L3T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C1 | doub | 1.40Å | 1.40Å | Aromatic |
| N2 | C1 | sing | 1.38Å | 1.34Å | Aromatic |
| C1 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | N2 | sing | 1.35Å | 1.34Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.34Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | C4 | sing | 1.46Å | 1.53Å | |
| C4 | C5 | sing | 1.48Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | C10 | sing | 1.49Å | 1.53Å | |
| C10 | O12 | doub | 1.22Å | 1.23Å | |
| N24 | C11 | sing | 1.35Å | 1.33Å | |
| O13 | C11 | doub | 1.21Å | 1.23Å | |
| C33 | N14 | doub | 1.32Å | 1.33Å | Aromatic |
| N14 | C32 | sing | 1.32Å | 1.33Å | Aromatic |
| C16 | N15 | sing | 1.46Å | 1.45Å | |
| N15 | C25 | sing | 1.35Å | 1.32Å | |
| N15 | HN15 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C18 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| CL23 | C18 | sing | 1.51Å | 1.74Å | |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| CL23 | HL23 | sing | 1.09Å | 1.10Å | |
| CL23 | HL2A | sing | 1.09Å | 1.10Å | |
| CL23 | HL2B | sing | 1.09Å | 1.10Å | |
| C36 | N24 | sing | 1.46Å | 1.47Å | |
| N24 | HN24 | sing | 0.97Å | 1.00Å | |
| O27 | C25 | doub | 1.21Å | 1.23Å | |
| C25 | C26 | sing | 1.51Å | 1.52Å | |
| C28 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | N29 | sing | 1.47Å | 1.45Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | C30 | sing | 1.51Å | 1.51Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| N29 | C35 | sing | 1.35Å | 1.32Å | |
| N29 | HN29 | sing | 0.97Å | 1.00Å | |
| C34 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.40Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| O37 | C35 | doub | 1.21Å | 1.23Å | |
| C35 | C36 | sing | 1.51Å | 1.51Å | |
| C38 | C36 | sing | 1.53Å | 1.54Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.51Å | 1.54Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| N40 | C39 | sing | 1.35Å | 1.33Å | |
| C39 | O41 | doub | 1.21Å | 1.23Å | |
| N40 | C42 | sing | 1.47Å | 1.48Å | |
| N40 | HN40 | sing | 0.97Å | 1.00Å | |
| C43 | C42 | sing | 1.53Å | 1.54Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H42A | sing | 1.09Å | 1.10Å | |
| C44 | C43 | sing | 1.53Å | 1.53Å | |
| C46 | C43 | sing | 1.53Å | 1.53Å | |
| C43 | C45 | sing | 1.53Å | 1.52Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C44 | H44B | sing | 1.09Å | 1.10Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å | |
| C45 | H45B | sing | 1.09Å | 1.10Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H46A | sing | 1.09Å | 1.10Å | |
| C46 | H46B | sing | 1.09Å | 1.10Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C1 | N2 | 108.0° | 107.7° |
