1BL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C21 | doub | 1.21Å | 1.22Å | |
| C21 | O22 | sing | 1.34Å | 1.23Å | |
| C21 | C20 | sing | 1.51Å | 1.51Å | |
| F7 | C1 | sing | 1.35Å | 1.32Å | |
| C20 | O41 | sing | 1.43Å | 1.44Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.53Å | 1.55Å | |
| C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.52Å | |
| C3 | C9 | sing | 1.51Å | 1.53Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| N16 | C17 | sing | 1.35Å | 1.34Å | |
| N16 | C10 | sing | 1.47Å | 1.47Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C17 | O24 | doub | 1.21Å | 1.23Å | |
| C5 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | F8 | sing | 1.35Å | 1.32Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.50Å | |
| C11 | O40 | sing | 1.43Å | 1.41Å | |
| C12 | N13 | sing | 1.47Å | 1.46Å | |
| N13 | C14 | sing | 1.47Å | 1.50Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C29 | C14 | sing | 1.53Å | 1.57Å | |
| C28 | C27 | sing | 1.53Å | 1.51Å | |
| C14 | C25 | sing | 1.53Å | 1.55Å | |
| C14 | C30 | sing | 1.51Å | 1.52Å | |
| C27 | C26 | sing | 1.53Å | 1.56Å | |
| C25 | C26 | sing | 1.53Å | 1.56Å | |
| C30 | C31 | doub | 1.38Å | 1.42Å | Aromatic |
| C30 | C35 | sing | 1.38Å | 1.41Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.41Å | Aromatic |
| C39 | C36 | sing | 1.53Å | 1.53Å | |
| C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C36 | sing | 1.51Å | 1.52Å | |
| C36 | C38 | sing | 1.53Å | 1.52Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| O41 | H15 | sing | 0.97Å | 0.95Å | |
| O22 | H16 | sing | 0.97Å | 0.95Å | |
| N16 | H17 | sing | 0.97Å | 1.00Å | |
| O40 | H18 | sing | 0.97Å | 0.95Å | |
| N13 | H19 | sing | 1.01Å | 1.00Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C35 | H31 | sing | 1.08Å | 1.08Å | |
| C39 | H32 | sing | 1.09Å | 1.10Å | |
| C39 | H33 | sing | 1.09Å | 1.10Å | |
| C39 | H34 | sing | 1.09Å | 1.10Å | |
| C38 | H35 | sing | 1.09Å | 1.10Å | |
| C38 | H36 | sing | 1.09Å | 1.10Å | |
| C38 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H38 | sing | 1.09Å | 1.10Å | |
| C37 | H39 | sing | 1.09Å | 1.10Å | |
| C37 | H40 | sing | 1.09Å | 1.10Å | |
| C33 | H41 | sing | 1.08Å | 1.08Å | |
| C32 | H42 | sing | 1.08Å | 1.08Å | |
| C31 | H43 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | C21 | O22 | 120.4° | 120.0° |
| O23 | C21 | C20 | 120.4° | 120.0° |
| O22 | C21 | C20 | 119.1° | 120.0° |
| C21 | O22 | H16 | 109.5° | 117.0° |
| C21 | C20 | O41 | 106.4° | 109.5° |
| C21 | C20 | C19 | 108.3° | 109.5° |
