YWA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | O35 | sing | 1.43Å | 1.44Å | |
| C36 | C37 | sing | 1.53Å | 1.51Å | |
| O35 | C34 | sing | 1.43Å | 1.43Å | |
| C37 | C19 | sing | 1.53Å | 1.53Å | |
| C34 | C33 | sing | 1.53Å | 1.51Å | |
| C19 | C33 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| O17 | C15 | sing | 1.43Å | 1.44Å | |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C18 | sing | 1.51Å | 1.52Å | |
| C18 | N7 | sing | 1.46Å | 1.51Å | |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | C32 | sing | 1.53Å | 1.53Å | |
| C15 | C2 | sing | 1.51Å | 1.53Å | |
| N7 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| N7 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.41Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C31 | C26 | sing | 1.51Å | 1.49Å | |
| C1 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C9 | sing | 1.48Å | 1.45Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | N13 | doub | 1.33Å | 1.34Å | Aromatic |
| C26 | N27 | sing | 1.34Å | 1.36Å | Aromatic |
| C26 | C14 | doub | 1.37Å | 1.36Å | Aromatic |
| C11 | C14 | sing | 1.48Å | 1.48Å | |
| C11 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| N27 | N28 | doub | 1.29Å | 1.31Å | Aromatic |
| C14 | N29 | sing | 1.37Å | 1.36Å | Aromatic |
| N13 | C12 | sing | 1.31Å | 1.33Å | Aromatic |
| N28 | N29 | sing | 1.29Å | 1.35Å | Aromatic |
| N29 | C30 | sing | 1.46Å | 1.46Å | |
| C18 | H47 | sing | 1.09Å | 1.10Å | |
| C16 | H44 | sing | 1.09Å | 1.10Å | |
| C16 | H45 | sing | 1.09Å | 1.10Å | |
| C16 | H43 | sing | 1.09Å | 1.10Å | |
| C19 | H48 | sing | 1.09Å | 1.10Å | |
| C21 | H49 | sing | 1.08Å | 1.08Å | |
| C22 | H50 | sing | 1.08Å | 1.08Å | |
| C23 | H51 | sing | 1.08Å | 1.08Å | |
| C24 | H52 | sing | 1.08Å | 1.08Å | |
| C12 | H42 | sing | 1.08Å | 1.08Å | |
| C34 | H65 | sing | 1.09Å | 1.10Å | |
| C34 | H66 | sing | 1.09Å | 1.10Å | |
| C33 | H63 | sing | 1.09Å | 1.10Å | |
| C33 | H64 | sing | 1.09Å | 1.10Å | |
| C1 | H38 | sing | 1.08Å | 1.08Å | |
| C3 | H39 | sing | 1.08Å | 1.08Å | |
| C6 | H40 | sing | 1.08Å | 1.08Å | |
| C10 | H41 | sing | 1.08Å | 1.08Å | |
| O17 | H46 | sing | 0.97Å | 0.95Å | |
| C25 | H53 | sing | 1.08Å | 1.08Å | |
| C30 | H55 | sing | 1.09Å | 1.10Å | |
| C30 | H54 | sing | 1.09Å | 1.10Å | |
| C30 | H56 | sing | 1.09Å | 1.10Å | |
| C31 | H59 | sing | 1.09Å | 1.10Å | |