| C5 | C1 | C9 | 119.5° | 119.3° |
| C1 | C5 | C4 | 104.9° | 105.8° |
| C1 | C5 | C6 | 121.2° | 120.2° |
| N2 | C1 | C9 | 132.5° | 133.0° |
| C1 | N2 | C3 | 109.4° | 110.7° |
| C1 | N2 | HN2 | 125.3° | 124.6° |
| C1 | C9 | C8 | 119.4° | 119.9° |
| C1 | C9 | H9 | 120.3° | 120.0° |
| N2 | C3 | C4 | 108.5° | 109.6° |
| N2 | C3 | H3 | 125.8° | 125.2° |
| C3 | N2 | HN2 | 125.3° | 124.7° |
| C4 | C3 | H3 | 125.7° | 125.2° |
| C3 | C4 | C10 | 125.3° | 126.9° |
| C3 | C4 | C5 | 109.1° | 106.2° |
| C10 | C4 | C5 | 125.2° | 126.9° |
| C4 | C10 | C11 | 122.8° | 120.0° |
| C4 | C10 | O12 | 118.7° | 120.0° |
| C4 | C5 | C6 | 133.9° | 134.0° |
| C5 | C6 | C7 | 119.2° | 119.7° |
| C5 | C6 | H6 | 120.4° | 120.1° |
| C7 | C6 | H6 | 120.4° | 120.2° |
| C6 | C7 | C8 | 120.1° | 120.2° |
| C6 | C7 | H7 | 120.0° | 119.9° |
| C8 | C7 | H7 | 119.9° | 119.9° |
| C7 | C8 | C9 | 120.7° | 120.7° |
| C7 | C8 | H8 | 119.7° | 119.7° |
| C9 | C8 | H8 | 119.7° | 119.7° |
| C8 | C9 | H9 | 120.3° | 120.0° |
| C11 | C10 | O12 | 117.8° | 120.0° |
| C10 | C11 | N24 | 118.3° | 120.0° |
| C10 | C11 | O13 | 119.3° | 120.0° |
| N24 | C11 | O13 | 122.4° | 119.9° |
| C11 | N24 | C36 | 121.8° | 120.1° |
| C11 | N24 | HN24 | 119.1° | 120.0° |
| C33 | N14 | C32 | 123.3° | 121.7° |
| N14 | C33 | C34 | 119.8° | 120.8° |
| N14 | C33 | H33 | 120.1° | 119.6° |
| N14 | C32 | C31 | 120.0° | 120.8° |
| N14 | C32 | H32 | 120.0° | 119.6° |
| C16 | N15 | C25 | 120.7° | 120.0° |
| C16 | N15 | HN15 | 119.7° | 119.9° |
| N15 | C16 | C17 | 109.4° | 109.5° |
| N15 | C16 | H16 | 109.5° | 109.4° |
| N15 | C16 | H16A | 109.5° | 109.5° |
| C25 | N15 | HN15 | 119.7° | 120.0° |
| N15 | C25 | O27 | 124.4° | 120.0° |
| N15 | C25 | C26 | 114.4° | 120.0° |
| C17 | C16 | H16 | 109.5° | 109.5° |
| C17 | C16 | H16A | 109.5° | 109.5° |
| C16 | C17 | C18 | 124.9° | 120.0° |
| C16 | C17 | C22 | 116.0° | 120.0° |
| H16 | C16 | H16A | 109.4° | 109.5° |
| C18 | C17 | C22 | 119.1° | 120.0° |
| C17 | C18 | CL23 | 121.3° | 119.9° |
| C17 | C18 | C19 | 119.8° | 120.0° |
| C17 | C22 | C21 | 120.8° | 120.0° |
| C17 | C22 | H22 | 119.6° | 120.0° |
| CL23 | C18 | C19 | 118.9° | 120.0° |
| C18 | CL23 | HL23 | 109.5° | 109.4° |
| C18 | CL23 | HL2A | 109.5° | 109.4° |
| C18 | CL23 | HL2B | 109.4° | 109.5° |
| C18 | C19 | C20 | 120.5° | 120.0° |
| C18 | C19 | H19 | 119.8° | 120.0° |
| C20 | C19 | H19 | 119.7° | 120.0° |
| C19 | C20 | C21 | 119.4° | 120.0° |
| C19 | C20 | H20 | 120.3° | 120.0° |
| C21 | C20 | H20 | 120.3° | 120.0° |
| C20 | C21 | C22 | 120.4° | 120.0° |
| C20 | C21 | H21 | 119.8° | 120.0° |
