XVL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C3 | sing | 1.53Å | 1.50Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C4 | sing | 1.51Å | 1.49Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | N40 | sing | 1.32Å | 1.32Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.50Å | |
| C6 | C30 | doub | 1.40Å | 1.37Å | Aromatic |
| C7 | O8 | doub | 1.22Å | 1.28Å | |
| C7 | N9 | sing | 1.35Å | 1.37Å | |
| N9 | C10 | sing | 1.47Å | 1.45Å | |
| N9 | C29 | sing | 1.47Å | 1.51Å | |
| C10 | C11 | sing | 1.51Å | 1.44Å | |
| C11 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C29 | sing | 1.51Å | 1.47Å | |
| C13 | C14 | doub | 1.38Å | 1.43Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.43Å | Aromatic |
| C15 | C16 | doub | 1.40Å | 1.41Å | Aromatic |
| C15 | C17 | sing | 1.48Å | 1.42Å | |
| C17 | O18 | doub | 1.22Å | 1.32Å | |
| C17 | N19 | sing | 1.35Å | 1.42Å | |
| N19 | C20 | sing | 1.47Å | 1.47Å | |
| N19 | C24 | sing | 1.48Å | 1.55Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.51Å | 1.43Å | |
| C22 | C23 | doub | 1.35Å | 1.40Å | Aromatic |
| C22 | O27 | sing | 1.33Å | 1.41Å | Aromatic |
| C23 | C24 | sing | 1.50Å | 1.47Å | |
| C23 | C25 | sing | 1.41Å | 1.45Å | Aromatic |
| C25 | N26 | doub | 1.31Å | 1.32Å | Aromatic |
| C25 | O28 | sing | 1.36Å | 1.27Å | |
| N26 | O27 | sing | 1.21Å | 1.49Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.44Å | Aromatic |
| C31 | O32 | sing | 1.36Å | 1.37Å | |
| C31 | N40 | doub | 1.32Å | 1.34Å | Aromatic |
| O32 | C33 | sing | 1.43Å | 1.48Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C34 | C35 | sing | 1.53Å | 1.50Å | |
| C34 | C39 | sing | 1.53Å | 1.58Å | |
| C35 | C36 | sing | 1.53Å | 1.58Å | |
| C36 | O37 | sing | 1.43Å | 1.39Å | |
| O37 | C38 | sing | 1.43Å | 1.40Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C10 | H47 | sing | 1.09Å | 1.10Å | |
| C10 | H48 | sing | 1.09Å | 1.10Å | |
| C13 | H49 | sing | 1.08Å | 1.08Å | |
| C16 | H51 | sing | 1.08Å | 1.08Å | |
| C20 | H52 | sing | 1.09Å | 1.10Å | |
| C20 | H53 | sing | 1.09Å | 1.10Å | |
| C21 | H54 | sing | 1.09Å | 1.10Å | |
| C21 | H55 | sing | 1.09Å | 1.10Å | |
| C24 | H57 | sing | 1.09Å | 1.10Å | |
| C24 | H56 | sing | 1.09Å | 1.10Å | |
| C1 | H41 | sing | 1.09Å | 1.10Å | |
| C1 | H42 | sing | 1.09Å | 1.10Å | |
| C2 | H43 | sing | 1.09Å | 1.10Å | |
| C3 | H44 | sing | 1.09Å | 1.10Å | |
| C3 | H45 | sing | 1.09Å | 1.10Å | |
| C5 | H46 | sing | 1.08Å | 1.08Å | |
| C14 | H50 | sing | 1.08Å | 1.08Å | |
| O28 | H58 | sing | 0.97Å | 0.95Å | |
| C29 | H60 | sing | 1.09Å | 1.10Å | |
