2LR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | O6 | sing | 1.45Å | 1.42Å | |
| C5 | C4 | sing | 1.51Å | 1.40Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| O6 | C7 | sing | 1.35Å | 1.37Å | |
| C31 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C14 | sing | 1.53Å | 1.54Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C7 | O8 | doub | 1.22Å | 1.23Å | |
| C7 | N9 | sing | 1.35Å | 1.35Å | |
| C4 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| N9 | C10 | sing | 1.46Å | 1.48Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | C15 | sing | 1.51Å | 1.54Å | |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | O30 | doub | 1.21Å | 1.23Å | |
| C15 | N16 | sing | 1.35Å | 1.35Å | |
| N16 | C17 | sing | 1.46Å | 1.48Å | |
| C21 | C19 | sing | 1.53Å | 1.55Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C17 | C22 | sing | 1.51Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| O23 | C22 | doub | 1.21Å | 1.23Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C22 | N24 | sing | 1.35Å | 1.35Å | |
| C29 | C27 | sing | 1.53Å | 1.54Å | |
| N24 | C25 | sing | 1.47Å | 1.48Å | |
| C45 | C34 | sing | 1.53Å | 1.36Å | |
| O40 | C34 | sing | 1.43Å | 1.42Å | |
| O40 | C35 | sing | 1.43Å | 1.39Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C25 | C33 | sing | 1.53Å | 1.55Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C34 | C33 | sing | 1.53Å | 1.55Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.55Å | |
| C33 | O43 | sing | 1.43Å | 1.44Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C33 | H19 | sing | 1.09Å | 1.10Å | |
| C45 | H20 | sing | 1.09Å | 1.10Å | |
| C45 | H21 | sing | 1.09Å | 1.10Å | |
| C45 | H22 | sing | 1.09Å | 1.10Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| O43 | H25 | sing | 0.97Å | 0.95Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| N24 | H31 | sing | 0.97Å | 1.00Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| N16 | H35 | sing | 0.97Å | 1.00Å | |
| C11 | H36 | sing | 1.09Å | 1.10Å | |
| C11 | H37 | sing | 1.09Å | 1.10Å | |
| C12 | H38 | sing | 1.09Å | 1.10Å | |
| C14 | H39 | sing | 1.09Å | 1.10Å | |
| C14 | H40 | sing | 1.09Å | 1.10Å | |
| C14 | H41 | sing | 1.09Å | 1.10Å | |
| N9 | H42 | sing | 0.97Å | 1.00Å | |
| C3 | H43 | sing | 1.08Å | 1.08Å | |
| C2 | H44 | sing | 1.08Å | 1.08Å | |
| C1 | H45 | sing | 1.08Å | 1.08Å | |
| C32 | H46 | sing | 1.08Å | 1.08Å | |
| C31 | H47 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C5 | C4 | 106.0° | 109.5° |
| C5 | O6 | C7 | 116.4° | 117.0° |
| O6 | C5 | H1 | 110.3° | 109.5° |
| O6 | C5 | H2 | 110.4° | 109.5° |
| C5 | C4 | C31 | 120.7° | 120.0° |
| C5 | C4 | C3 | 120.3° | 120.0° |
| C4 | C5 | H1 | 110.4° | 109.5° |