| C22 | C21 | H21 | 119.8° | 120.0° |
| C21 | C22 | H22 | 119.6° | 120.0° |
| HL23 | CL23 | HL2A | 109.4° | 109.5° |
| HL23 | CL23 | HL2B | 109.4° | 109.5° |
| HL2A | CL23 | HL2B | 109.5° | 109.5° |
| C36 | N24 | HN24 | 119.1° | 120.0° |
| N24 | C36 | C35 | 113.0° | 109.5° |
| N24 | C36 | C38 | 110.2° | 109.5° |
| N24 | C36 | H36 | 105.4° | 109.5° |
| O27 | C25 | C26 | 121.2° | 120.0° |
| C25 | C26 | C28 | 111.4° | 109.5° |
| C25 | C26 | N29 | 105.7° | 109.4° |
| C25 | C26 | H26 | 111.1° | 109.5° |
| C28 | C26 | N29 | 110.6° | 109.5° |
| C28 | C26 | H26 | 106.2° | 109.5° |
| C26 | C28 | C30 | 107.7° | 109.4° |
| C26 | C28 | H28 | 110.1° | 109.4° |
| C26 | C28 | H28A | 110.1° | 109.5° |
| N29 | C26 | H26 | 111.9° | 109.5° |
| C26 | N29 | C35 | 122.9° | 120.0° |
| C26 | N29 | HN29 | 118.5° | 120.1° |
| C30 | C28 | H28 | 110.1° | 109.5° |
| C30 | C28 | H28A | 110.1° | 109.5° |
| C28 | C30 | C34 | 119.7° | 120.8° |
| C28 | C30 | C31 | 120.0° | 120.8° |
| H28 | C28 | H28A | 108.9° | 109.5° |
| C35 | N29 | HN29 | 118.6° | 120.0° |
| N29 | C35 | O37 | 125.5° | 120.0° |
| N29 | C35 | C36 | 111.7° | 120.0° |
| C34 | C30 | C31 | 120.3° | 118.4° |
| C30 | C34 | C33 | 118.3° | 119.2° |
| C30 | C34 | H34 | 120.9° | 120.4° |
| C30 | C31 | C32 | 118.3° | 119.2° |
| C30 | C31 | H31 | 120.8° | 120.4° |
| C32 | C31 | H31 | 120.9° | 120.4° |
| C31 | C32 | H32 | 120.0° | 119.6° |
| C34 | C33 | H33 | 120.1° | 119.6° |
| C33 | C34 | H34 | 120.8° | 120.5° |
| O37 | C35 | C36 | 122.7° | 120.0° |
| C35 | C36 | C38 | 105.7° | 109.5° |
| C35 | C36 | H36 | 109.9° | 109.4° |
| C38 | C36 | H36 | 112.7° | 109.5° |
| C36 | C38 | C39 | 117.1° | 109.5° |
| C36 | C38 | H38 | 107.0° | 109.4° |
| C36 | C38 | H38A | 107.0° | 109.5° |
| C39 | C38 | H38 | 107.0° | 109.4° |
| C39 | C38 | H38A | 107.0° | 109.5° |
| C38 | C39 | N40 | 113.3° | 120.0° |
| C38 | C39 | O41 | 122.5° | 120.0° |
| H38 | C38 | H38A | 111.8° | 109.5° |
| N40 | C39 | O41 | 124.2° | 120.0° |
| C39 | N40 | C42 | 122.8° | 120.0° |
| C39 | N40 | HN40 | 118.6° | 120.0° |
| C42 | N40 | HN40 | 118.6° | 120.0° |
| N40 | C42 | C43 | 111.5° | 109.5° |
| N40 | C42 | H42 | 108.8° | 109.5° |
| N40 | C42 | H42A | 108.8° | 109.5° |
| C43 | C42 | H42 | 108.8° | 109.5° |
| C43 | C42 | H42A | 108.8° | 109.5° |
| C42 | C43 | C44 | 110.6° | 109.4° |
| C42 | C43 | C46 | 111.4° | 109.5° |
| C42 | C43 | C45 | 109.4° | 109.5° |
| H42 | C42 | H42A | 110.1° | 109.5° |
| C44 | C43 | C46 | 108.1° | 109.5° |
| C44 | C43 | C45 | 107.9° | 109.5° |
| C43 | C44 | H44 | 109.5° | 109.5° |
| C43 | C44 | H44A | 109.5° | 109.4° |
| C43 | C44 | H44B | 109.5° | 109.5° |
| C46 | C43 | C45 | 109.4° | 109.5° |