| C29 | H59 | sing | 1.09Å | 1.10Å | |
| C30 | H61 | sing | 1.08Å | 1.08Å | |
| C33 | H63 | sing | 1.09Å | 1.10Å | |
| C33 | H62 | sing | 1.09Å | 1.10Å | |
| C34 | H64 | sing | 1.09Å | 1.10Å | |
| C35 | H66 | sing | 1.09Å | 1.10Å | |
| C35 | H65 | sing | 1.09Å | 1.10Å | |
| C36 | H67 | sing | 1.09Å | 1.10Å | |
| C36 | H68 | sing | 1.09Å | 1.10Å | |
| C38 | H70 | sing | 1.09Å | 1.10Å | |
| C38 | H69 | sing | 1.09Å | 1.10Å | |
| C39 | H72 | sing | 1.09Å | 1.10Å | |
| C39 | H71 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 60.5° | 60.0° |
| C1 | C2 | C3 | 58.9° | 60.0° |
| C1 | C2 | C4 | 124.7° | 117.5° |
| C2 | C1 | H41 | 119.9° | 117.5° |
| C2 | C1 | H42 | 119.9° | 117.5° |
| C1 | C2 | H43 | 113.4° | 117.5° |
| C1 | C3 | C2 | 60.7° | 60.0° |
| C3 | C1 | H41 | 119.9° | 117.5° |
| C3 | C1 | H42 | 119.9° | 117.5° |
| C1 | C3 | H44 | 119.9° | 117.5° |
| C1 | C3 | H45 | 119.9° | 117.5° |
| C3 | C2 | C4 | 121.4° | 117.4° |
| C3 | C2 | H43 | 113.4° | 117.5° |
| C2 | C3 | H44 | 119.9° | 117.4° |
| C2 | C3 | H45 | 119.9° | 117.5° |
| C2 | C4 | C5 | 120.4° | 119.5° |
| C2 | C4 | N40 | 115.4° | 119.5° |
| C4 | C2 | H43 | 114.0° | 115.6° |
| C5 | C4 | N40 | 124.2° | 121.0° |
| C4 | C5 | C6 | 119.5° | 119.2° |
| C4 | C5 | H46 | 120.2° | 120.4° |
| C4 | N40 | C31 | 115.8° | 122.0° |
| C5 | C6 | C7 | 117.7° | 120.9° |
| C5 | C6 | C30 | 119.0° | 118.2° |
| C6 | C5 | H46 | 120.3° | 120.4° |
| C7 | C6 | C30 | 123.2° | 120.9° |
| C6 | C7 | O8 | 119.3° | 120.0° |
| C6 | C7 | N9 | 123.3° | 120.0° |
| C6 | C30 | C31 | 116.0° | 118.9° |
| C6 | C30 | H61 | 122.0° | 120.5° |
| O8 | C7 | N9 | 117.1° | 120.0° |
| C7 | N9 | C10 | 125.9° | 126.6° |
| C7 | N9 | C29 | 121.4° | 126.5° |
| C10 | N9 | C29 | 111.7° | 106.9° |
| N9 | C10 | C11 | 104.7° | 107.8° |
| N9 | C10 | H47 | 110.6° | 109.8° |
| N9 | C10 | H48 | 110.7° | 109.8° |
| N9 | C29 | C12 | 100.2° | 107.7° |
| N9 | C29 | H60 | 111.7° | 109.8° |
| N9 | C29 | H59 | 111.7° | 109.8° |
| C10 | C11 | C12 | 109.5° | 108.8° |
| C10 | C11 | C16 | 127.5° | 131.1° |
| C11 | C10 | H47 | 110.6° | 109.8° |
| C11 | C10 | H48 | 110.7° | 109.8° |
| C12 | C11 | C16 | 123.0° | 120.1° |
| C11 | C12 | C13 | 121.6° | 120.1° |
| C11 | C12 | C29 | 112.8° | 108.8° |
| C11 | C16 | C15 | 115.0° | 120.0° |
| C11 | C16 | H51 | 122.5° | 120.0° |
| C13 | C12 | C29 | 125.6° | 131.0° |
| C12 | C13 | C14 | 117.6° | 120.3° |
| C12 | C13 | H49 | 121.2° | 119.9° |
| C12 | C29 | H60 | 111.7° | 109.8° |
| C12 | C29 | H59 | 111.7° | 109.8° |
| C13 | C14 | C15 | 119.4° | 119.8° |