| C31 | H57 | sing | 1.09Å | 1.10Å | |
| C31 | H58 | sing | 1.09Å | 1.10Å | |
| C32 | H60 | sing | 1.09Å | 1.10Å | |
| C32 | H62 | sing | 1.09Å | 1.10Å | |
| C32 | H61 | sing | 1.09Å | 1.10Å | |
| C36 | H68 | sing | 1.09Å | 1.10Å | |
| C36 | H67 | sing | 1.09Å | 1.10Å | |
| C37 | H70 | sing | 1.09Å | 1.10Å | |
| C37 | H69 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O35 | C36 | C37 | 111.5° | 109.4° |
| C36 | O35 | C34 | 110.9° | 114.1° |
| O35 | C36 | H68 | 109.0° | 109.5° |
| O35 | C36 | H67 | 109.0° | 109.5° |
| C36 | C37 | C19 | 109.8° | 109.2° |
| C37 | C36 | H68 | 109.0° | 109.5° |
| C37 | C36 | H67 | 109.0° | 109.4° |
| C36 | C37 | H70 | 109.4° | 109.5° |
| C36 | C37 | H69 | 109.4° | 109.5° |
| O35 | C34 | C33 | 111.1° | 109.4° |
| O35 | C34 | H65 | 109.1° | 109.5° |
| O35 | C34 | H66 | 109.1° | 109.5° |
| C37 | C19 | C33 | 107.8° | 109.0° |
| C37 | C19 | C18 | 111.8° | 109.5° |
| C37 | C19 | H48 | 108.7° | 109.6° |
| C19 | C37 | H70 | 109.4° | 109.5° |
| C19 | C37 | H69 | 109.4° | 109.6° |
| C34 | C33 | C19 | 109.8° | 109.2° |
| C33 | C34 | H65 | 109.1° | 109.5° |
| C33 | C34 | H66 | 109.1° | 109.5° |
| C34 | C33 | H63 | 109.4° | 109.5° |
| C34 | C33 | H64 | 109.4° | 109.5° |
| C33 | C19 | C18 | 111.1° | 109.6° |
| C33 | C19 | H48 | 108.8° | 109.5° |
| C19 | C33 | H63 | 109.4° | 109.5° |
| C19 | C33 | H64 | 109.4° | 109.5° |
| C19 | C18 | C20 | 114.0° | 109.5° |
| C19 | C18 | N7 | 112.5° | 109.5° |
| C19 | C18 | H47 | 106.2° | 109.5° |
| C18 | C19 | H48 | 108.6° | 109.6° |
| C23 | C24 | C25 | 120.4° | 119.9° |
| C24 | C23 | C22 | 119.6° | 120.0° |
| C24 | C23 | H51 | 120.2° | 120.0° |
| C23 | C24 | H52 | 119.8° | 120.0° |
| C24 | C25 | C20 | 120.7° | 120.0° |
| C25 | C24 | H52 | 119.8° | 120.0° |
| C24 | C25 | H53 | 119.6° | 120.0° |
| C23 | C22 | C21 | 120.3° | 120.0° |
| C23 | C22 | H50 | 119.8° | 120.0° |
| C22 | C23 | H51 | 120.2° | 120.0° |
| C25 | C20 | C21 | 118.2° | 120.0° |
| C25 | C20 | C18 | 122.8° | 120.0° |
| C20 | C25 | H53 | 119.7° | 120.0° |
| O17 | C15 | C16 | 107.5° | 109.5° |
| O17 | C15 | C32 | 107.1° | 109.5° |
| O17 | C15 | C2 | 110.0° | 109.5° |
| C15 | O17 | H46 | 109.5° | 114.0° |
| C22 | C21 | C20 | 120.8° | 120.0° |
| C22 | C21 | H49 | 119.6° | 119.9° |
| C21 | C22 | H50 | 119.9° | 120.0° |
| C21 | C20 | C18 | 118.9° | 120.0° |
| C20 | C21 | H49 | 119.6° | 120.1° |
| C20 | C18 | N7 | 110.6° | 109.4° |