| C43 | C46 | H46 | 109.5° | 109.5° |
| C43 | C46 | H46A | 109.5° | 109.4° |
| C43 | C46 | H46B | 109.5° | 109.4° |
| C43 | C45 | H45 | 109.5° | 109.5° |
| C43 | C45 | H45A | 109.4° | 109.5° |
| C43 | C45 | H45B | 109.4° | 109.5° |
| H44 | C44 | H44A | 109.5° | 109.4° |
| H44 | C44 | H44B | 109.5° | 109.5° |
| H44A | C44 | H44B | 109.5° | 109.5° |
| H45 | C45 | H45A | 109.5° | 109.5° |
| H45 | C45 | H45B | 109.5° | 109.4° |
| H45A | C45 | H45B | 109.5° | 109.5° |
| H46 | C46 | H46A | 109.4° | 109.5° |
| H46 | C46 | H46B | 109.5° | 109.5° |
| H46A | C46 | H46B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C1 | N2 | C9 | 179.7° | 179.8° |
| C5 | C1 | N2 | C3 | 0.2° | 0.3° |
| C1 | C5 | C4 | C3 | 2.6° | 0.3° |
| C1 | C5 | C4 | C10 | 176.4° | 179.8° |
| C1 | C5 | C4 | C6 | 177.8° | 179.7° |
| C1 | C5 | C6 | C7 | 0.2° | 0.4° |
| C1 | C5 | C6 | H6 | 179.8° | 179.5° |
| C5 | C1 | C9 | C8 | 0.1° | 0.7° |
| C5 | C1 | C9 | H9 | 179.9° | 179.7° |
| C5 | C1 | N2 | HN2 | 179.8° | 179.8° |
| C1 | N2 | C3 | HN2 | 180.0° | 179.9° |
| C1 | N2 | C3 | C4 | 1.8° | 0.1° |
| C1 | N2 | C3 | H3 | 178.2° | 180.0° |
| N2 | C1 | C5 | C4 | 1.5° | 0.4° |
| N2 | C1 | C5 | C6 | 179.7° | 179.9° |
| N2 | C1 | C9 | C8 | 179.8° | 179.1° |
| N2 | C1 | C9 | H9 | 0.2° | 0.0° |
| C9 | C1 | N2 | C3 | 179.9° | 180.0° |
| C9 | C1 | C5 | C4 | 178.2° | 179.8° |
| C9 | C1 | C5 | C6 | 0.1° | 0.1° |
| C1 | C9 | C8 | C7 | 0.2° | 1.1° |
| C1 | C9 | C8 | H9 | 180.0° | 179.1° |
| C1 | C9 | C8 | H8 | 179.8° | 179.7° |
| C9 | C1 | N2 | HN2 | 0.1° | 0.0° |
| N2 | C3 | C4 | H3 | 180.0° | 179.9° |
| N2 | C3 | C4 | C10 | 176.5° | 180.0° |
| N2 | C3 | C4 | C5 | 2.8° | 0.2° |
| C3 | C4 | C10 | C5 | 172.7° | 179.8° |
| C3 | C4 | C5 | C6 | 179.5° | 179.9° |
| C3 | C4 | C10 | C11 | 20.4° | 0.1° |
| C3 | C4 | C10 | O12 | 149.9° | 180.0° |
| C4 | C3 | N2 | HN2 | 178.1° | 180.0° |
| H3 | C3 | C4 | C10 | 3.5° | 0.1° |
| H3 | C3 | C4 | C5 | 177.2° | 179.7° |
| H3 | C3 | N2 | HN2 | 1.9° | 0.1° |
| C10 | C4 | C5 | C6 | 5.8° | 0.1° |
| C4 | C10 | C11 | O12 | 170.4° | 180.0° |
| C4 | C10 | C11 | N24 | 173.8° | 180.0° |
| C4 | C10 | C11 | O13 | 9.2° | 0.0° |
| C4 | C5 | C6 | C7 | 177.7° | 179.9° |
| C4 | C5 | C6 | H6 | 2.2° | 0.1° |
| C5 | C4 | C10 | C11 | 166.9° | 179.7° |
| C5 | C4 | C10 | O12 | 22.8° | 0.2° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.1° | 0.0° |
| C5 | C6 | C7 | H7 | 179.9° | 179.9° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.1° | 0.8° |
| C6 | C7 | C8 | H8 | 179.9° | 180.0° |
| H6 | C6 | C7 | C8 | 179.8° | 179.9° |
| H6 | C6 | C7 | H7 | 0.2° | 0.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.2° |
