C2 | C10 | H47 | H48 | 120.0° | 120.0° |
| C2 | C10 | H46 | H48 | 120.0° | 119.9° |
| C20 | C19 | C18 | H54 | 120.8° | 120.0° |
| C20 | C19 | C18 | H55 | 120.9° | 119.9° |
| C19 | C20 | N7 | H56 | 120.3° | 120.0° |
| C19 | C20 | N7 | H57 | 120.2° | 120.0° |
| C19 | C20 | N7 | C6 | 149.0° | 174.2° |
| C19 | C20 | N7 | C16 | 55.5° | 61.8° |
| C20 | C19 | C18 | C21 | 167.8° | 177.6° |
| C20 | C19 | C18 | C22 | 72.1° | 62.3° |
| C20 | C19 | C18 | C17 | 48.2° | 57.6° |
| C20 | C19 | H54 | H55 | 117.4° | 120.1° |
| C19 | C20 | H56 | H57 | 119.2° | 119.9° |
| C18 | C19 | C20 | N7 | 52.4° | 59.2° |
| C19 | C18 | C21 | C22 | 121.1° | 120.2° |
| C19 | C18 | C21 | C17 | 118.7° | 119.8° |
| C19 | C18 | C22 | C17 | 119.6° | 119.7° |
| C19 | C18 | C17 | C16 | 48.7° | 57.6° |
| C19 | C18 | C17 | H52 | 72.0° | 62.3° |
| C19 | C18 | C17 | H53 | 169.4° | 177.6° |
| C18 | C19 | H54 | H55 | 117.4° | 120.1° |
| C18 | C19 | C20 | H56 | 67.8° | 60.9° |
| C18 | C19 | C20 | H57 | 172.7° | 179.2° |
| C19 | C18 | C21 | H58 | 180.0° | 179.8° |
| C19 | C18 | C21 | H60 | 60.0° | 59.8° |
| C19 | C18 | C21 | H59 | 60.0° | 60.1° |
| C19 | C18 | C22 | H61 | 180.0° | 175.9° |
| C19 | C18 | C22 | H63 | 60.0° | 64.1° |
| C19 | C18 | C22 | H62 | 60.0° | 55.9° |
| C20 | N7 | C6 | C1 | 43.5° | 124.0° |
| C20 | N7 | C6 | C5 | 134.8° | 55.7° |
| C20 | N7 | C6 | C16 | 153.7° | 124.2° |
| C20 | N7 | C16 | C17 | 56.8° | 61.8° |
| C20 | N7 | C16 | H50 | 63.5° | 178.3° |
| C20 | N7 | C16 | H51 | 177.1° | 58.3° |
| N7 | C20 | C19 | H54 | 68.4° | 179.2° |
| N7 | C20 | C19 | H55 | 173.2° | 60.8° |
| N7 | C20 | H56 | H57 | 119.2° | 120.0° |
| C2 | N3 | C4 | C9 | 175.7° | 180.0° |
| C2 | N3 | C4 | C5 | 3.0° | 0.1° |
| N3 | C2 | C1 | C11 | 171.1° | 180.0° |
| N3 | C2 | C1 | C6 | 1.7° | 0.3° |
| N3 | C2 | C10 | H47 | 0.0° | 90.0° |
| N3 | C2 | C10 | H46 | 120.0° | 30.0° |
| N3 | C2 | C10 | H48 | 120.0° | 150.0° |
| C4 | N3 | C2 | C1 | 1.2° | 0.0° |
| N3 | C4 | C9 | C5 | 178.7° | 180.0° |
| N3 | C4 | C5 | C6 | 1.7° | 0.2° |
| N3 | C4 | C5 | C8 | 176.3° | 180.0° |
| N3 | C4 | C9 | H43 | 0.0° | 90.0° |
| N3 | C4 | C9 | H45 | 120.0° | 150.0° |
| N3 | C4 | C9 | H44 | 120.0° | 30.0° |
| C40 | C35 | C36 | C37 | 0.4° | 0.2° |