| C21 | C20 | H14 | 110.6° | 109.4° |
| F7 | C1 | C2 | 121.3° | 120.0° |
| F7 | C1 | C6 | 117.4° | 120.0° |
| O41 | C20 | C19 | 109.8° | 109.5° |
| O41 | C20 | H14 | 111.6° | 109.5° |
| C20 | O41 | H15 | 109.5° | 114.0° |
| C20 | C19 | C18 | 115.3° | 109.5° |
| C20 | C19 | H12 | 108.0° | 109.5° |
| C20 | C19 | H13 | 108.0° | 109.5° |
| C19 | C20 | H14 | 110.1° | 109.5° |
| C2 | C1 | C6 | 121.3° | 119.9° |
| C1 | C2 | C3 | 120.6° | 120.0° |
| C1 | C2 | H1 | 119.7° | 120.0° |
| C1 | C6 | C5 | 118.0° | 120.0° |
| C1 | C6 | H9 | 121.0° | 120.1° |
| C2 | C3 | C9 | 120.1° | 120.0° |
| C2 | C3 | C4 | 118.8° | 120.1° |
| C3 | C2 | H1 | 119.7° | 120.0° |
| C19 | C18 | C17 | 110.3° | 109.5° |
| C19 | C18 | H10 | 109.3° | 109.5° |
| C19 | C18 | H11 | 109.2° | 109.4° |
| C18 | C19 | H12 | 108.0° | 109.5° |
| C18 | C19 | H13 | 108.0° | 109.4° |
| C6 | C5 | C4 | 121.7° | 120.0° |
| C6 | C5 | F8 | 116.7° | 120.0° |
| C5 | C6 | H9 | 121.0° | 120.0° |
| C18 | C17 | N16 | 119.1° | 120.0° |
| C18 | C17 | O24 | 118.4° | 120.1° |
| C17 | C18 | H10 | 109.2° | 109.5° |
| C17 | C18 | H11 | 109.2° | 109.5° |
| C9 | C3 | C4 | 121.0° | 120.0° |
| C3 | C9 | C10 | 107.1° | 109.4° |
| C3 | C9 | H7 | 110.1° | 109.5° |
| C3 | C9 | H8 | 110.0° | 109.5° |
| C3 | C4 | C5 | 119.6° | 120.0° |
| C3 | C4 | H2 | 120.2° | 120.0° |
| C17 | N16 | C10 | 123.1° | 120.0° |
| N16 | C17 | O24 | 122.5° | 120.0° |
| C17 | N16 | H17 | 118.5° | 120.0° |
| N16 | C10 | C9 | 107.5° | 109.5° |
| N16 | C10 | C11 | 107.8° | 109.5° |
| N16 | C10 | H3 | 109.9° | 109.5° |
| C10 | N16 | H17 | 118.4° | 120.0° |
| C9 | C10 | C11 | 113.7° | 109.5° |
| C9 | C10 | H3 | 108.9° | 109.5° |
| C10 | C9 | H7 | 110.1° | 109.4° |
| C10 | C9 | H8 | 110.1° | 109.5° |
| C4 | C5 | F8 | 121.5° | 120.0° |
| C5 | C4 | H2 | 120.2° | 120.0° |
| C10 | C11 | C12 | 112.8° | 109.5° |
| C10 | C11 | O40 | 106.1° | 109.5° |
| C11 | C10 | H3 | 108.9° | 109.4° |
| C10 | C11 | H4 | 111.3° | 109.5° |
| C12 | C11 | O40 | 100.8° | 109.4° |
| C11 | C12 | N13 | 113.1° | 109.5° |
| C12 | C11 | H4 | 112.0° | 109.4° |
| C11 | C12 | H5 | 108.6° | 109.4° |
| C11 | C12 | H6 | 108.6° | 109.4° |
| O40 | C11 | H4 | 113.4° | 109.5° |
| C11 | O40 | H18 | 109.5° | 114.0° |
| C12 | N13 | C14 | 117.2° | 111.0° |
| N13 | C12 | H5 | 108.6° | 109.5° |
| N13 | C12 | H6 | 108.6° | 109.5° |
| C12 | N13 | H19 | 107.5° | 111.0° |
| N13 | C14 | C29 | 106.8° | 109.5° |
| N13 | C14 | C25 | 114.6° | 109.5° |
| N13 | C14 | C30 | 107.3° | 109.5° |
| C14 | N13 | H19 | 107.5° | 111.0° |
| C28 | C29 | C14 | 117.9° | 109.5° |