| C7 | C8 | C9 | H9 | 179.8° | 179.9° |
| H7 | C7 | C8 | C9 | 179.9° | 179.2° |
| H7 | C7 | C8 | H8 | 0.1° | 0.1° |
| H8 | C8 | C9 | H9 | 0.2° | 0.6° |
| C10 | C11 | N24 | O13 | 176.9° | 180.0° |
| C10 | C11 | N24 | C36 | 179.2° | 175.6° |
| C10 | C11 | N24 | HN24 | 0.8° | 4.4° |
| O12 | C10 | C11 | N24 | 3.5° | 0.0° |
| O12 | C10 | C11 | O13 | 179.5° | 180.0° |
| C11 | N24 | C36 | HN24 | 180.0° | 180.0° |
| C11 | N24 | C36 | C35 | 98.1° | 90.2° |
| C11 | N24 | C36 | C38 | 143.8° | 149.8° |
| C11 | N24 | C36 | H36 | 21.9° | 29.7° |
| O13 | C11 | N24 | C36 | 3.9° | 4.4° |
| O13 | C11 | N24 | HN24 | 176.1° | 175.6° |
| N14 | C33 | C34 | C30 | 0.1° | 0.1° |
| C33 | N14 | C32 | C31 | 0.5° | 0.1° |
| C33 | N14 | C32 | H32 | 179.5° | 180.0° |
| N14 | C33 | C34 | H33 | 180.0° | 179.9° |
| N14 | C33 | C34 | H34 | 179.9° | 180.0° |
| N14 | C32 | C31 | C30 | 0.3° | 0.0° |
| N14 | C32 | C31 | H32 | 180.0° | 179.9° |
| N14 | C32 | C31 | H31 | 179.7° | 180.0° |
| C32 | N14 | C33 | C34 | 0.2° | 0.1° |
| C32 | N14 | C33 | H33 | 179.8° | 180.0° |
| C16 | N15 | C25 | HN15 | 180.0° | 179.9° |
| N15 | C16 | C17 | H16 | 120.0° | 120.0° |
| N15 | C16 | C17 | H16A | 120.0° | 120.0° |
| N15 | C16 | H16 | H16A | 120.0° | 120.0° |
| N15 | C16 | C17 | C18 | 73.0° | 80.2° |
| N15 | C16 | C17 | C22 | 106.7° | 100.0° |
| C16 | N15 | C25 | O27 | 2.0° | 0.0° |
| C16 | N15 | C25 | C26 | 179.0° | 180.0° |
| C25 | N15 | C16 | C17 | 109.0° | 180.0° |
| C25 | N15 | C16 | H16 | 131.0° | 60.0° |
| C25 | N15 | C16 | H16A | 11.0° | 59.9° |
| N15 | C25 | O27 | C26 | 176.8° | 180.0° |
| N15 | C25 | C26 | C28 | 106.9° | 60.0° |
| N15 | C25 | C26 | N29 | 132.9° | 180.0° |
| N15 | C25 | C26 | H26 | 11.3° | 60.0° |
| HN15 | N15 | C16 | C17 | 71.0° | 0.0° |
| HN15 | N15 | C16 | H16 | 49.0° | 120.0° |
| HN15 | N15 | C16 | H16A | 169.0° | 120.0° |
| HN15 | N15 | C25 | O27 | 178.0° | 180.0° |
| HN15 | N15 | C25 | C26 | 1.0° | 0.0° |
| C17 | C16 | H16 | H16A | 120.1° | 120.0° |
| C16 | C17 | C18 | C22 | 179.8° | 179.8° |
| C16 | C17 | C18 | CL23 | 1.4° | 0.0° |
| C16 | C17 | C18 | C19 | 179.4° | 180.0° |
| C16 | C17 | C22 | C21 | 179.6° | 179.8° |
| C16 | C17 | C22 | H22 | 0.4° | 0.1° |
| H16 | C16 | C17 | C18 | 47.0° | 39.7° |
| H16 | C16 | C17 | C22 | 133.3° | 140.0° |
| H16A | C16 | C17 | C18 | 166.9° | 159.7° |
| H16A | C16 | C17 | C22 | 13.3° | 20.0° |
| C17 | C18 | CL23 | C19 | 179.2° | 180.0° |
| C17 | C18 | C19 | C20 | 0.3° | 0.0° |
| C17 | C18 | C19 | H19 | 179.7° | 179.9° |
| C18 | C17 | C22 | C21 | 0.6° | 0.5° |
| C18 | C17 | C22 | H22 | 179.4° | 179.7° |
| C17 | C18 | CL23 | HL23 | 90.4° | 90.0° |