| C40 | C35 | C36 | C34 | 179.4° | 179.7° |
| C40 | C35 | C34 | C33 | 90.4° | 90.3° |
| C40 | C35 | C34 | H80 | 149.1° | 149.7° |
| C40 | C35 | C34 | H79 | 30.2° | 29.7° |
| C40 | C35 | C36 | H81 | 179.6° | 179.7° |
| C35 | C40 | C39 | H83 | 179.5° | 179.7° |
| C2 | C1 | C11 | C6 | 172.5° | 179.7° |
| C2 | C1 | C6 | C5 | 2.9° | 0.6° |
| C2 | C1 | C11 | C27 | 112.9° | 67.0° |
| C2 | C1 | C6 | N7 | 175.4° | 179.7° |
| C1 | C2 | C10 | H47 | 177.2° | 90.0° |
| C1 | C2 | C10 | H46 | 57.2° | 150.0° |
| C1 | C2 | C10 | H48 | 62.8° | 30.0° |
| C9 | C4 | C5 | C6 | 176.9° | 179.8° |
| C9 | C4 | C5 | C8 | 5.1° | 0.1° |
| C4 | C9 | H43 | H45 | 120.0° | 120.0° |
| C4 | C9 | H43 | H44 | 120.0° | 120.0° |
| C4 | C9 | H45 | H44 | 120.0° | 120.0° |
| C4 | C5 | C6 | C1 | 1.3° | 0.5° |
| C4 | C5 | C6 | C8 | 178.0° | 179.8° |
| C4 | C5 | C6 | N7 | 177.1° | 179.8° |
| C4 | C5 | C8 | C12 | 71.9° | 74.1° |
| C4 | C5 | C8 | H42 | 171.7° | 165.9° |
| C5 | C4 | C9 | H43 | 178.7° | 90.0° |
| C5 | C4 | C9 | H45 | 61.3° | 30.0° |
| C5 | C4 | C9 | H44 | 58.7° | 150.0° |
| C11 | C1 | C6 | C5 | 169.5° | 179.7° |
| C11 | C1 | C6 | N7 | 12.2° | 0.0° |
| C1 | C11 | C27 | C28 | 176.9° | 180.0° |
| C1 | C11 | C27 | H73 | 3.1° | 0.0° |
| C1 | C11 | C31 | H76 | 2.8° | 0.3° |
| C1 | C6 | C5 | N7 | 178.3° | 179.7° |
| C1 | C6 | C5 | C8 | 179.3° | 179.7° |
| C6 | C1 | C11 | C27 | 59.6° | 112.7° |
| C1 | C6 | N7 | C16 | 110.1° | 111.8° |
| C5 | C6 | N7 | C16 | 71.6° | 68.5° |
| C6 | C5 | C8 | C12 | 110.1° | 106.0° |
| C6 | C5 | C8 | H42 | 6.2° | 14.0° |
| C8 | C5 | C6 | N7 | 1.0° | 0.0° |
| C5 | C8 | C12 | H42 | 116.2° | 120.0° |
| C5 | C8 | C12 | O13 | 146.1° | 65.0° |
| C5 | C8 | C12 | O15 | 34.7° | 115.0° |
| C11 | C27 | C28 | C29 | 1.2° | 0.0° |
| C11 | C27 | C28 | H73 | 180.0° | 180.0° |
| C11 | C27 | C28 | H74 | 178.8° | 180.0° |
| C27 | C11 | C31 | H76 | 178.1° | 180.0° |
| C6 | N7 | C16 | C17 | 147.4° | 174.2° |
| C6 | N7 | C16 | H50 | 92.3° | 54.2° |
| C6 | N7 | C16 | H51 | 27.1° | 65.8° |
| C6 | N7 | C20 | H56 | 90.8° | 65.8° |
| C6 | N7 | C20 | H57 | 28.7° | 54.2° |
| N7 | C16 | C17 | C18 | 54.2° | 59.2° |
| N7 | C16 | C17 | H50 | 120.3° | 119.9° |
| N7 | C16 | C17 | H51 | 120.3° | 120.0° |