| C20 | C18 | H47 | 106.4° | 109.4° |
| C18 | N7 | C4 | 126.6° | 124.9° |
| C18 | N7 | C8 | 125.7° | 124.9° |
| N7 | C18 | H47 | 106.5° | 109.5° |
| C4 | C3 | C2 | 118.7° | 120.1° |
| C3 | C4 | N7 | 129.9° | 132.3° |
| C3 | C4 | C5 | 121.4° | 119.3° |
| C4 | C3 | H39 | 120.7° | 120.0° |
| C3 | C2 | C15 | 120.8° | 119.7° |
| C3 | C2 | C1 | 119.4° | 120.6° |
| C2 | C3 | H39 | 120.6° | 119.9° |
| C16 | C15 | C32 | 110.3° | 109.5° |
| C16 | C15 | C2 | 111.3° | 109.5° |
| C15 | C16 | H44 | 109.5° | 109.5° |
| C15 | C16 | H45 | 109.5° | 109.5° |
| C15 | C16 | H43 | 109.5° | 109.5° |
| C32 | C15 | C2 | 110.4° | 109.5° |
| C15 | C32 | H60 | 109.5° | 109.5° |
| C15 | C32 | H62 | 109.5° | 109.5° |
| C15 | C32 | H61 | 109.5° | 109.5° |
| C15 | C2 | C1 | 119.4° | 119.7° |
| C4 | N7 | C8 | 107.4° | 110.2° |
| N7 | C4 | C5 | 108.7° | 108.4° |
| N7 | C8 | C10 | 132.0° | 132.5° |
| N7 | C8 | C9 | 109.8° | 108.6° |
| C4 | C5 | C9 | 106.5° | 106.6° |
| C4 | C5 | C6 | 119.2° | 120.0° |
| C2 | C1 | C6 | 121.8° | 120.3° |
| C2 | C1 | H38 | 119.1° | 119.9° |
| C10 | C8 | C9 | 118.1° | 118.9° |
| C8 | C10 | C11 | 118.8° | 118.3° |
| C8 | C10 | H41 | 120.6° | 120.8° |
| C8 | C9 | C5 | 107.6° | 106.2° |
| C8 | C9 | N13 | 124.2° | 120.8° |
| C10 | C11 | C14 | 120.8° | 120.3° |
| C10 | C11 | C12 | 118.1° | 119.2° |
| C11 | C10 | H41 | 120.6° | 120.8° |
| C31 | C26 | N27 | 120.4° | 126.9° |
| C31 | C26 | C14 | 131.4° | 126.8° |
| C26 | C31 | H59 | 109.5° | 109.5° |
| C26 | C31 | H57 | 109.5° | 109.5° |
| C26 | C31 | H58 | 109.4° | 109.4° |
| C1 | C6 | C5 | 119.5° | 119.8° |
| C6 | C1 | H38 | 119.1° | 119.9° |
| C1 | C6 | H40 | 120.2° | 120.1° |
| C9 | C5 | C6 | 134.3° | 133.4° |
| C5 | C9 | N13 | 128.1° | 133.0° |
| C5 | C6 | H40 | 120.2° | 120.1° |
| C9 | N13 | C12 | 117.4° | 121.7° |
| N27 | C26 | C14 | 108.1° | 106.3° |
| C26 | N27 | N28 | 109.2° | 109.3° |
| C26 | C14 | C11 | 129.7° | 127.1° |
| C26 | C14 | N29 | 105.5° | 105.8° |
| C14 | C11 | C12 | 120.9° | 120.4° |
| C11 | C14 | N29 | 124.8° | 127.1° |
| C11 | C12 | N13 | 123.3° | 121.0° |
| C11 | C12 | H42 | 118.3° | 119.5° |
| N27 | N28 | N29 | 107.3° | 110.5° |
| C14 | N29 | N28 | 109.8° | 108.1° |
| C14 | N29 | C30 | 129.3° | 126.0° |
| N13 | C12 | H42 | 118.3° | 119.5° |
| N28 | N29 | C30 | 120.9° | 125.9° |
| N29 | C30 | H55 | 109.5° | 109.5° |
| N29 | C30 | H54 | 109.4° | 109.5° |