| C17 | C18 | CL23 | HL2A | 149.6° | 150.0° |
| C17 | C18 | CL23 | HL2B | 29.5° | 30.0° |
| C22 | C17 | C18 | CL23 | 178.4° | 179.8° |
| C22 | C17 | C18 | C19 | 0.8° | 0.2° |
| C17 | C22 | C21 | C20 | 0.2° | 0.4° |
| C17 | C22 | C21 | H22 | 180.0° | 179.8° |
| C17 | C22 | C21 | H21 | 179.8° | 179.8° |
| CL23 | C18 | C19 | C20 | 178.9° | 180.0° |
| CL23 | C18 | C19 | H19 | 1.1° | 0.0° |
| C18 | CL23 | HL23 | HL2A | 120.0° | 119.9° |
| C18 | CL23 | HL23 | HL2B | 120.0° | 120.0° |
| C18 | CL23 | HL2A | HL2B | 120.0° | 120.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.5° | 0.0° |
| C18 | C19 | C20 | H20 | 179.5° | 179.9° |
| C19 | C18 | CL23 | HL23 | 90.4° | 90.0° |
| C19 | C18 | CL23 | HL2A | 29.6° | 30.0° |
| C19 | C18 | CL23 | HL2B | 149.7° | 150.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.7° | 0.2° |
| C19 | C20 | C21 | H21 | 179.3° | 180.0° |
| H19 | C19 | C20 | C21 | 179.5° | 180.0° |
| H19 | C19 | C20 | H20 | 0.5° | 0.0° |
| C20 | C21 | C22 | H21 | 180.0° | 179.8° |
| C20 | C21 | C22 | H22 | 179.8° | 179.7° |
| H20 | C20 | C21 | C22 | 179.3° | 179.8° |
| H20 | C20 | C21 | H21 | 0.7° | 0.1° |
| H21 | C21 | C22 | H22 | 0.2° | 0.0° |
| HL23 | CL23 | HL2A | HL2B | 120.0° | 120.1° |
| N24 | C36 | C35 | N29 | 148.4° | 180.0° |
| N24 | C36 | C35 | O37 | 36.4° | 0.1° |
| N24 | C36 | C35 | C38 | 120.7° | 120.1° |
| N24 | C36 | C35 | H36 | 117.4° | 119.9° |
| N24 | C36 | C38 | H36 | 117.4° | 120.0° |
| N24 | C36 | C38 | C39 | 69.0° | 64.9° |
| N24 | C36 | C38 | H38 | 51.0° | 55.0° |
| N24 | C36 | C38 | H38A | 170.9° | 175.1° |
| HN24 | N24 | C36 | C35 | 81.9° | 89.8° |
| HN24 | N24 | C36 | C38 | 36.2° | 30.2° |
| HN24 | N24 | C36 | H36 | 158.1° | 150.2° |
| O27 | C25 | C26 | C28 | 76.0° | 120.0° |
| O27 | C25 | C26 | N29 | 44.2° | 0.0° |
| O27 | C25 | C26 | H26 | 165.8° | 120.0° |
| C25 | C26 | C28 | N29 | 117.2° | 119.9° |
| C25 | C26 | C28 | H26 | 121.2° | 120.0° |
| C25 | C26 | N29 | H26 | 121.1° | 120.0° |
| C25 | C26 | C28 | C30 | 165.2° | 175.0° |
| C25 | C26 | C28 | H28 | 74.8° | 65.0° |
| C25 | C26 | C28 | H28A | 45.2° | 55.0° |
| C25 | C26 | N29 | C35 | 113.9° | 155.0° |
| C25 | C26 | N29 | HN29 | 66.0° | 25.0° |
| C28 | C26 | N29 | H26 | 118.2° | 120.1° |
| C26 | C28 | C30 | H28 | 120.0° | 120.0° |
| C26 | C28 | C30 | H28A | 120.0° | 120.0° |
| C26 | C28 | H28 | H28A | 120.7° | 120.0° |
| C28 | C26 | N29 | C35 | 125.4° | 85.0° |
| C28 | C26 | N29 | HN29 | 54.6° | 95.0° |
| C26 | C28 | C30 | C34 | 81.8° | 90.0° |
| C26 | C28 | C30 | C31 | 97.8° | 90.0° |
| N29 | C26 | C28 | C30 | 77.6° | 65.0° |
| N29 | C26 | C28 | H28 | 42.4° | 55.0° |