| N7 | C16 | C17 | H52 | 66.4° | 60.7° |
| N7 | C16 | C17 | H53 | 174.9° | 179.1° |
| N7 | C16 | H50 | H51 | 119.1° | 120.0° |
| C16 | N7 | C20 | H56 | 64.8° | 58.3° |
| C16 | N7 | C20 | H57 | 175.7° | 178.2° |
| C8 | C12 | O13 | O15 | 179.2° | 180.0° |
| C8 | C12 | O13 | H49 | 179.1° | 180.0° |
| C37 | C36 | C35 | H81 | 180.0° | 180.0° |
| C37 | C36 | C35 | C34 | 179.8° | 180.0° |
| C21 | C18 | C22 | C17 | 120.3° | 120.1° |
| C21 | C18 | C17 | C16 | 167.9° | 177.7° |
| C21 | C18 | C17 | H52 | 47.2° | 57.7° |
| C21 | C18 | C17 | H53 | 71.5° | 62.4° |
| C21 | C18 | C19 | H54 | 46.9° | 62.4° |
| C21 | C18 | C19 | H55 | 71.4° | 57.6° |
| C18 | C21 | H58 | H60 | 120.0° | 120.0° |
| C18 | C21 | H58 | H59 | 120.0° | 120.0° |
| C18 | C21 | H60 | H59 | 120.0° | 119.9° |
| C21 | C18 | C22 | H61 | 59.9° | 63.8° |
| C21 | C18 | C22 | H63 | 60.1° | 56.2° |
| C21 | C18 | C22 | H62 | 179.8° | 176.2° |
| O32 | C29 | C28 | C27 | 177.8° | 180.0° |
| C29 | O32 | C33 | C34 | 177.8° | 180.0° |
| C29 | O32 | C33 | H77 | 57.6° | 60.0° |
| C29 | O32 | C33 | H78 | 62.1° | 59.9° |
| O32 | C29 | C28 | H74 | 2.2° | 0.0° |
| O32 | C29 | C30 | H75 | 2.5° | 0.0° |
| C28 | C29 | O32 | C33 | 1.9° | 180.0° |
| C29 | C28 | C27 | H74 | 180.0° | 179.9° |
| C29 | C28 | C27 | H73 | 178.8° | 180.0° |
| C28 | C29 | C30 | H75 | 179.4° | 180.0° |
| O32 | C33 | C34 | C35 | 64.1° | 180.0° |
| O32 | C33 | C34 | H77 | 120.2° | 120.0° |
| O32 | C33 | C34 | H78 | 120.2° | 120.1° |
| O32 | C33 | C34 | H80 | 175.4° | 59.9° |
| O32 | C33 | C34 | H79 | 56.5° | 60.0° |
| O32 | C33 | H77 | H78 | 119.5° | 120.0° |
| C22 | C18 | C17 | C16 | 72.2° | 62.3° |
| C22 | C18 | C17 | H52 | 167.1° | 177.8° |
| C22 | C18 | C17 | H53 | 48.4° | 57.7° |
| C22 | C18 | C19 | H54 | 167.1° | 57.7° |
| C22 | C18 | C19 | H55 | 48.8° | 177.8° |
| C22 | C18 | C21 | H58 | 58.9° | 60.0° |
| C22 | C18 | C21 | H60 | 178.9° | 180.0° |
| C22 | C18 | C21 | H59 | 61.1° | 60.1° |
| C18 | C22 | H61 | H63 | 120.0° | 120.0° |
| C18 | C22 | H61 | H62 | 120.0° | 120.0° |
| C18 | C22 | H63 | H62 | 120.0° | 120.0° |
| C18 | C17 | C16 | H52 | 120.7° | 119.9° |
| C18 | C17 | C16 | H53 | 120.7° | 119.9° |
| C18 | C17 | H52 | H53 | 118.0° | 120.1° |