| C29 | C28 | C27 | 113.7° | 109.5° |
| C28 | C29 | H21 | 107.3° | 109.5° |
| C28 | C29 | H22 | 107.3° | 109.5° |
| C29 | C28 | H23 | 108.4° | 109.5° |
| C29 | C28 | H24 | 108.4° | 109.5° |
| C29 | C14 | C25 | 110.2° | 109.4° |
| C29 | C14 | C30 | 114.3° | 109.5° |
| C14 | C29 | H21 | 107.3° | 109.5° |
| C14 | C29 | H22 | 107.3° | 109.4° |
| C28 | C27 | C26 | 110.6° | 109.5° |
| C27 | C28 | H23 | 108.4° | 109.4° |
| C27 | C28 | H24 | 108.4° | 109.5° |
| C28 | C27 | H25 | 109.2° | 109.5° |
| C28 | C27 | H26 | 109.2° | 109.5° |
| C25 | C14 | C30 | 103.9° | 109.4° |
| C14 | C25 | C26 | 113.8° | 109.4° |
| C14 | C25 | H29 | 108.4° | 109.5° |
| C14 | C25 | H30 | 108.4° | 109.5° |
| C14 | C30 | C31 | 122.7° | 120.0° |
| C14 | C30 | C35 | 119.2° | 119.9° |
| C27 | C26 | C25 | 109.9° | 109.4° |
| C26 | C27 | H25 | 109.2° | 109.5° |
| C26 | C27 | H26 | 109.2° | 109.5° |
| C27 | C26 | H27 | 109.4° | 109.5° |
| C27 | C26 | H28 | 109.3° | 109.5° |
| C25 | C26 | H27 | 109.4° | 109.5° |
| C25 | C26 | H28 | 109.4° | 109.5° |
| C26 | C25 | H29 | 108.3° | 109.5° |
| C26 | C25 | H30 | 108.4° | 109.4° |
| C31 | C30 | C35 | 118.0° | 120.0° |
| C30 | C31 | C32 | 120.5° | 120.0° |
| C30 | C31 | H43 | 119.7° | 120.0° |
| C30 | C35 | C34 | 121.8° | 120.0° |
| C30 | C35 | H31 | 119.1° | 120.0° |
| C31 | C32 | C33 | 119.7° | 120.0° |
| C31 | C32 | H42 | 120.2° | 120.0° |
| C32 | C31 | H43 | 119.8° | 120.0° |
| C35 | C34 | C33 | 119.2° | 120.0° |
| C35 | C34 | C36 | 123.0° | 120.0° |
| C34 | C35 | H31 | 119.1° | 120.0° |
| C32 | C33 | C34 | 120.8° | 120.0° |
| C32 | C33 | H41 | 119.6° | 120.0° |
| C33 | C32 | H42 | 120.1° | 120.0° |
| C39 | C36 | C34 | 107.5° | 109.5° |
| C39 | C36 | C38 | 105.2° | 109.4° |
| C39 | C36 | C37 | 115.1° | 109.4° |
| C36 | C39 | H32 | 109.5° | 109.5° |
| C36 | C39 | H33 | 109.5° | 109.5° |
| C36 | C39 | H34 | 109.5° | 109.5° |
| C33 | C34 | C36 | 117.8° | 120.0° |
| C34 | C33 | H41 | 119.6° | 120.0° |
| C34 | C36 | C38 | 116.7° | 109.5° |
| C34 | C36 | C37 | 108.5° | 109.5° |
| C38 | C36 | C37 | 104.2° | 109.5° |
| C36 | C38 | H35 | 109.5° | 109.5° |
| C36 | C38 | H36 | 109.4° | 109.5° |
| C36 | C38 | H37 | 109.5° | 109.5° |
| C36 | C37 | H38 | 109.5° | 109.5° |
| C36 | C37 | H39 | 109.4° | 109.5° |
| C36 | C37 | H40 | 109.5° | 109.4° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H7 | C9 | H8 | 109.5° | 109.5° |
| H10 | C18 | H11 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.5° | 109.4° |
| H21 | C29 | H22 | 109.4° | 109.4° |
| H23 | C28 | H24 | 109.5° | 109.5° |