| C4 | C5 | H2 | 110.3° | 109.4° |
| C13 | C12 | C14 | 110.1° | 109.5° |
| C13 | C12 | C11 | 110.8° | 109.5° |
| C12 | C13 | H4 | 109.5° | 109.5° |
| C12 | C13 | H5 | 109.4° | 109.4° |
| C12 | C13 | H6 | 109.5° | 109.4° |
| C13 | C12 | H38 | 108.7° | 109.5° |
| O6 | C7 | O8 | 120.6° | 120.0° |
| O6 | C7 | N9 | 119.4° | 120.0° |
| C4 | C31 | C32 | 120.4° | 120.0° |
| C31 | C4 | C3 | 119.0° | 120.0° |
| C4 | C31 | H47 | 119.8° | 120.0° |
| C31 | C32 | C1 | 120.2° | 120.0° |
| C31 | C32 | H46 | 119.9° | 120.0° |
| C32 | C31 | H47 | 119.8° | 120.0° |
| C14 | C12 | C11 | 109.8° | 109.5° |
| C14 | C12 | H38 | 108.8° | 109.4° |
| C12 | C14 | H39 | 109.5° | 109.4° |
| C12 | C14 | H40 | 109.4° | 109.5° |
| C12 | C14 | H41 | 109.4° | 109.5° |
| C12 | C11 | C10 | 109.8° | 109.4° |
| C12 | C11 | H36 | 109.4° | 109.5° |
| C12 | C11 | H37 | 109.4° | 109.4° |
| C11 | C12 | H38 | 108.7° | 109.5° |
| O8 | C7 | N9 | 120.0° | 120.0° |
| C7 | N9 | C10 | 122.0° | 120.0° |
| C7 | N9 | H42 | 119.0° | 120.0° |
| C4 | C3 | C2 | 120.6° | 120.0° |
| C4 | C3 | H43 | 119.7° | 120.0° |
| C32 | C1 | C2 | 119.7° | 120.1° |
| C32 | C1 | H45 | 120.2° | 120.0° |
| C1 | C32 | H46 | 119.9° | 120.0° |
| N9 | C10 | C11 | 110.9° | 109.5° |
| N9 | C10 | C15 | 108.5° | 109.5° |
| N9 | C10 | H3 | 109.6° | 109.5° |
| C10 | N9 | H42 | 119.0° | 120.0° |
| C11 | C10 | C15 | 110.2° | 109.5° |
| C11 | C10 | H3 | 108.8° | 109.5° |
| C10 | C11 | H36 | 109.4° | 109.4° |
| C10 | C11 | H37 | 109.4° | 109.5° |
| C10 | C15 | O30 | 120.7° | 120.0° |
| C10 | C15 | N16 | 114.8° | 120.0° |
| C15 | C10 | H3 | 108.8° | 109.5° |
| C3 | C2 | C1 | 120.1° | 120.0° |
| C2 | C3 | H43 | 119.7° | 120.0° |
| C3 | C2 | H44 | 120.0° | 120.1° |
| C1 | C2 | H44 | 120.0° | 120.0° |
| C2 | C1 | H45 | 120.2° | 120.0° |
| O30 | C15 | N16 | 124.5° | 120.0° |
| C15 | N16 | C17 | 123.1° | 120.0° |
| C15 | N16 | H35 | 118.4° | 120.0° |
| N16 | C17 | C18 | 108.5° | 109.4° |
| N16 | C17 | C22 | 109.3° | 109.5° |
| N16 | C17 | H7 | 110.0° | 109.5° |
| C17 | N16 | H35 | 118.4° | 120.0° |
| C21 | C19 | C18 | 111.6° | 109.5° |
| C21 | C19 | C20 | 111.2° | 109.5° |
| C19 | C21 | H11 | 109.5° | 109.4° |
| C19 | C21 | H12 | 109.5° | 109.5° |
| C19 | C21 | H13 | 109.5° | 109.5° |
| C21 | C19 | H34 | 107.7° | 109.5° |
| C18 | C17 | C22 | 110.9° | 109.5° |
| C17 | C18 | C19 | 113.4° | 109.5° |
| C18 | C17 | H7 | 109.0° | 109.5° |
| C17 | C18 | H32 | 108.5° | 109.5° |
| C17 | C18 | H33 | 108.5° | 109.5° |
| C17 | C22 | O23 | 120.8° | 120.0° |
| C17 | C22 | N24 | 115.0° | 120.0° |
| C22 | C17 | H7 | 109.1° | 109.5° |
| C18 | C19 | C20 | 110.6° | 109.5° |
| C19 | C18 | H32 | 108.5° | 109.4° |
| C19 | C18 | H33 | 108.5° | 109.5° |
| C18 | C19 | H34 | 107.7° | 109.5° |