| N29 | C30 | H56 | 109.5° | 109.5° |
| H44 | C16 | H45 | 109.5° | 109.5° |
| H44 | C16 | H43 | 109.5° | 109.4° |
| H45 | C16 | H43 | 109.4° | 109.4° |
| H65 | C34 | H66 | 109.5° | 109.5° |
| H63 | C33 | H64 | 109.5° | 109.6° |
| H55 | C30 | H54 | 109.5° | 109.4° |
| H55 | C30 | H56 | 109.5° | 109.4° |
| H54 | C30 | H56 | 109.5° | 109.5° |
| H59 | C31 | H57 | 109.5° | 109.5° |
| H59 | C31 | H58 | 109.5° | 109.5° |
| H57 | C31 | H58 | 109.5° | 109.5° |
| H60 | C32 | H62 | 109.5° | 109.4° |
| H60 | C32 | H61 | 109.5° | 109.5° |
| H62 | C32 | H61 | 109.5° | 109.4° |
| H68 | C36 | H67 | 109.5° | 109.5° |
| H70 | C37 | H69 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O35 | C36 | C37 | H68 | 120.3° | 120.0° |
| O35 | C36 | C37 | H67 | 120.3° | 119.9° |
| O35 | C36 | C37 | C19 | 58.0° | 57.6° |
| C36 | O35 | C34 | C33 | 60.2° | 61.2° |
| C36 | O35 | C34 | H65 | 60.0° | 178.9° |
| C36 | O35 | C34 | H66 | 179.5° | 58.9° |
| O35 | C36 | H68 | H67 | 119.1° | 120.0° |
| O35 | C36 | C37 | H70 | 62.1° | 177.5° |
| O35 | C36 | C37 | H69 | 178.0° | 62.4° |
| C37 | C36 | O35 | C34 | 59.6° | 61.1° |
| C36 | C37 | C19 | H70 | 120.1° | 119.9° |
| C36 | C37 | C19 | H69 | 120.1° | 119.9° |
| C36 | C37 | C19 | C33 | 56.0° | 57.0° |
| C36 | C37 | C19 | C18 | 178.3° | 176.8° |
| C36 | C37 | C19 | H48 | 61.8° | 62.9° |
| C37 | C36 | H68 | H67 | 119.1° | 120.0° |
| C36 | C37 | H70 | H69 | 119.8° | 120.0° |
| O35 | C34 | C33 | H65 | 120.2° | 120.0° |
| O35 | C34 | C33 | H66 | 120.2° | 120.0° |
| O35 | C34 | C33 | C19 | 59.6° | 57.6° |
| O35 | C34 | H65 | H66 | 119.2° | 120.0° |
| O35 | C34 | C33 | H63 | 179.7° | 62.3° |
| O35 | C34 | C33 | H64 | 60.4° | 177.5° |
| C34 | O35 | C36 | H68 | 179.9° | 178.8° |
| C34 | O35 | C36 | H67 | 60.7° | 58.8° |
| C37 | C19 | C33 | C34 | 56.7° | 57.0° |
| C37 | C19 | C33 | C18 | 122.8° | 119.9° |
| C37 | C19 | C33 | H48 | 117.7° | 119.9° |
| C37 | C19 | C18 | H48 | 120.0° | 120.3° |
| C37 | C19 | C18 | C20 | 64.2° | 37.8° |
| C37 | C19 | C18 | N7 | 168.7° | 157.8° |
| C37 | C19 | C18 | H47 | 52.6° | 82.2° |
| C37 | C19 | C33 | H63 | 176.7° | 62.9° |
| C37 | C19 | C33 | H64 | 63.3° | 176.9° |
| C19 | C37 | C36 | H68 | 178.3° | 177.6° |
| C19 | C37 | C36 | H67 | 62.3° | 62.3° |
| C19 | C37 | H70 | H69 | 119.8° | 120.2° |
| C34 | C33 | C19 | H63 | 120.0° | 119.9° |