| H25 | C27 | H26 | 109.5° | 109.4° |
| H27 | C26 | H28 | 109.5° | 109.5° |
| H29 | C25 | H30 | 109.5° | 109.5° |
| H32 | C39 | H33 | 109.4° | 109.5° |
| H32 | C39 | H34 | 109.5° | 109.4° |
| H33 | C39 | H34 | 109.5° | 109.4° |
| H35 | C38 | H36 | 109.5° | 109.5° |
| H35 | C38 | H37 | 109.4° | 109.5° |
| H36 | C38 | H37 | 109.5° | 109.4° |
| H38 | C37 | H39 | 109.5° | 109.5° |
| H38 | C37 | H40 | 109.5° | 109.5° |
| H39 | C37 | H40 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C21 | O22 | C20 | 177.4° | 180.0° |
| O23 | C21 | C20 | O41 | 157.8° | 5.0° |
| O23 | C21 | C20 | C19 | 84.3° | 115.0° |
| O23 | C21 | C20 | H14 | 36.4° | 125.0° |
| O23 | C21 | O22 | H16 | 0.0° | 0.0° |
| O22 | C21 | C20 | O41 | 24.8° | 175.0° |
| O22 | C21 | C20 | C19 | 93.1° | 65.0° |
| O22 | C21 | C20 | H14 | 146.2° | 55.0° |
| C21 | C20 | O41 | C19 | 116.9° | 120.0° |
| C21 | C20 | O41 | H14 | 120.7° | 119.9° |
| C21 | C20 | C19 | H14 | 121.0° | 120.0° |
| C21 | C20 | C19 | C18 | 68.4° | 175.0° |
| C21 | C20 | C19 | H12 | 170.7° | 65.0° |
| C21 | C20 | C19 | H13 | 52.4° | 55.0° |
| C21 | C20 | O41 | H15 | 180.0° | 60.0° |
| C20 | C21 | O22 | H16 | 177.4° | 180.0° |
| F7 | C1 | C2 | C6 | 179.7° | 179.9° |
| F7 | C1 | C2 | C3 | 180.0° | 179.9° |
| F7 | C1 | C6 | C5 | 179.6° | 179.5° |
| F7 | C1 | C2 | H1 | 0.1° | 0.2° |
| F7 | C1 | C6 | H9 | 0.4° | 0.0° |
| O41 | C20 | C19 | H14 | 123.3° | 120.0° |
| O41 | C20 | C19 | C18 | 47.3° | 65.0° |
| O41 | C20 | C19 | H12 | 73.6° | 55.0° |
| O41 | C20 | C19 | H13 | 168.1° | 175.0° |
| C20 | C19 | C18 | H12 | 120.9° | 120.1° |
| C20 | C19 | C18 | H13 | 120.9° | 120.0° |
| C20 | C19 | C18 | C17 | 170.9° | 180.0° |
| C20 | C19 | C18 | H10 | 69.0° | 59.9° |
| C20 | C19 | C18 | H11 | 50.8° | 60.0° |
| C20 | C19 | H12 | H13 | 117.3° | 120.0° |
| C19 | C20 | O41 | H15 | 63.1° | 60.0° |
| C1 | C2 | C3 | H1 | 180.0° | 179.7° |
| C2 | C1 | C6 | C5 | 0.6° | 0.5° |
| C1 | C2 | C3 | C9 | 176.2° | 179.8° |
| C1 | C2 | C3 | C4 | 0.1° | 0.3° |
| C2 | C1 | C6 | H9 | 179.4° | 179.9° |
| C6 | C1 | C2 | C3 | 0.3° | 0.0° |
| C1 | C6 | C5 | H9 | 180.0° | 179.5° |
| C1 | C6 | C5 | C4 | 0.8° | 0.7° |
| C1 | C6 | C5 | F8 | 178.6° | 179.7° |
| C6 | C1 | C2 | H1 | 179.7° | 179.7° |
| C2 | C3 | C9 | C4 | 176.3° | 179.9° |
| C2 | C3 | C9 | C10 | 114.2° | 90.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.1° |
| C2 | C3 | C4 | H2 | 179.7° | 180.0° |
| C2 | C3 | C9 | H7 | 126.2° | 150.0° |
| C2 | C3 | C9 | H8 | 5.4° | 29.9° |
| C19 | C18 | C17 | H10 | 120.1° | 120.0° |