| O23 | C22 | N24 | 124.2° | 120.0° |
| C19 | C20 | H8 | 109.5° | 109.5° |
| C19 | C20 | H9 | 109.5° | 109.5° |
| C19 | C20 | H10 | 109.5° | 109.5° |
| C20 | C19 | H34 | 107.8° | 109.4° |
| C22 | N24 | C25 | 122.8° | 120.0° |
| C22 | N24 | H31 | 118.6° | 120.0° |
| C29 | C27 | C28 | 108.7° | 109.5° |
| C29 | C27 | C26 | 113.5° | 109.5° |
| C29 | C27 | H27 | 108.6° | 109.5° |
| C27 | C29 | H28 | 109.5° | 109.5° |
| C27 | C29 | H29 | 109.4° | 109.5° |
| C27 | C29 | H30 | 109.5° | 109.6° |
| N24 | C25 | C26 | 107.8° | 109.5° |
| N24 | C25 | C33 | 111.3° | 109.5° |
| N24 | C25 | H26 | 108.8° | 109.4° |
| C25 | N24 | H31 | 118.6° | 120.0° |
| C45 | C34 | O40 | 94.4° | 117.8° |
| C45 | C34 | C35 | 98.0° | 117.8° |
| C45 | C34 | C33 | 136.9° | 115.7° |
| C34 | C45 | H20 | 109.5° | 109.5° |
| C34 | C45 | H21 | 109.5° | 109.5° |
| C34 | C45 | H22 | 109.5° | 109.5° |
| C34 | O40 | C35 | 65.9° | 64.7° |
| O40 | C34 | C35 | 56.1° | 57.6° |
| O40 | C34 | C33 | 115.1° | 117.8° |
| O40 | C35 | C34 | 58.0° | 57.6° |
| O40 | C35 | H23 | 120.3° | 117.7° |
| O40 | C35 | H24 | 120.3° | 117.8° |
| C26 | C25 | C33 | 112.9° | 109.5° |
| C25 | C26 | C27 | 113.1° | 109.5° |
| C25 | C26 | H14 | 108.6° | 109.5° |
| C25 | C26 | H15 | 108.6° | 109.5° |
| C26 | C25 | H26 | 108.0° | 109.4° |
| C25 | C33 | C34 | 105.3° | 109.4° |
| C25 | C33 | O43 | 111.4° | 109.5° |
| C25 | C33 | H19 | 108.8° | 109.5° |
| C33 | C25 | H26 | 107.9° | 109.5° |
| C35 | C34 | C33 | 124.2° | 117.8° |
| C34 | C35 | H23 | 120.3° | 117.8° |
| C34 | C35 | H24 | 120.3° | 117.8° |
| C34 | C33 | O43 | 112.0° | 109.5° |
| C34 | C33 | H19 | 108.8° | 109.4° |
| C28 | C27 | C26 | 108.6° | 109.5° |
| C27 | C28 | H16 | 109.5° | 109.5° |
| C27 | C28 | H17 | 109.5° | 109.5° |
| C27 | C28 | H18 | 109.5° | 109.5° |
| C28 | C27 | H27 | 108.7° | 109.4° |
| C27 | C26 | H14 | 108.5° | 109.4° |
| C27 | C26 | H15 | 108.5° | 109.5° |
| C26 | C27 | H27 | 108.5° | 109.5° |
| O43 | C33 | H19 | 110.3° | 109.5° |
| C33 | O43 | H25 | 109.5° | 114.0° |
| H1 | C5 | H2 | 109.4° | 109.5° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H4 | C13 | H6 | 109.5° | 109.5° |
| H5 | C13 | H6 | 109.5° | 109.5° |
| H8 | C20 | H9 | 109.5° | 109.5° |
| H8 | C20 | H10 | 109.4° | 109.4° |
| H9 | C20 | H10 | 109.5° | 109.5° |
| H11 | C21 | H12 | 109.5° | 109.4° |
| H11 | C21 | H13 | 109.5° | 109.5° |
| H12 | C21 | H13 | 109.5° | 109.5° |
| H14 | C26 | H15 | 109.5° | 109.4° |
| H16 | C28 | H17 | 109.5° | 109.4° |
| H16 | C28 | H18 | 109.5° | 109.5° |
| H17 | C28 | H18 | 109.4° | 109.5° |
| H20 | C45 | H21 | 109.5° | 109.5° |
| H20 | C45 | H22 | 109.5° | 109.5° |
| H21 | C45 | H22 | 109.5° | 109.4° |
| H23 | C35 | H24 | 109.5° | 115.7° |