| C34 | C33 | C19 | H64 | 120.0° | 119.9° |
| C34 | C33 | C19 | C18 | 179.5° | 176.8° |
| C34 | C33 | C19 | H48 | 61.0° | 62.9° |
| C33 | C34 | H65 | H66 | 119.3° | 120.0° |
| C34 | C33 | H63 | H64 | 119.8° | 120.2° |
| C33 | C19 | C18 | H48 | 119.6° | 120.2° |
| C33 | C19 | C18 | C20 | 175.3° | 157.3° |
| C33 | C19 | C18 | N7 | 48.2° | 82.7° |
| C33 | C19 | C18 | H47 | 67.9° | 37.3° |
| C19 | C33 | C34 | H65 | 60.6° | 177.6° |
| C19 | C33 | C34 | H66 | 179.9° | 62.4° |
| C19 | C33 | H63 | H64 | 119.9° | 120.1° |
| C33 | C19 | C37 | H70 | 64.1° | 176.8° |
| C33 | C19 | C37 | H69 | 176.0° | 62.9° |
| C19 | C18 | C20 | C25 | 22.9° | 70.8° |
| C19 | C18 | C20 | C21 | 156.7° | 108.9° |
| C19 | C18 | C20 | N7 | 128.0° | 120.0° |
| C19 | C18 | C20 | H47 | 116.7° | 120.1° |
| C19 | C18 | N7 | H47 | 115.9° | 120.0° |
| C19 | C18 | N7 | C4 | 107.0° | 133.2° |
| C19 | C18 | N7 | C8 | 66.7° | 46.8° |
| C18 | C19 | C33 | H63 | 60.4° | 56.9° |
| C18 | C19 | C33 | H64 | 59.5° | 63.3° |
| C18 | C19 | C37 | H70 | 58.3° | 63.3° |
| C18 | C19 | C37 | H69 | 61.6° | 57.0° |
| C23 | C24 | C25 | H52 | 180.0° | 179.7° |
| C24 | C23 | C22 | H51 | 180.0° | 180.0° |
| C23 | C24 | C25 | C20 | 1.2° | 0.6° |
| C24 | C23 | C22 | C21 | 0.0° | 0.0° |
| C24 | C23 | C22 | H50 | 180.0° | 180.0° |
| C23 | C24 | C25 | H53 | 178.8° | 180.0° |
| C25 | C24 | C23 | C22 | 0.4° | 0.3° |
| C24 | C25 | C20 | H53 | 180.0° | 179.4° |
| C24 | C25 | C20 | C21 | 1.5° | 0.6° |
| C24 | C25 | C20 | C18 | 178.9° | 179.7° |
| C25 | C24 | C23 | H51 | 179.6° | 179.7° |
| C23 | C22 | C21 | H50 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 0.3° | 0.0° |
| C23 | C22 | C21 | H49 | 179.7° | 180.0° |
| C22 | C23 | C24 | H52 | 179.6° | 180.0° |
| C25 | C20 | C21 | C22 | 1.0° | 0.3° |
| C25 | C20 | C21 | C18 | 179.6° | 179.7° |
| C25 | C20 | C18 | N7 | 105.1° | 49.2° |
| C25 | C20 | C18 | H47 | 139.6° | 169.1° |
| C25 | C20 | C21 | H49 | 179.0° | 179.7° |
| C20 | C25 | C24 | H52 | 178.9° | 179.7° |
| O17 | C15 | C2 | C3 | 16.7° | 30.0° |
| O17 | C15 | C16 | C32 | 116.5° | 120.0° |
| O17 | C15 | C16 | C2 | 120.6° | 120.0° |
| O17 | C15 | C32 | C2 | 119.8° | 120.0° |
| O17 | C15 | C2 | C1 | 170.7° | 150.0° |
| O17 | C15 | C16 | H44 | 180.0° | 60.0° |
| O17 | C15 | C16 | H45 | 60.0° | 60.0° |
| O17 | C15 | C16 | H43 | 60.0° | 180.0° |
| O17 | C15 | C32 | H60 | 180.0° | 180.0° |