| C14 | C13 | H49 | 121.2° | 119.8° |
| C13 | C14 | H50 | 120.3° | 120.1° |
| C14 | C15 | C16 | 123.4° | 119.7° |
| C14 | C15 | C17 | 116.1° | 120.2° |
| C15 | C14 | H50 | 120.3° | 120.1° |
| C16 | C15 | C17 | 120.5° | 120.2° |
| C15 | C16 | H51 | 122.5° | 120.0° |
| C15 | C17 | O18 | 118.4° | 120.0° |
| C15 | C17 | N19 | 119.0° | 120.0° |
| O18 | C17 | N19 | 122.7° | 119.9° |
| C17 | N19 | C20 | 124.1° | 120.9° |
| C17 | N19 | C24 | 121.1° | 120.8° |
| C20 | N19 | C24 | 114.9° | 118.3° |
| N19 | C20 | C21 | 109.0° | 109.4° |
| N19 | C20 | H52 | 109.6° | 109.5° |
| N19 | C20 | H53 | 109.6° | 109.5° |
| N19 | C24 | C23 | 107.9° | 107.0° |
| N19 | C24 | H57 | 109.8° | 110.0° |
| N19 | C24 | H56 | 109.8° | 110.0° |
| C20 | C21 | C22 | 111.7° | 108.7° |
| C21 | C20 | H52 | 109.6° | 109.5° |
| C21 | C20 | H53 | 109.6° | 109.5° |
| C20 | C21 | H54 | 108.9° | 109.6° |
| C20 | C21 | H55 | 108.9° | 109.6° |
| C21 | C22 | C23 | 123.9° | 124.2° |
| C21 | C22 | O27 | 126.1° | 129.4° |
| C22 | C21 | H54 | 108.9° | 109.5° |
| C22 | C21 | H55 | 108.9° | 109.6° |
| C23 | C22 | O27 | 109.9° | 106.4° |
| C22 | C23 | C24 | 124.3° | 124.6° |
| C22 | C23 | C25 | 104.6° | 104.7° |
| C22 | O27 | N26 | 106.7° | 111.5° |
| C24 | C23 | C25 | 131.0° | 130.6° |
| C23 | C24 | H57 | 109.9° | 109.9° |
| C23 | C24 | H56 | 109.9° | 109.9° |
| C23 | C25 | N26 | 113.1° | 105.8° |
| C23 | C25 | O28 | 118.3° | 127.1° |
| N26 | C25 | O28 | 128.7° | 127.1° |
| C25 | N26 | O27 | 105.9° | 111.6° |
| C25 | O28 | H58 | 109.5° | 114.0° |
| C30 | C31 | O32 | 113.9° | 119.6° |
| C30 | C31 | N40 | 125.6° | 120.8° |
| C31 | C30 | H61 | 122.0° | 120.6° |
| O32 | C31 | N40 | 120.5° | 119.6° |
| C31 | O32 | C33 | 114.6° | 117.0° |
| O32 | C33 | C34 | 104.9° | 109.4° |
| O32 | C33 | H63 | 110.6° | 109.4° |
| O32 | C33 | H62 | 110.6° | 109.5° |
| C33 | C34 | C35 | 107.2° | 109.5° |
| C33 | C34 | C39 | 111.5° | 109.5° |
| C34 | C33 | H63 | 110.6° | 109.5° |
| C34 | C33 | H62 | 110.6° | 109.5° |
| C33 | C34 | H64 | 109.4° | 109.5° |
| C35 | C34 | C39 | 110.3° | 109.1° |
| C34 | C35 | C36 | 111.2° | 109.1° |
| C35 | C34 | H64 | 109.7° | 109.6° |
| C34 | C35 | H66 | 109.0° | 109.6° |
| C34 | C35 | H65 | 109.1° | 109.5° |
| C34 | C39 | C38 | 106.6° | 109.1° |
| C39 | C34 | H64 | 108.7° | 109.6° |
| C34 | C39 | H72 | 110.2° | 109.5° |
| C34 | C39 | H71 | 110.2° | 109.5° |
| C35 | C36 | O37 | 112.5° | 109.4° |
| C36 | C35 | H66 | 109.0° | 109.5° |
| C36 | C35 | H65 | 109.0° | 109.5° |
| C35 | C36 | H67 | 108.7° | 109.5° |
| C35 | C36 | H68 | 108.7° | 109.5° |