| H28 | C29 | H29 | 109.5° | 109.4° |
| H28 | C29 | H30 | 109.5° | 109.5° |
| H29 | C29 | H30 | 109.5° | 109.5° |
| H32 | C18 | H33 | 109.5° | 109.5° |
| H36 | C11 | H37 | 109.4° | 109.6° |
| H39 | C14 | H40 | 109.5° | 109.5° |
| H39 | C14 | H41 | 109.5° | 109.5° |
| H40 | C14 | H41 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C5 | C4 | H1 | 119.4° | 120.0° |
| O6 | C5 | C4 | H2 | 119.5° | 120.0° |
| O6 | C5 | C4 | C31 | 95.6° | 89.7° |
| C5 | O6 | C7 | O8 | 16.2° | 0.1° |
| C5 | O6 | C7 | N9 | 164.3° | 179.7° |
| O6 | C5 | C4 | C3 | 84.7° | 90.0° |
| O6 | C5 | H1 | H2 | 121.6° | 120.0° |
| C4 | C5 | O6 | C7 | 104.8° | 180.0° |
| C5 | C4 | C31 | C3 | 179.7° | 179.7° |
| C5 | C4 | C31 | C32 | 179.8° | 180.0° |
| C5 | C4 | C3 | C2 | 179.9° | 179.8° |
| C4 | C5 | H1 | H2 | 121.6° | 120.0° |
| C5 | C4 | C3 | H43 | 0.1° | 0.0° |
| C5 | C4 | C31 | H47 | 0.2° | 0.0° |
| C13 | C12 | C14 | C11 | 122.2° | 120.0° |
| C13 | C12 | C14 | H38 | 119.0° | 120.0° |
| C13 | C12 | C11 | H38 | 119.4° | 120.0° |
| C13 | C12 | C11 | C10 | 154.6° | 175.0° |
| C12 | C13 | H4 | H5 | 120.0° | 120.0° |
| C12 | C13 | H4 | H6 | 120.0° | 120.0° |
| C12 | C13 | H5 | H6 | 120.0° | 119.9° |
| C13 | C12 | C11 | H36 | 85.4° | 55.1° |
| C13 | C12 | C11 | H37 | 34.5° | 65.0° |
| C13 | C12 | C14 | H39 | 180.0° | 60.0° |
| C13 | C12 | C14 | H40 | 60.0° | 180.0° |
| C13 | C12 | C14 | H41 | 60.0° | 60.0° |
| O6 | C7 | O8 | N9 | 179.5° | 179.6° |
| O6 | C7 | N9 | C10 | 179.3° | 179.7° |
| C7 | O6 | C5 | H1 | 135.8° | 60.0° |
| C7 | O6 | C5 | H2 | 14.7° | 60.0° |
| O6 | C7 | N9 | H42 | 0.7° | 0.3° |
| C4 | C31 | C32 | H47 | 180.0° | 180.0° |
| C4 | C31 | C32 | C1 | 0.0° | 0.0° |
| C31 | C4 | C3 | C2 | 0.2° | 0.5° |
| C31 | C4 | C5 | H1 | 23.8° | 150.3° |
| C31 | C4 | C5 | H2 | 144.9° | 30.3° |
| C31 | C4 | C3 | H43 | 179.8° | 179.7° |
| C4 | C31 | C32 | H46 | 180.0° | 180.0° |
| C32 | C31 | C4 | C3 | 0.2° | 0.3° |
| C31 | C32 | C1 | H46 | 180.0° | 180.0° |
| C31 | C32 | C1 | C2 | 0.0° | 0.0° |
| C31 | C32 | C1 | H45 | 180.0° | 179.9° |
| C14 | C12 | C11 | H38 | 118.9° | 120.0° |
| C14 | C12 | C11 | C10 | 83.6° | 65.0° |
| C14 | C12 | C13 | H4 | 180.0° | 60.0° |
| C14 | C12 | C13 | H5 | 60.0° | 180.0° |
| C14 | C12 | C13 | H6 | 60.0° | 60.0° |
| C14 | C12 | C11 | H36 | 36.4° | 175.1° |
| C14 | C12 | C11 | H37 | 156.3° | 55.0° |
| C12 | C14 | H39 | H40 | 120.0° | 120.0° |
| C12 | C14 | H39 | H41 | 120.0° | 120.0° |
| C12 | C14 | H40 | H41 | 120.0° | 120.0° |
| C12 | C11 | C10 | N9 | 82.2° | 65.0° |
| C12 | C11 | C10 | H36 | 120.1° | 120.0° |
| C12 | C11 | C10 | H37 | 120.0° | 119.9° |
| C12 | C11 | C10 | C15 | 157.6° | 175.0° |
| C12 | C11 | C10 | H3 | 38.4° | 55.0° |