| O17 | C15 | C32 | H62 | 60.0° | 60.0° |
| O17 | C15 | C32 | H61 | 60.0° | 60.0° |
| C22 | C21 | C20 | H49 | 180.0° | 180.0° |
| C22 | C21 | C20 | C18 | 179.3° | 180.0° |
| C21 | C22 | C23 | H51 | 180.0° | 180.0° |
| C21 | C20 | C18 | N7 | 75.3° | 131.1° |
| C21 | C20 | C18 | H47 | 40.0° | 11.2° |
| C20 | C21 | C22 | H50 | 179.7° | 179.9° |
| C21 | C20 | C25 | H53 | 178.5° | 180.0° |
| C20 | C18 | N7 | H47 | 115.2° | 120.0° |
| C20 | C18 | N7 | C4 | 124.1° | 106.8° |
| C20 | C18 | N7 | C8 | 62.2° | 73.2° |
| C20 | C18 | C19 | H48 | 55.8° | 82.5° |
| C18 | C20 | C21 | H49 | 0.7° | 0.0° |
| C18 | C20 | C25 | H53 | 1.1° | 0.3° |
| C18 | N7 | C4 | C3 | 7.1° | 0.0° |
| C18 | N7 | C4 | C8 | 174.6° | 180.0° |
| C18 | N7 | C4 | C5 | 174.1° | 180.0° |
| C18 | N7 | C8 | C10 | 9.5° | 0.0° |
| C18 | N7 | C8 | C9 | 173.8° | 180.0° |
| N7 | C18 | C19 | H48 | 71.3° | 37.5° |
| C4 | C3 | C2 | H39 | 180.0° | 180.0° |
| C4 | C3 | C2 | C15 | 170.2° | 180.0° |
| C3 | C4 | N7 | C5 | 178.8° | 180.0° |
| C3 | C4 | N7 | C8 | 178.3° | 180.0° |
| C4 | C3 | C2 | C1 | 2.4° | 0.0° |
| C3 | C4 | C5 | C9 | 178.9° | 180.0° |
| C3 | C4 | C5 | C6 | 1.3° | 0.0° |
| C3 | C2 | C15 | C16 | 135.7° | 150.0° |
| C3 | C2 | C15 | C32 | 101.4° | 90.0° |
| C3 | C2 | C15 | C1 | 172.7° | 180.0° |
| C2 | C3 | C4 | N7 | 178.1° | 180.0° |
| C2 | C3 | C4 | C5 | 0.5° | 0.0° |
| C3 | C2 | C1 | C6 | 2.6° | 0.0° |
| C3 | C2 | C1 | H38 | 177.4° | 180.0° |
| C16 | C15 | C32 | C2 | 123.5° | 120.0° |
| C16 | C15 | C2 | C1 | 51.6° | 30.0° |
| C15 | C16 | H44 | H45 | 120.0° | 120.1° |
| C15 | C16 | H44 | H43 | 120.0° | 120.0° |
| C15 | C16 | H45 | H43 | 120.0° | 120.1° |
| C16 | C15 | O17 | H46 | 180.0° | 60.0° |
| C16 | C15 | C32 | H60 | 63.3° | 60.0° |
| C16 | C15 | C32 | H62 | 56.7° | 180.0° |
| C16 | C15 | C32 | H61 | 176.7° | 60.0° |
| C32 | C15 | C2 | C1 | 71.3° | 90.0° |
| C32 | C15 | C16 | H44 | 63.5° | 60.0° |
| C32 | C15 | C16 | H45 | 176.5° | 179.9° |
| C32 | C15 | C16 | H43 | 56.5° | 60.0° |
| C32 | C15 | O17 | H46 | 61.4° | 60.0° |
| C15 | C32 | H60 | H62 | 120.0° | 120.0° |
| C15 | C32 | H60 | H61 | 120.0° | 120.0° |
| C15 | C32 | H62 | H61 | 120.0° | 120.0° |
| C15 | C2 | C1 | C6 | 170.2° | 180.0° |
| C2 | C15 | C16 | H44 | 59.5° | 180.0° |
| C2 | C15 | C16 | H45 | 60.6° | 60.0° |
| C2 | C15 | C16 | H43 | 179.5° | 60.0° |
| C15 | C2 | C1 | H38 | 9.8° | 0.0° |