| C36 | O37 | C38 | 112.6° | 114.1° |
| O37 | C36 | H67 | 108.7° | 109.5° |
| O37 | C36 | H68 | 108.7° | 109.5° |
| O37 | C38 | C39 | 112.1° | 109.4° |
| O37 | C38 | H70 | 108.8° | 109.5° |
| O37 | C38 | H69 | 108.8° | 109.5° |
| C39 | C38 | H70 | 108.8° | 109.5° |
| C39 | C38 | H69 | 108.8° | 109.5° |
| C38 | C39 | H72 | 110.2° | 109.6° |
| C38 | C39 | H71 | 110.2° | 109.5° |
| H47 | C10 | H48 | 109.5° | 109.8° |
| H52 | C20 | H53 | 109.5° | 109.5° |
| H54 | C21 | H55 | 109.5° | 109.8° |
| H57 | C24 | H56 | 109.5° | 109.9° |
| H41 | C1 | H42 | 109.5° | 115.6° |
| H44 | C3 | H45 | 109.5° | 115.6° |
| H60 | C29 | H59 | 109.5° | 109.9° |
| H63 | C33 | H62 | 109.5° | 109.5° |
| H66 | C35 | H65 | 109.5° | 109.6° |
| H67 | C36 | H68 | 109.5° | 109.5° |
| H70 | C38 | H69 | 109.5° | 109.5° |
| H72 | C39 | H71 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | H41 | 109.6° | 107.5° |
| C2 | C1 | C3 | H42 | 109.6° | 107.5° |
| C1 | C2 | C3 | C4 | 114.3° | 107.5° |
| C1 | C2 | C3 | H43 | 104.1° | 107.4° |
| C1 | C2 | C4 | H43 | 146.9° | 145.7° |
| C1 | C2 | C4 | C5 | 150.0° | 85.0° |
| C1 | C2 | C4 | N40 | 30.9° | 94.7° |
| C2 | C1 | H41 | H42 | 144.5° | 145.6° |
| C2 | C1 | C3 | H44 | 109.7° | 107.4° |
| C2 | C1 | C3 | H45 | 109.7° | 107.5° |
| C3 | C1 | H41 | H42 | 144.5° | 145.7° |
| C1 | C3 | H44 | H45 | 144.3° | 145.8° |
| C3 | C2 | C4 | H43 | 141.4° | 145.7° |
| C3 | C2 | C4 | C5 | 138.3° | 16.4° |
| C3 | C2 | C4 | N40 | 40.8° | 163.3° |
| C2 | C3 | H44 | H45 | 144.4° | 145.7° |
| C2 | C4 | C5 | N40 | 179.0° | 179.7° |
| C2 | C4 | C5 | C6 | 178.9° | 180.0° |
| C2 | C4 | N40 | C31 | 178.3° | 179.7° |
| C4 | C2 | C1 | H41 | 141.7° | 145.0° |
| C4 | C2 | C1 | H42 | 0.9° | 0.1° |
| C4 | C2 | C3 | H44 | 136.1° | 145.0° |
| C4 | C2 | C3 | H45 | 4.7° | 0.0° |
| C2 | C4 | C5 | H46 | 1.1° | 0.1° |
| C4 | C5 | C6 | H46 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 177.5° | 180.0° |
| C4 | C5 | C6 | C30 | 0.5° | 0.1° |
| C5 | C4 | N40 | C31 | 0.8° | 0.6° |
| C5 | C4 | C2 | H43 | 3.0° | 129.3° |
| N40 | C4 | C5 | C6 | 0.1° | 0.3° |
| C4 | N40 | C31 | C30 | 0.9° | 0.5° |
| C4 | N40 | C31 | O32 | 178.4° | 179.7° |
| N40 | C4 | C2 | H43 | 177.8° | 51.0° |
| N40 | C4 | C5 | H46 | 179.8° | 179.8° |
| C5 | C6 | C7 | C30 | 176.9° | 179.9° |
| C5 | C6 | C7 | O8 | 127.3° | 6.8° |
| C5 | C6 | C7 | N9 | 59.3° | 173.1° |
| C5 | C6 | C30 | C31 | 0.4° | 0.0° |
| C5 | C6 | C30 | H61 | 179.6° | 180.0° |
| C6 | C7 | O8 | N9 | 173.9° | 179.9° |
| C6 | C7 | N9 | C10 | 12.4° | 174.5° |
| C6 | C7 | N9 | C29 | 179.7° | 5.6° |