| C11 | C12 | C13 | H4 | 58.4° | 180.0° |
| C11 | C12 | C13 | H5 | 61.6° | 60.0° |
| C11 | C12 | C13 | H6 | 178.4° | 60.0° |
| C12 | C11 | H36 | H37 | 119.9° | 120.0° |
| C11 | C12 | C14 | H39 | 57.8° | 60.0° |
| C11 | C12 | C14 | H40 | 177.8° | 60.0° |
| C11 | C12 | C14 | H41 | 62.2° | 180.0° |
| O8 | C7 | N9 | C10 | 1.2° | 0.1° |
| O8 | C7 | N9 | H42 | 178.8° | 179.9° |
| C7 | N9 | C10 | H42 | 180.0° | 180.0° |
| C7 | N9 | C10 | C11 | 151.6° | 85.0° |
| C7 | N9 | C10 | C15 | 87.2° | 155.0° |
| C7 | N9 | C10 | H3 | 31.4° | 35.0° |
| C4 | C3 | C2 | H43 | 180.0° | 179.8° |
| C4 | C3 | C2 | C1 | 0.2° | 0.4° |
| C3 | C4 | C5 | H1 | 155.9° | 30.0° |
| C3 | C4 | C5 | H2 | 34.8° | 150.0° |
| C4 | C3 | C2 | H44 | 179.8° | 179.7° |
| C3 | C4 | C31 | H47 | 179.9° | 179.7° |
| C32 | C1 | C2 | C3 | 0.1° | 0.2° |
| C32 | C1 | C2 | H45 | 180.0° | 179.9° |
| C32 | C1 | C2 | H44 | 179.9° | 179.9° |
| C1 | C32 | C31 | H47 | 180.0° | 180.0° |
| N9 | C10 | C11 | C15 | 120.1° | 120.0° |
| N9 | C10 | C11 | H3 | 120.7° | 120.0° |
| N9 | C10 | C15 | H3 | 119.1° | 120.0° |
| N9 | C10 | C15 | O30 | 52.5° | 0.1° |
| N9 | C10 | C15 | N16 | 126.5° | 180.0° |
| N9 | C10 | C11 | H36 | 157.7° | 55.0° |
| N9 | C10 | C11 | H37 | 37.8° | 175.1° |
| C11 | C10 | C15 | H3 | 119.3° | 120.0° |
| C11 | C10 | C15 | O30 | 69.1° | 119.9° |
| C11 | C10 | C15 | N16 | 111.9° | 60.0° |
| C10 | C11 | H36 | H37 | 119.9° | 120.0° |
| C10 | C11 | C12 | H38 | 35.2° | 55.0° |
| C11 | C10 | N9 | H42 | 28.4° | 95.0° |
| C10 | C15 | O30 | N16 | 178.9° | 179.9° |
| C10 | C15 | N16 | C17 | 178.9° | 174.9° |
| C10 | C15 | N16 | H35 | 1.1° | 5.1° |
| C15 | C10 | C11 | H36 | 37.6° | 65.0° |
| C15 | C10 | C11 | H37 | 82.3° | 55.1° |
| C15 | C10 | N9 | H42 | 92.8° | 25.0° |
| C3 | C2 | C1 | H44 | 180.0° | 179.9° |
| C3 | C2 | C1 | H45 | 180.0° | 179.9° |
| C1 | C2 | C3 | H43 | 179.8° | 179.7° |
| C2 | C1 | C32 | H46 | 180.0° | 180.0° |
| O30 | C15 | N16 | C17 | 0.1° | 5.0° |
| O30 | C15 | C10 | H3 | 171.6° | 120.1° |
| O30 | C15 | N16 | H35 | 179.9° | 175.0° |
| C15 | N16 | C17 | H35 | 180.0° | 180.0° |
| C15 | N16 | C17 | C18 | 138.7° | 88.3° |
| C15 | N16 | C17 | C22 | 100.3° | 151.7° |
| N16 | C15 | C10 | H3 | 7.3° | 60.0° |
| C15 | N16 | C17 | H7 | 19.5° | 31.6° |
| N16 | C17 | C18 | C22 | 120.0° | 120.0° |
| N16 | C17 | C18 | H7 | 119.8° | 120.0° |
| N16 | C17 | C22 | H7 | 120.3° | 120.1° |
| N16 | C17 | C18 | C19 | 108.7° | 174.9° |
| N16 | C17 | C22 | O23 | 22.5° | 23.3° |
| N16 | C17 | C22 | N24 | 157.5° | 156.6° |
| N16 | C17 | C18 | H32 | 11.9° | 54.9° |
| N16 | C17 | C18 | H33 | 130.7° | 65.1° |
| C21 | C19 | C18 | C17 | 52.3° | 172.9° |
| C21 | C19 | C18 | C20 | 124.3° | 120.0° |
| C21 | C19 | C18 | H34 | 118.1° | 120.0° |