| C15 | C2 | C3 | H39 | 9.8° | 0.0° |
| C2 | C15 | O17 | H46 | 58.7° | 180.0° |
| C2 | C15 | C32 | H60 | 60.2° | 60.0° |
| C2 | C15 | C32 | H62 | 179.8° | 60.0° |
| C2 | C15 | C32 | H61 | 59.8° | 180.0° |
| C4 | N7 | C8 | C10 | 175.8° | 180.0° |
| C4 | N7 | C8 | C9 | 0.9° | 0.0° |
| N7 | C4 | C5 | C9 | 0.0° | 0.0° |
| N7 | C4 | C5 | C6 | 179.8° | 180.0° |
| C4 | N7 | C18 | H47 | 8.9° | 13.2° |
| N7 | C4 | C3 | H39 | 1.9° | 0.0° |
| C8 | N7 | C4 | C5 | 0.5° | 0.0° |
| N7 | C8 | C10 | C9 | 176.5° | 180.0° |
| N7 | C8 | C10 | C11 | 175.7° | 180.0° |
| N7 | C8 | C9 | C5 | 0.9° | 0.0° |
| N7 | C8 | C9 | N13 | 177.9° | 179.7° |
| C8 | N7 | C18 | H47 | 177.4° | 166.8° |
| N7 | C8 | C10 | H41 | 4.3° | 0.0° |
| C4 | C5 | C9 | C8 | 0.6° | 0.1° |
| C4 | C5 | C6 | C1 | 1.1° | 0.0° |
| C4 | C5 | C9 | C6 | 179.8° | 179.9° |
| C4 | C5 | C9 | N13 | 177.3° | 179.6° |
| C5 | C4 | C3 | H39 | 179.4° | 180.0° |
| C4 | C5 | C6 | H40 | 178.8° | 180.0° |
| C2 | C1 | C6 | H38 | 180.0° | 179.9° |
| C2 | C1 | C6 | C5 | 0.8° | 0.0° |
| C1 | C2 | C3 | H39 | 177.5° | 180.0° |
| C2 | C1 | C6 | H40 | 179.2° | 179.9° |
| C8 | C10 | C11 | H41 | 180.0° | 180.0° |
| C10 | C8 | C9 | C5 | 176.3° | 180.0° |
| C10 | C8 | C9 | N13 | 0.6° | 0.3° |
| C8 | C10 | C11 | C14 | 173.4° | 180.0° |
| C8 | C10 | C11 | C12 | 1.7° | 0.3° |
| C9 | C8 | C10 | C11 | 0.7° | 0.0° |
| C8 | C9 | C5 | N13 | 176.8° | 179.6° |
| C8 | C9 | C5 | C6 | 179.7° | 180.0° |
| C8 | C9 | N13 | C12 | 1.0° | 0.4° |
| C9 | C8 | C10 | H41 | 179.3° | 180.0° |
| C10 | C11 | C14 | C26 | 38.8° | 56.8° |
| C10 | C11 | C14 | C12 | 174.9° | 179.6° |
| C10 | C11 | C14 | N29 | 139.4° | 123.0° |
| C10 | C11 | C12 | N13 | 1.4° | 0.3° |
| C10 | C11 | C12 | H42 | 178.6° | 179.7° |
| C31 | C26 | N27 | C14 | 179.0° | 180.0° |
| C31 | C26 | C14 | C11 | 0.0° | 0.0° |
| C31 | C26 | N27 | N28 | 178.1° | 180.0° |
| C31 | C26 | C14 | N29 | 178.4° | 179.8° |
| C26 | C31 | H59 | H57 | 120.0° | 120.0° |
| C26 | C31 | H59 | H58 | 120.0° | 119.9° |
| C26 | C31 | H57 | H58 | 120.0° | 119.9° |
| C1 | C6 | C5 | C9 | 179.1° | 179.9° |
| C1 | C6 | C5 | H40 | 180.0° | 180.0° |
| C5 | C9 | N13 | C12 | 175.3° | 179.9° |
| C9 | C5 | C6 | H40 | 0.9° | 0.1° |
| C6 | C5 | C9 | N13 | 2.9° | 0.5° |
| C5 | C6 | C1 | H38 | 179.2° | 180.0° |
| C9 | N13 | C12 | C11 | 0.0° | 0.0° |
| C9 | N13 | C12 | H42 | 180.0° | 180.0° |