| C7 | C6 | C30 | C31 | 177.3° | 179.9° |
| C7 | C6 | C5 | H46 | 2.5° | 0.1° |
| C7 | C6 | C30 | H61 | 2.8° | 0.1° |
| C30 | C6 | C7 | O8 | 49.6° | 173.1° |
| C30 | C6 | C7 | N9 | 123.8° | 7.0° |
| C6 | C30 | C31 | H61 | 180.0° | 179.9° |
| C6 | C30 | C31 | O32 | 179.0° | 180.0° |
| C6 | C30 | C31 | N40 | 0.3° | 0.3° |
| C30 | C6 | C5 | H46 | 179.6° | 180.0° |
| O8 | C7 | N9 | C10 | 161.2° | 5.4° |
| O8 | C7 | N9 | C29 | 6.1° | 174.5° |
| C7 | N9 | C10 | C29 | 168.4° | 179.9° |
| C7 | N9 | C10 | C11 | 179.1° | 180.0° |
| C7 | N9 | C29 | C12 | 178.6° | 180.0° |
| C7 | N9 | C10 | H47 | 59.8° | 60.4° |
| C7 | N9 | C10 | H48 | 61.7° | 60.5° |
| C7 | N9 | C29 | H60 | 62.9° | 60.4° |
| C7 | N9 | C29 | H59 | 60.2° | 60.5° |
| N9 | C10 | C11 | H47 | 119.2° | 119.6° |
| N9 | C10 | C11 | H48 | 119.3° | 119.6° |
| N9 | C10 | C11 | C12 | 7.1° | 0.1° |
| N9 | C10 | C11 | C16 | 172.4° | 180.0° |
| C10 | N9 | C29 | C12 | 9.7° | 0.0° |
| N9 | C10 | H47 | H48 | 122.2° | 120.9° |
| C10 | N9 | C29 | H60 | 128.2° | 119.5° |
| C10 | N9 | C29 | H59 | 108.8° | 119.6° |
| C29 | N9 | C10 | C11 | 10.7° | 0.1° |
| N9 | C29 | C12 | C11 | 5.1° | 0.0° |
| N9 | C29 | C12 | C13 | 172.7° | 180.0° |
| N9 | C29 | C12 | H60 | 118.5° | 119.6° |
| N9 | C29 | C12 | H59 | 118.5° | 119.5° |
| C29 | N9 | C10 | H47 | 108.5° | 119.6° |
| C29 | N9 | C10 | H48 | 130.0° | 119.6° |
| N9 | C29 | H60 | H59 | 124.3° | 120.9° |
| C10 | C11 | C12 | C16 | 179.6° | 179.9° |
| C10 | C11 | C12 | C13 | 179.0° | 180.0° |
| C10 | C11 | C12 | C29 | 1.1° | 0.0° |
| C10 | C11 | C16 | C15 | 178.7° | 180.0° |
| C11 | C10 | H47 | H48 | 122.2° | 120.8° |
| C10 | C11 | C16 | H51 | 1.3° | 0.1° |
| C11 | C12 | C13 | C29 | 177.5° | 180.0° |
| C11 | C12 | C13 | C14 | 0.3° | 0.0° |
| C12 | C11 | C16 | C15 | 0.8° | 0.1° |
| C12 | C11 | C10 | H47 | 112.1° | 119.6° |
| C12 | C11 | C10 | H48 | 126.4° | 119.6° |
| C11 | C12 | C13 | H49 | 179.7° | 180.0° |
| C12 | C11 | C16 | H51 | 179.2° | 180.0° |
| C11 | C12 | C29 | H60 | 123.6° | 119.6° |
| C11 | C12 | C29 | H59 | 113.4° | 119.5° |
| C16 | C11 | C12 | C13 | 0.6° | 0.1° |
| C16 | C11 | C12 | C29 | 178.5° | 180.0° |
| C11 | C16 | C15 | C14 | 0.1° | 0.0° |
| C11 | C16 | C15 | H51 | 180.0° | 179.9° |
| C11 | C16 | C15 | C17 | 179.7° | 180.0° |
| C16 | C11 | C10 | H47 | 68.3° | 60.4° |
| C16 | C11 | C10 | H48 | 53.2° | 60.4° |
| C12 | C13 | C14 | H49 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 1.0° | 0.1° |
| C12 | C13 | C14 | H50 | 179.0° | 179.9° |
| C13 | C12 | C29 | H60 | 54.2° | 60.5° |