| C18 | C17 | C16 | H50 | 66.1° | 179.1° |
| C18 | C17 | C16 | H51 | 174.5° | 60.8° |
| C17 | C18 | C19 | H54 | 72.6° | 177.6° |
| C17 | C18 | C19 | H55 | 169.1° | 62.3° |
| C17 | C18 | C21 | H58 | 61.3° | 60.1° |
| C17 | C18 | C21 | H60 | 58.7° | 60.0° |
| C17 | C18 | C21 | H59 | 178.7° | 179.9° |
| C17 | C18 | C22 | H61 | 60.4° | 56.3° |
| C17 | C18 | C22 | H63 | 179.6° | 176.3° |
| C17 | C18 | C22 | H62 | 59.6° | 63.7° |
| C36 | C35 | C34 | C33 | 89.0° | 90.0° |
| C36 | C35 | C34 | H80 | 31.5° | 30.0° |
| C36 | C35 | C34 | H79 | 150.4° | 150.0° |
| C35 | C36 | C37 | H82 | 179.5° | 180.0° |
| C36 | C35 | C40 | H84 | 179.8° | 180.0° |
| C35 | C34 | C33 | H80 | 120.5° | 120.0° |
| C35 | C34 | C33 | H79 | 120.6° | 120.0° |
| C35 | C34 | H80 | H79 | 118.3° | 120.1° |
| C35 | C34 | C33 | H77 | 175.7° | 60.0° |
| C35 | C34 | C33 | H78 | 56.1° | 60.0° |
| C34 | C35 | C36 | H81 | 0.2° | 0.0° |
| C34 | C35 | C40 | H84 | 0.7° | 0.3° |
| C16 | C17 | H52 | H53 | 118.0° | 120.2° |
| C17 | C16 | H50 | H51 | 119.1° | 120.0° |
| O13 | C12 | C8 | H42 | 97.7° | 55.0° |
| O15 | C12 | C8 | H42 | 81.5° | 125.0° |
| O15 | C12 | O13 | H49 | 0.0° | 0.1° |
| C33 | C34 | H80 | H79 | 118.3° | 119.9° |
| C34 | C33 | H77 | H78 | 119.5° | 120.0° |
| H52 | C17 | C16 | H50 | 173.3° | 59.3° |
| H52 | C17 | C16 | H51 | 53.9° | 179.3° |
| H53 | C17 | C16 | H50 | 54.6° | 60.9° |
| H53 | C17 | C16 | H51 | 64.8° | 59.1° |
| H54 | C19 | C20 | H56 | 171.3° | 59.1° |
| H54 | C19 | C20 | H57 | 51.8° | 60.8° |
| H55 | C19 | C20 | H56 | 53.0° | 179.2° |
| H55 | C19 | C20 | H57 | 66.5° | 59.2° |
| H58 | C21 | H60 | H59 | 120.0° | 120.1° |
| H61 | C22 | H63 | H62 | 120.0° | 120.0° |
| H65 | C24 | H64 | H66 | 120.0° | 120.0° |
| H80 | C34 | C33 | H77 | 55.2° | 60.1° |
| H80 | C34 | C33 | H78 | 64.5° | 180.0° |
| H79 | C34 | C33 | H77 | 63.7° | 180.0° |
| H79 | C34 | C33 | H78 | 176.6° | 60.1° |
| H73 | C27 | C28 | H74 | 1.2° | 0.0° |
| H43 | C9 | H45 | H44 | 120.0° | 119.9° |
| H47 | C10 | H46 | H48 | 120.0° | 120.0° |
| H68 | C25 | H67 | H69 | 120.0° | 120.0° |
| H70 | C26 | H71 | H72 | 120.0° | 120.0° |
| H75 | C30 | C31 | H76 | 0.5° | 0.3° |
| H81 | C36 | C37 | H82 | 0.4° | 0.0° |
| H83 | C39 | C40 | H84 | 0.5° | 0.3° |