| C21 | C19 | C20 | H34 | 117.9° | 120.0° |
| C21 | C19 | C20 | H8 | 180.0° | 63.7° |
| C21 | C19 | C20 | H9 | 60.0° | 176.2° |
| C21 | C19 | C20 | H10 | 60.0° | 56.2° |
| C19 | C21 | H11 | H12 | 120.0° | 119.9° |
| C19 | C21 | H11 | H13 | 120.0° | 120.0° |
| C19 | C21 | H12 | H13 | 120.0° | 120.1° |
| C21 | C19 | C18 | H32 | 68.3° | 67.1° |
| C21 | C19 | C18 | H33 | 172.9° | 52.9° |
| C18 | C17 | C22 | H7 | 120.1° | 120.0° |
| C17 | C18 | C19 | H32 | 120.6° | 120.0° |
| C17 | C18 | C19 | H33 | 120.6° | 120.0° |
| C18 | C17 | C22 | O23 | 97.0° | 96.6° |
| C17 | C18 | C19 | C20 | 72.0° | 67.1° |
| C18 | C17 | C22 | N24 | 82.9° | 83.5° |
| C17 | C18 | H32 | H33 | 118.2° | 120.1° |
| C17 | C18 | C19 | H34 | 170.4° | 52.9° |
| C18 | C17 | N16 | H35 | 41.3° | 91.6° |
| C22 | C17 | C18 | C19 | 131.3° | 65.1° |
| C17 | C22 | O23 | N24 | 180.0° | 179.9° |
| C17 | C22 | N24 | C25 | 179.0° | 175.2° |
| C17 | C22 | N24 | H31 | 1.0° | 4.9° |
| C22 | C17 | C18 | H32 | 108.1° | 174.9° |
| C22 | C17 | C18 | H33 | 10.7° | 54.9° |
| C22 | C17 | N16 | H35 | 79.7° | 28.4° |
| C18 | C19 | C20 | H34 | 117.6° | 120.0° |
| C19 | C18 | C17 | H7 | 11.1° | 54.9° |
| C18 | C19 | C20 | H8 | 55.5° | 176.2° |
| C18 | C19 | C20 | H9 | 64.5° | 56.2° |
| C18 | C19 | C20 | H10 | 175.4° | 63.8° |
| C18 | C19 | C21 | H11 | 180.0° | 60.0° |
| C18 | C19 | C21 | H12 | 60.0° | 179.9° |
| C18 | C19 | C21 | H13 | 60.0° | 60.0° |
| C19 | C18 | H32 | H33 | 118.2° | 120.0° |
| O23 | C22 | N24 | C25 | 1.1° | 4.7° |
| O23 | C22 | C17 | H7 | 142.9° | 143.4° |
| O23 | C22 | N24 | H31 | 179.0° | 175.1° |
| C19 | C20 | H8 | H9 | 120.0° | 120.0° |
| C19 | C20 | H8 | H10 | 120.0° | 120.0° |
| C19 | C20 | H9 | H10 | 120.0° | 120.0° |
| C20 | C19 | C21 | H11 | 56.1° | 180.0° |
| C20 | C19 | C21 | H12 | 64.0° | 60.0° |
| C20 | C19 | C21 | H13 | 176.0° | 60.0° |
| C20 | C19 | C18 | H32 | 167.4° | 52.9° |
| C20 | C19 | C18 | H33 | 48.6° | 172.9° |
| C22 | N24 | C25 | H31 | 180.0° | 179.9° |
| C22 | N24 | C25 | C26 | 123.9° | 147.7° |
| C22 | N24 | C25 | C33 | 111.7° | 92.3° |
| N24 | C22 | C17 | H7 | 37.2° | 36.5° |
| C22 | N24 | C25 | H26 | 7.1° | 27.7° |
| C29 | C27 | C26 | C25 | 42.5° | 66.1° |
| C29 | C27 | C28 | C26 | 124.0° | 120.0° |
| C29 | C27 | C28 | H27 | 118.1° | 120.0° |
| C29 | C27 | C26 | H27 | 120.9° | 120.0° |
| C29 | C27 | C26 | H14 | 78.1° | 173.9° |
| C29 | C27 | C26 | H15 | 163.0° | 54.0° |
| C29 | C27 | C28 | H16 | 180.0° | 64.9° |
| C29 | C27 | C28 | H17 | 60.0° | 175.1° |
| C29 | C27 | C28 | H18 | 60.0° | 55.1° |
| C27 | C29 | H28 | H29 | 120.0° | 120.0° |
| C27 | C29 | H28 | H30 | 120.0° | 120.1° |
| C27 | C29 | H29 | H30 | 120.0° | 120.1° |
| N24 | C25 | C26 | C33 | 123.4° | 120.0° |