| C13 | C12 | C29 | H59 | 68.9° | 60.4° |
| C29 | C12 | C13 | C14 | 177.2° | 179.9° |
| C29 | C12 | C13 | H49 | 2.8° | 0.0° |
| C12 | C29 | H60 | H59 | 124.3° | 120.8° |
| C13 | C14 | C15 | H50 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.8° | 0.1° |
| C13 | C14 | C15 | C17 | 178.8° | 179.9° |
| C14 | C15 | C16 | C17 | 179.6° | 180.0° |
| C14 | C15 | C17 | O18 | 82.9° | 136.6° |
| C14 | C15 | C17 | N19 | 95.6° | 43.3° |
| C15 | C14 | C13 | H49 | 179.0° | 180.0° |
| C14 | C15 | C16 | H51 | 179.9° | 179.9° |
| C16 | C15 | C17 | O18 | 97.5° | 43.3° |
| C16 | C15 | C17 | N19 | 84.0° | 136.7° |
| C16 | C15 | C14 | H50 | 179.1° | 179.9° |
| C15 | C17 | O18 | N19 | 178.5° | 180.0° |
| C15 | C17 | N19 | C20 | 1.6° | 175.8° |
| C15 | C17 | N19 | C24 | 177.3° | 4.2° |
| C17 | C15 | C16 | H51 | 0.3° | 0.1° |
| C17 | C15 | C14 | H50 | 1.3° | 0.1° |
| O18 | C17 | N19 | C20 | 176.8° | 4.2° |
| O18 | C17 | N19 | C24 | 4.2° | 175.8° |
| C17 | N19 | C20 | C24 | 179.0° | 180.0° |
| C17 | N19 | C20 | C21 | 116.2° | 115.9° |
| C17 | N19 | C24 | C23 | 135.3° | 136.3° |
| C17 | N19 | C20 | H52 | 123.9° | 4.1° |
| C17 | N19 | C20 | H53 | 3.8° | 124.1° |
| C17 | N19 | C24 | H57 | 15.5° | 104.3° |
| C17 | N19 | C24 | H56 | 105.0° | 16.9° |
| N19 | C20 | C21 | H52 | 119.9° | 120.0° |
| N19 | C20 | C21 | H53 | 119.9° | 120.0° |
| N19 | C20 | C21 | C22 | 46.8° | 45.3° |
| C20 | N19 | C24 | C23 | 43.8° | 43.7° |
| N19 | C20 | H52 | H53 | 120.3° | 120.0° |
| N19 | C20 | C21 | H54 | 167.1° | 165.0° |
| N19 | C20 | C21 | H55 | 73.5° | 74.5° |
| C20 | N19 | C24 | H57 | 163.5° | 75.7° |
| C20 | N19 | C24 | H56 | 76.0° | 163.1° |
| C24 | N19 | C20 | C21 | 62.9° | 64.1° |
| N19 | C24 | C23 | C22 | 11.6° | 10.8° |
| N19 | C24 | C23 | H57 | 119.7° | 119.4° |
| N19 | C24 | C23 | H56 | 119.7° | 119.5° |
| N19 | C24 | C23 | C25 | 172.6° | 169.2° |
| C24 | N19 | C20 | H52 | 57.1° | 175.9° |
| C24 | N19 | C20 | H53 | 177.2° | 55.9° |
| N19 | C24 | H57 | H56 | 120.7° | 121.3° |
| C20 | C21 | C22 | H54 | 120.3° | 119.7° |
| C20 | C21 | C22 | H55 | 120.3° | 119.8° |
| C20 | C21 | C22 | C23 | 17.6° | 17.8° |
| C20 | C21 | C22 | O27 | 157.5° | 162.2° |
| C21 | C20 | H52 | H53 | 120.2° | 120.1° |
| C20 | C21 | H54 | H55 | 119.0° | 120.4° |
| C21 | C22 | C23 | O27 | 175.8° | 179.9° |
| C21 | C22 | C23 | C24 | 0.1° | 0.2° |
| C21 | C22 | C23 | C25 | 176.8° | 179.8° |
| C21 | C22 | O27 | N26 | 176.8° | 179.8° |
| C22 | C21 | C20 | H52 | 73.1° | 165.3° |
| C22 | C21 | C20 | H53 | 166.8° | 74.7° |
| C22 | C21 | H54 | H55 | 119.0° | 120.4° |