| N27 | C26 | C14 | C11 | 178.9° | 180.0° |
| N27 | C26 | C14 | N29 | 0.5° | 0.2° |
| C26 | N27 | N28 | N29 | 1.1° | 0.2° |
| N27 | C26 | C31 | H59 | 0.0° | 91.2° |
| N27 | C26 | C31 | H57 | 120.0° | 148.7° |
| N27 | C26 | C31 | H58 | 120.0° | 28.8° |
| C26 | C14 | C11 | N29 | 178.2° | 179.8° |
| C26 | C14 | C11 | C12 | 136.1° | 123.6° |
| C14 | C26 | N27 | N28 | 1.0° | 0.0° |
| C26 | C14 | N29 | N28 | 0.2° | 0.4° |
| C26 | C14 | N29 | C30 | 179.2° | 179.8° |
| C14 | C26 | C31 | H59 | 178.8° | 88.7° |
| C14 | C26 | C31 | H57 | 61.2° | 31.3° |
| C14 | C26 | C31 | H58 | 58.8° | 151.3° |
| C14 | C11 | C12 | N13 | 173.7° | 179.9° |
| C11 | C14 | N29 | N28 | 178.4° | 179.8° |
| C11 | C14 | N29 | C30 | 0.7° | 0.0° |
| C14 | C11 | C12 | H42 | 6.3° | 0.0° |
| C14 | C11 | C10 | H41 | 6.6° | 0.0° |
| C12 | C11 | C14 | N29 | 45.7° | 56.6° |
| C11 | C12 | N13 | H42 | 180.0° | 180.0° |
| C12 | C11 | C10 | H41 | 178.3° | 179.7° |
| N27 | N28 | N29 | C14 | 0.8° | 0.4° |
| N27 | N28 | N29 | C30 | 179.9° | 179.7° |
| C14 | N29 | N28 | C30 | 179.2° | 179.9° |
| C14 | N29 | C30 | H55 | 179.0° | 90.0° |
| C14 | N29 | C30 | H54 | 59.0° | 150.0° |
| C14 | N29 | C30 | H56 | 61.0° | 30.0° |
| N28 | N29 | C30 | H55 | 0.0° | 89.9° |
| N28 | N29 | C30 | H54 | 120.0° | 30.1° |
| N28 | N29 | C30 | H56 | 120.0° | 150.2° |
| N29 | C30 | H55 | H54 | 120.0° | 120.0° |
| N29 | C30 | H55 | H56 | 120.0° | 120.0° |
| N29 | C30 | H54 | H56 | 120.0° | 120.0° |
| H47 | C18 | C19 | H48 | 172.6° | 157.5° |
| H44 | C16 | H45 | H43 | 120.0° | 119.9° |
| H48 | C19 | C33 | H63 | 59.0° | 177.1° |
| H48 | C19 | C33 | H64 | 178.9° | 57.0° |
| H48 | C19 | C37 | H70 | 178.1° | 57.0° |
| H48 | C19 | C37 | H69 | 58.3° | 177.2° |
| H49 | C21 | C22 | H50 | 0.3° | 0.0° |
| H50 | C22 | C23 | H51 | 0.0° | 0.1° |
| H51 | C23 | C24 | H52 | 0.4° | 0.0° |
| H52 | C24 | C25 | H53 | 1.1° | 0.2° |
| H65 | C34 | C33 | H63 | 59.4° | 57.7° |
| H65 | C34 | C33 | H64 | 179.3° | 62.5° |
| H66 | C34 | C33 | H63 | 60.1° | 177.7° |
| H66 | C34 | C33 | H64 | 59.8° | 57.4° |
| H38 | C1 | C6 | H40 | 0.8° | 0.0° |
| H55 | C30 | H54 | H56 | 120.0° | 119.9° |
| H59 | C31 | H57 | H58 | 120.0° | 120.0° |
| H60 | C32 | H62 | H61 | 120.0° | 120.0° |
| H68 | C36 | C37 | H70 | 58.2° | 62.4° |
| H68 | C36 | C37 | H69 | 61.6° | 57.7° |
| H67 | C36 | C37 | H70 | 177.6° | 57.6° |
| H67 | C36 | C37 | H69 | 57.8° | 177.7° |