| N24 | C25 | C26 | H26 | 117.4° | 119.9° |
| N24 | C25 | C33 | H26 | 119.3° | 120.0° |
| N24 | C25 | C33 | C34 | 66.4° | 160.0° |
| N24 | C25 | C26 | C27 | 113.6° | 64.0° |
| N24 | C25 | C33 | O43 | 55.2° | 39.9° |
| N24 | C25 | C26 | H14 | 6.9° | 56.0° |
| N24 | C25 | C26 | H15 | 125.9° | 176.0° |
| N24 | C25 | C33 | H19 | 177.1° | 80.1° |
| C45 | C34 | O40 | C35 | 96.6° | 106.8° |
| C45 | C34 | O40 | C33 | 147.7° | 146.4° |
| C45 | C34 | C33 | C25 | 46.6° | 26.5° |
| C45 | C34 | C35 | C33 | 170.7° | 146.3° |
| C45 | C34 | C33 | O43 | 167.8° | 146.5° |
| C45 | C34 | C33 | H19 | 69.9° | 93.5° |
| C34 | C45 | H20 | H21 | 120.0° | 120.0° |
| C34 | C45 | H20 | H22 | 120.0° | 120.0° |
| C34 | C45 | H21 | H22 | 120.0° | 120.0° |
| C45 | C34 | C35 | H23 | 161.1° | 0.1° |
| C45 | C34 | C35 | H24 | 18.9° | 146.2° |
| O40 | C34 | C33 | C25 | 82.1° | 120.6° |
| O40 | C34 | C35 | C33 | 99.3° | 106.8° |
| O40 | C34 | C33 | O43 | 39.1° | 0.5° |
| O40 | C34 | C33 | H19 | 161.3° | 119.5° |
| O40 | C34 | C45 | H20 | 180.0° | 20.9° |
| O40 | C34 | C45 | H21 | 60.0° | 99.1° |
| O40 | C34 | C45 | H22 | 60.0° | 140.9° |
| C34 | O40 | C35 | H23 | 108.9° | 106.8° |
| C34 | O40 | C35 | H24 | 108.9° | 106.9° |
| O40 | C35 | H23 | H24 | 145.8° | 147.0° |
| C26 | C25 | C33 | H26 | 119.2° | 120.0° |
| C26 | C25 | C33 | C34 | 172.2° | 80.0° |
| C25 | C26 | C27 | C28 | 163.5° | 173.9° |
| C25 | C26 | C27 | H14 | 120.5° | 120.0° |
| C25 | C26 | C27 | H15 | 120.5° | 120.1° |
| C26 | C25 | C33 | O43 | 66.2° | 159.9° |
| C25 | C26 | H14 | H15 | 118.4° | 120.0° |
| C26 | C25 | C33 | H19 | 55.7° | 39.9° |
| C25 | C26 | C27 | H27 | 78.5° | 53.9° |
| C26 | C25 | N24 | H31 | 56.0° | 32.5° |
| C25 | C33 | C34 | C35 | 146.9° | 173.4° |
| C25 | C33 | C34 | O43 | 121.3° | 120.0° |
| C25 | C33 | C34 | H19 | 116.5° | 119.9° |
| C33 | C25 | C26 | C27 | 123.0° | 176.0° |
| C25 | C33 | O43 | H19 | 121.0° | 120.0° |
| C33 | C25 | C26 | H14 | 116.5° | 64.0° |
| C33 | C25 | C26 | H15 | 2.4° | 56.0° |
| C25 | C33 | O43 | H25 | 180.0° | 59.9° |
| C33 | C25 | N24 | H31 | 68.3° | 87.6° |
| C35 | C34 | C33 | O43 | 25.7° | 66.5° |
| C35 | C34 | C33 | H19 | 96.6° | 53.5° |
| C35 | C34 | C45 | H20 | 123.6° | 45.1° |
| C35 | C34 | C45 | H21 | 3.6° | 165.1° |
| C35 | C34 | C45 | H22 | 116.4° | 74.9° |
| C34 | C35 | H23 | H24 | 145.8° | 147.0° |
| C34 | C33 | O43 | H19 | 121.3° | 120.0° |
| C33 | C34 | C45 | H20 | 45.1° | 167.9° |
| C33 | C34 | C45 | H21 | 165.1° | 47.9° |
| C33 | C34 | C45 | H22 | 74.9° | 72.0° |
| C33 | C34 | C35 | H23 | 9.7° | 146.4° |
| C33 | C34 | C35 | H24 | 151.8° | 0.0° |
| C34 | C33 | O43 | H25 | 62.3° | 60.0° |
| C34 | C33 | C25 | H26 | 52.9° | 40.0° |
| C28 | C27 | C26 | H27 | 118.0° | 120.0° |