| C22 | C23 | C24 | C25 | 175.8° | 180.0° |
| C22 | C23 | C25 | N26 | 0.5° | 0.1° |
| C22 | C23 | C25 | O28 | 179.3° | 179.9° |
| C23 | C22 | O27 | N26 | 1.1° | 0.2° |
| C23 | C22 | C21 | H54 | 137.9° | 137.6° |
| C23 | C22 | C21 | H55 | 102.7° | 102.0° |
| C22 | C23 | C24 | H57 | 131.4° | 108.6° |
| C22 | C23 | C24 | H56 | 108.1° | 130.3° |
| O27 | C22 | C23 | C24 | 175.7° | 179.8° |
| O27 | C22 | C23 | C25 | 1.0° | 0.1° |
| C22 | O27 | N26 | C25 | 0.7° | 0.1° |
| O27 | C22 | C21 | H54 | 37.2° | 42.5° |
| O27 | C22 | C21 | H55 | 82.2° | 78.0° |
| C24 | C23 | C25 | N26 | 175.9° | 179.9° |
| C24 | C23 | C25 | O28 | 4.3° | 0.1° |
| C23 | C24 | H57 | H56 | 120.7° | 121.1° |
| C23 | C25 | N26 | O28 | 179.8° | 180.0° |
| C23 | C25 | N26 | O27 | 0.2° | 0.0° |
| C25 | C23 | C24 | H57 | 52.9° | 71.4° |
| C25 | C23 | C24 | H56 | 67.7° | 49.7° |
| C23 | C25 | O28 | H58 | 179.8° | 90.0° |
| N26 | C25 | O28 | H58 | 0.0° | 90.0° |
| O28 | C25 | N26 | O27 | 180.0° | 180.0° |
| C30 | C31 | O32 | N40 | 179.3° | 179.8° |
| C30 | C31 | O32 | C33 | 176.4° | 180.0° |
| C31 | O32 | C33 | C34 | 177.9° | 180.0° |
| O32 | C31 | C30 | H61 | 1.0° | 0.0° |
| C31 | O32 | C33 | H63 | 58.6° | 60.0° |
| C31 | O32 | C33 | H62 | 62.8° | 60.0° |
| N40 | C31 | O32 | C33 | 2.9° | 0.3° |
| N40 | C31 | C30 | H61 | 179.7° | 179.8° |
| O32 | C33 | C34 | H63 | 119.3° | 119.9° |
| O32 | C33 | C34 | H62 | 119.3° | 120.0° |
| O32 | C33 | C34 | C35 | 68.7° | 175.0° |
| O32 | C33 | C34 | C39 | 170.4° | 65.4° |
| O32 | C33 | H63 | H62 | 122.1° | 120.0° |
| O32 | C33 | C34 | H64 | 50.2° | 54.9° |
| C33 | C34 | C35 | C39 | 121.6° | 119.8° |
| C33 | C34 | C35 | H64 | 118.6° | 120.2° |
| C33 | C34 | C39 | H64 | 120.7° | 120.2° |
| C33 | C34 | C35 | C36 | 171.1° | 176.9° |
| C33 | C34 | C39 | C38 | 173.6° | 176.8° |
| C34 | C33 | H63 | H62 | 122.1° | 120.0° |
| C33 | C34 | C35 | H66 | 50.9° | 56.9° |
| C33 | C34 | C35 | H65 | 68.6° | 63.3° |
| C33 | C34 | C39 | H72 | 66.9° | 63.3° |
| C33 | C34 | C39 | H71 | 54.0° | 57.0° |
| C35 | C34 | C39 | H64 | 120.3° | 120.0° |
| C34 | C35 | C36 | H66 | 120.2° | 120.0° |
| C34 | C35 | C36 | H65 | 120.3° | 119.9° |
| C34 | C35 | C36 | O37 | 50.0° | 57.6° |
| C35 | C34 | C39 | C38 | 54.5° | 57.0° |
| C35 | C34 | C33 | H63 | 172.1° | 65.0° |
| C35 | C34 | C33 | H62 | 50.6° | 55.1° |
| C34 | C35 | H66 | H65 | 119.3° | 120.2° |
| C34 | C35 | C36 | H67 | 170.4° | 177.6° |
| C34 | C35 | C36 | H68 | 70.5° | 62.3° |
| C35 | C34 | C39 | H72 | 174.0° | 176.9° |
| C35 | C34 | C39 | H71 | 65.0° | 62.8° |