| N29 | C26 | C28 | H28A | 162.4° | 175.0° |
| C26 | N29 | C35 | HN29 | 180.0° | 180.0° |
| C26 | N29 | C35 | O37 | 1.1° | 0.0° |
| C26 | N29 | C35 | C36 | 174.0° | 180.0° |
| H26 | C26 | C28 | C30 | 44.1° | 55.0° |
| H26 | C26 | C28 | H28 | 164.1° | 175.0° |
| H26 | C26 | C28 | H28A | 75.9° | 65.0° |
| H26 | C26 | N29 | C35 | 7.2° | 35.0° |
| H26 | C26 | N29 | HN29 | 172.9° | 144.9° |
| C30 | C28 | H28 | H28A | 120.7° | 120.0° |
| C28 | C30 | C34 | C31 | 179.6° | 180.0° |
| C28 | C30 | C31 | C32 | 179.6° | 180.0° |
| C28 | C30 | C31 | H31 | 0.4° | 0.0° |
| C28 | C30 | C34 | C33 | 179.8° | 180.0° |
| C28 | C30 | C34 | H34 | 0.2° | 0.0° |
| H28 | C28 | C30 | C34 | 158.2° | 150.0° |
| H28 | C28 | C30 | C31 | 22.2° | 30.0° |
| H28A | C28 | C30 | C34 | 38.2° | 30.0° |
| H28A | C28 | C30 | C31 | 142.2° | 150.0° |
| N29 | C35 | O37 | C36 | 174.6° | 180.0° |
| N29 | C35 | C36 | C38 | 90.9° | 60.0° |
| N29 | C35 | C36 | H36 | 31.0° | 60.0° |
| HN29 | N29 | C35 | O37 | 179.0° | 179.9° |
| HN29 | N29 | C35 | C36 | 5.9° | 0.0° |
| C34 | C30 | C31 | C32 | 0.0° | 0.0° |
| C34 | C30 | C31 | H31 | 180.0° | 180.0° |
| C30 | C34 | C33 | H34 | 180.0° | 179.9° |
| C30 | C34 | C33 | H33 | 179.8° | 180.0° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | H32 | 179.7° | 180.0° |
| C31 | C30 | C34 | C33 | 0.2° | 0.0° |
| C31 | C30 | C34 | H34 | 179.7° | 180.0° |
| H31 | C31 | C32 | H32 | 0.3° | 0.0° |
| H33 | C33 | C34 | H34 | 0.2° | 0.1° |
| O37 | C35 | C36 | C38 | 84.3° | 120.0° |
| O37 | C35 | C36 | H36 | 153.8° | 120.0° |
| C35 | C36 | C38 | H36 | 120.1° | 119.9° |
| C35 | C36 | C38 | C39 | 168.5° | 175.1° |
| C35 | C36 | C38 | H38 | 71.5° | 65.0° |
| C35 | C36 | C38 | H38A | 48.5° | 55.1° |
| C36 | C38 | C39 | H38 | 120.0° | 119.9° |
| C36 | C38 | C39 | H38A | 120.0° | 120.0° |
| C36 | C38 | H38 | H38A | 116.8° | 120.0° |
| C36 | C38 | C39 | N40 | 156.0° | 174.3° |
| C36 | C38 | C39 | O41 | 25.6° | 5.8° |
| H36 | C36 | C38 | C39 | 48.4° | 55.2° |
| H36 | C36 | C38 | H38 | 168.4° | 175.1° |
| H36 | C36 | C38 | H38A | 71.6° | 64.9° |
| C39 | C38 | H38 | H38A | 116.9° | 120.1° |
| C38 | C39 | N40 | O41 | 178.3° | 179.9° |
| C38 | C39 | N40 | C42 | 179.5° | 180.0° |
| C38 | C39 | N40 | HN40 | 0.5° | 0.1° |
| H38 | C38 | C39 | N40 | 36.0° | 54.4° |
| H38 | C38 | C39 | O41 | 145.7° | 125.7° |
| H38A | C38 | C39 | N40 | 84.0° | 65.7° |
| H38A | C38 | C39 | O41 | 94.4° | 114.2° |
| C39 | N40 | C42 | HN40 | 180.0° | 180.0° |
| C39 | N40 | C42 | C43 | 130.0° | 180.0° |
| C39 | N40 | C42 | H42 | 10.0° | 60.0° |
| C39 | N40 | C42 | H42A | 110.0° | 60.0° |
| O41 | C39 | N40 | C42 | 1.1° | 0.1° |