| C28 | C27 | C26 | H14 | 43.0° | 53.9° |
| C28 | C27 | C26 | H15 | 75.9° | 66.0° |
| C27 | C28 | H16 | H17 | 120.0° | 120.0° |
| C27 | C28 | H16 | H18 | 120.0° | 120.0° |
| C27 | C28 | H17 | H18 | 120.0° | 120.0° |
| C28 | C27 | C29 | H28 | 180.0° | 60.0° |
| C28 | C27 | C29 | H29 | 60.0° | 180.0° |
| C28 | C27 | C29 | H30 | 60.0° | 60.0° |
| C27 | C26 | H14 | H15 | 118.3° | 120.0° |
| C26 | C27 | C28 | H16 | 56.0° | 175.1° |
| C26 | C27 | C28 | H17 | 176.0° | 55.1° |
| C26 | C27 | C28 | H18 | 64.0° | 64.9° |
| C27 | C26 | C25 | H26 | 3.8° | 55.9° |
| C26 | C27 | C29 | H28 | 59.0° | 60.0° |
| C26 | C27 | C29 | H29 | 61.0° | 59.9° |
| C26 | C27 | C29 | H30 | 179.0° | 180.0° |
| O43 | C33 | C25 | H26 | 174.6° | 80.0° |
| H3 | C10 | C11 | H36 | 81.7° | 175.0° |
| H3 | C10 | C11 | H37 | 158.5° | 64.9° |
| H3 | C10 | N9 | H42 | 148.6° | 145.0° |
| H4 | C13 | H5 | H6 | 120.0° | 120.1° |
| H4 | C13 | C12 | H38 | 61.0° | 59.9° |
| H5 | C13 | C12 | H38 | 179.0° | 60.1° |
| H6 | C13 | C12 | H38 | 59.1° | 180.0° |
| H7 | C17 | C18 | H32 | 131.7° | 65.0° |
| H7 | C17 | C18 | H33 | 109.4° | 174.9° |
| H7 | C17 | N16 | H35 | 160.5° | 148.4° |
| H8 | C20 | H9 | H10 | 120.0° | 120.0° |
| H8 | C20 | C19 | H34 | 62.1° | 56.2° |
| H9 | C20 | C19 | H34 | 177.9° | 63.8° |
| H10 | C20 | C19 | H34 | 57.9° | 176.2° |
| H11 | C21 | H12 | H13 | 120.0° | 120.1° |
| H11 | C21 | C19 | H34 | 61.9° | 60.0° |
| H12 | C21 | C19 | H34 | 178.1° | 59.9° |
| H13 | C21 | C19 | H34 | 58.1° | 180.0° |
| H14 | C26 | C25 | H26 | 124.3° | 175.9° |
| H14 | C26 | C27 | H27 | 161.0° | 66.1° |
| H15 | C26 | C25 | H26 | 116.8° | 64.1° |
| H15 | C26 | C27 | H27 | 42.1° | 174.0° |
| H16 | C28 | H17 | H18 | 120.0° | 120.0° |
| H16 | C28 | C27 | H27 | 61.9° | 55.1° |
| H17 | C28 | C27 | H27 | 58.1° | 64.9° |
| H18 | C28 | C27 | H27 | 178.0° | 175.1° |
| H19 | C33 | O43 | H25 | 59.0° | 180.0° |
| H19 | C33 | C25 | H26 | 63.6° | 159.9° |
| H20 | C45 | H21 | H22 | 120.0° | 120.0° |
| H26 | C25 | N24 | H31 | 172.9° | 152.4° |
| H27 | C27 | C29 | H28 | 61.9° | 180.0° |
| H27 | C27 | C29 | H29 | 178.1° | 60.1° |
| H27 | C27 | C29 | H30 | 58.1° | 60.0° |
| H28 | C29 | H29 | H30 | 120.0° | 120.0° |
| H32 | C18 | C19 | H34 | 49.8° | 172.9° |
| H33 | C18 | C19 | H34 | 69.0° | 67.2° |
| H36 | C11 | C12 | H38 | 155.3° | 65.0° |
| H37 | C11 | C12 | H38 | 84.8° | 175.0° |
| H38 | C12 | C14 | H39 | 61.0° | 180.0° |
| H38 | C12 | C14 | H40 | 59.0° | 60.0° |
| H38 | C12 | C14 | H41 | 179.0° | 60.0° |
| H39 | C14 | H40 | H41 | 120.0° | 120.0° |
| H43 | C3 | C2 | H44 | 0.2° | 0.1° |
| H44 | C2 | C1 | H45 | 0.0° | 0.0° |
| H45 | C1 | C32 | H46 | 0.1° | 0.1° |
| H46 | C32 | C31 | H47 | 0.0° | 0.0° |