| C39 | C34 | C35 | C36 | 49.5° | 57.0° |
| C34 | C39 | C38 | O37 | 61.5° | 57.6° |
| C34 | C39 | C38 | H72 | 119.5° | 119.9° |
| C34 | C39 | C38 | H71 | 119.6° | 119.9° |
| C39 | C34 | C33 | H63 | 51.2° | 54.5° |
| C39 | C34 | C33 | H62 | 70.3° | 174.6° |
| C39 | C34 | C35 | H66 | 70.7° | 62.9° |
| C39 | C34 | C35 | H65 | 169.7° | 176.9° |
| C34 | C39 | C38 | H70 | 178.2° | 177.6° |
| C34 | C39 | C38 | H69 | 58.9° | 62.4° |
| C34 | C39 | H72 | H71 | 121.3° | 120.2° |
| C35 | C36 | O37 | H67 | 120.5° | 120.0° |
| C35 | C36 | O37 | H68 | 120.4° | 119.9° |
| C35 | C36 | O37 | C38 | 56.4° | 61.2° |
| C36 | C35 | C34 | H64 | 70.2° | 63.0° |
| C36 | C35 | H66 | H65 | 119.2° | 120.1° |
| C35 | C36 | H67 | H68 | 118.6° | 120.0° |
| C36 | O37 | C38 | C39 | 64.6° | 61.1° |
| O37 | C36 | C35 | H66 | 70.3° | 62.4° |
| O37 | C36 | C35 | H65 | 170.3° | 177.5° |
| O37 | C36 | H67 | H68 | 118.6° | 120.1° |
| C36 | O37 | C38 | H70 | 175.1° | 178.9° |
| C36 | O37 | C38 | H69 | 55.8° | 58.9° |
| O37 | C38 | C39 | H70 | 120.4° | 120.0° |
| O37 | C38 | C39 | H69 | 120.4° | 120.0° |
| C38 | O37 | C36 | H67 | 176.9° | 178.9° |
| C38 | O37 | C36 | H68 | 64.0° | 58.8° |
| O37 | C38 | H70 | H69 | 118.8° | 120.0° |
| O37 | C38 | C39 | H72 | 179.0° | 177.5° |
| O37 | C38 | C39 | H71 | 58.1° | 62.3° |
| C38 | C39 | C34 | H64 | 65.8° | 63.0° |
| C39 | C38 | H70 | H69 | 118.8° | 120.0° |
| C38 | C39 | H72 | H71 | 121.4° | 120.1° |
| H49 | C13 | C14 | H50 | 1.0° | 0.0° |
| H52 | C20 | C21 | H54 | 47.2° | 75.0° |
| H52 | C20 | C21 | H55 | 166.6° | 45.5° |
| H53 | C20 | C21 | H54 | 72.9° | 45.0° |
| H53 | C20 | C21 | H55 | 46.4° | 165.5° |
| H41 | C1 | C2 | H43 | 5.4° | 0.0° |
| H41 | C1 | C3 | H44 | 0.1° | 0.1° |
| H41 | C1 | C3 | H45 | 140.7° | 145.0° |
| H42 | C1 | C2 | H43 | 146.2° | 145.0° |
| H42 | C1 | C3 | H44 | 140.7° | 145.1° |
| H42 | C1 | C3 | H45 | 0.1° | 0.0° |
| H43 | C2 | C3 | H44 | 5.5° | 0.0° |
| H43 | C2 | C3 | H45 | 146.3° | 145.0° |
| H63 | C33 | C34 | H64 | 69.1° | 174.8° |
| H62 | C33 | C34 | H64 | 169.5° | 65.1° |
| H64 | C34 | C35 | H66 | 169.5° | 177.1° |
| H64 | C34 | C35 | H65 | 50.0° | 56.9° |
| H64 | C34 | C39 | H72 | 53.8° | 57.0° |
| H64 | C34 | C39 | H71 | 174.7° | 177.2° |
| H66 | C35 | C36 | H67 | 50.2° | 57.7° |
| H66 | C35 | C36 | H68 | 169.3° | 177.7° |
| H65 | C35 | C36 | H67 | 69.3° | 62.5° |
| H65 | C35 | C36 | H68 | 49.8° | 57.5° |
| H70 | C38 | C39 | H72 | 58.6° | 62.5° |
| H70 | C38 | C39 | H71 | 62.3° | 57.7° |
| H69 | C38 | C39 | H72 | 60.6° | 57.5° |
| H69 | C38 | C39 | H71 | 178.5° | 177.7° |