| O41 | C39 | N40 | HN40 | 178.8° | 180.0° |
| N40 | C42 | C43 | H42 | 120.0° | 120.0° |
| N40 | C42 | C43 | H42A | 120.0° | 120.0° |
| N40 | C42 | H42 | H42A | 119.2° | 120.0° |
| N40 | C42 | C43 | C44 | 57.3° | 60.0° |
| N40 | C42 | C43 | C46 | 62.9° | 180.0° |
| N40 | C42 | C43 | C45 | 176.0° | 60.0° |
| HN40 | N40 | C42 | C43 | 50.0° | 0.0° |
| HN40 | N40 | C42 | H42 | 170.0° | 120.0° |
| HN40 | N40 | C42 | H42A | 70.0° | 120.0° |
| C43 | C42 | H42 | H42A | 119.1° | 120.0° |
| C42 | C43 | C44 | C46 | 122.2° | 120.0° |
| C42 | C43 | C44 | C45 | 119.6° | 120.0° |
| C42 | C43 | C46 | C45 | 121.0° | 120.0° |
| C42 | C43 | C44 | H44 | 180.0° | 60.0° |
| C42 | C43 | C44 | H44A | 60.0° | 180.0° |
| C42 | C43 | C44 | H44B | 60.0° | 60.0° |
| C42 | C43 | C45 | H45 | 180.0° | 60.0° |
| C42 | C43 | C45 | H45A | 60.0° | 180.0° |
| C42 | C43 | C45 | H45B | 60.0° | 60.0° |
| C42 | C43 | C46 | H46 | 180.0° | 60.0° |
| C42 | C43 | C46 | H46A | 60.0° | 180.0° |
| C42 | C43 | C46 | H46B | 60.0° | 60.0° |
| H42 | C42 | C43 | C44 | 62.7° | 180.0° |
| H42 | C42 | C43 | C46 | 177.1° | 60.0° |
| H42 | C42 | C43 | C45 | 56.0° | 60.0° |
| H42A | C42 | C43 | C44 | 177.4° | 60.0° |
| H42A | C42 | C43 | C46 | 57.1° | 60.0° |
| H42A | C42 | C43 | C45 | 63.9° | 180.0° |
| C44 | C43 | C46 | C45 | 117.3° | 120.0° |
| C43 | C44 | H44 | H44A | 120.0° | 120.0° |
| C43 | C44 | H44 | H44B | 120.0° | 120.0° |
| C43 | C44 | H44A | H44B | 120.0° | 120.0° |
| C44 | C43 | C45 | H45 | 59.6° | 180.0° |
| C44 | C43 | C45 | H45A | 60.4° | 60.0° |
| C44 | C43 | C45 | H45B | 179.6° | 60.0° |
| C44 | C43 | C46 | H46 | 58.3° | 60.0° |
| C44 | C43 | C46 | H46A | 178.3° | 60.0° |
| C44 | C43 | C46 | H46B | 61.7° | 180.0° |
| C46 | C43 | C44 | H44 | 57.8° | 180.0° |
| C46 | C43 | C44 | H44A | 62.2° | 60.0° |
| C46 | C43 | C44 | H44B | 177.8° | 59.9° |
| C46 | C43 | C45 | H45 | 57.8° | 60.0° |
| C46 | C43 | C45 | H45A | 177.8° | 60.0° |
| C46 | C43 | C45 | H45B | 62.2° | 180.0° |
| C43 | C46 | H46 | H46A | 120.0° | 120.0° |
| C43 | C46 | H46 | H46B | 120.0° | 120.0° |
| C43 | C46 | H46A | H46B | 120.0° | 120.0° |
| C45 | C43 | C44 | H44 | 60.4° | 60.0° |
| C45 | C43 | C44 | H44A | 179.6° | 60.0° |
| C45 | C43 | C44 | H44B | 59.6° | 180.0° |
| C43 | C45 | H45 | H45A | 120.0° | 120.0° |
| C43 | C45 | H45 | H45B | 120.0° | 120.0° |
| C43 | C45 | H45A | H45B | 120.0° | 120.0° |
| C45 | C43 | C46 | H46 | 59.0° | 180.0° |
| C45 | C43 | C46 | H46A | 61.0° | 60.0° |
| C45 | C43 | C46 | H46B | 179.0° | 60.0° |
| H44 | C44 | H44A | H44B | 120.0° | 120.0° |
| H45 | C45 | H45A | H45B | 120.1° | 120.0° |
| H46 | C46 | H46A | H46B | 120.0° | 120.1° |