| C19 | C18 | C17 | H11 | 120.1° | 119.9° |
| C19 | C18 | C17 | N16 | 80.9° | 180.0° |
| C19 | C18 | C17 | O24 | 99.0° | 0.1° |
| C19 | C18 | H10 | H11 | 119.6° | 119.9° |
| C18 | C19 | H12 | H13 | 117.3° | 119.9° |
| C18 | C19 | C20 | H14 | 170.6° | 55.0° |
| C6 | C5 | C4 | C3 | 0.6° | 0.4° |
| C6 | C5 | C4 | F8 | 177.7° | 179.5° |
| C6 | C5 | C4 | H2 | 179.4° | 179.4° |
| C18 | C17 | N16 | O24 | 180.0° | 179.9° |
| C18 | C17 | N16 | C10 | 179.6° | 180.0° |
| C17 | C18 | H10 | H11 | 119.6° | 120.0° |
| C17 | C18 | C19 | H12 | 50.0° | 59.9° |
| C17 | C18 | C19 | H13 | 68.3° | 60.0° |
| C18 | C17 | N16 | H17 | 0.4° | 0.0° |
| C3 | C9 | C10 | N16 | 51.5° | 65.2° |
| C3 | C9 | C10 | H7 | 119.6° | 120.0° |
| C3 | C9 | C10 | H8 | 119.6° | 120.0° |
| C9 | C3 | C4 | C5 | 176.0° | 180.0° |
| C3 | C9 | C10 | C11 | 170.8° | 174.8° |
| C9 | C3 | C2 | H1 | 3.8° | 0.1° |
| C9 | C3 | C4 | H2 | 4.0° | 0.2° |
| C3 | C9 | C10 | H3 | 67.5° | 54.8° |
| C3 | C9 | H7 | H8 | 121.1° | 120.0° |
| C4 | C3 | C9 | C10 | 62.1° | 90.1° |
| C3 | C4 | C5 | H2 | 180.0° | 179.9° |
| C3 | C4 | C5 | F8 | 178.4° | 180.0° |
| C4 | C3 | C2 | H1 | 179.9° | 179.9° |
| C4 | C3 | C9 | H7 | 57.5° | 29.9° |
| C4 | C3 | C9 | H8 | 178.3° | 149.9° |
| C17 | N16 | C10 | H17 | 180.0° | 180.0° |
| C17 | N16 | C10 | C9 | 127.6° | 85.0° |
| C17 | N16 | C10 | C11 | 109.4° | 155.0° |
| C17 | N16 | C10 | H3 | 9.2° | 35.0° |
| N16 | C17 | C18 | H10 | 39.2° | 60.0° |
| N16 | C17 | C18 | H11 | 159.0° | 60.1° |
| N16 | C10 | C9 | C11 | 119.3° | 120.0° |
| N16 | C10 | C9 | H3 | 119.0° | 120.0° |
| C10 | N16 | C17 | O24 | 0.4° | 0.0° |
| N16 | C10 | C11 | H3 | 119.2° | 120.0° |
| N16 | C10 | C11 | C12 | 66.8° | 176.1° |
| N16 | C10 | C11 | O40 | 176.2° | 63.9° |
| N16 | C10 | C11 | H4 | 60.0° | 56.1° |
| N16 | C10 | C9 | H7 | 171.1° | 174.8° |
| N16 | C10 | C9 | H8 | 68.1° | 54.8° |
| C9 | C10 | C11 | H3 | 121.6° | 120.0° |
| C9 | C10 | C11 | C12 | 174.1° | 63.9° |
| C9 | C10 | C11 | O40 | 64.6° | 56.0° |
| C9 | C10 | C11 | H4 | 59.1° | 176.1° |
| C10 | C9 | H7 | H8 | 121.1° | 120.0° |
| C9 | C10 | N16 | H17 | 52.4° | 95.0° |
| O24 | C17 | C18 | H10 | 140.8° | 120.0° |
| O24 | C17 | C18 | H11 | 21.1° | 120.0° |
| O24 | C17 | N16 | H17 | 179.6° | 180.0° |
| C4 | C5 | C6 | H9 | 179.2° | 179.7° |
| F8 | C5 | C4 | H2 | 1.6° | 0.1° |
| F8 | C5 | C6 | H9 | 1.4° | 0.2° |
| C10 | C11 | C12 | O40 | 112.8° | 120.0° |
| C10 | C11 | C12 | H4 | 126.4° | 120.0° |
| C10 | C11 | O40 | H4 | 122.4° | 120.1° |
| C10 | C11 | C12 | N13 | 170.3° | 175.9° |
| C10 | C11 | C12 | H5 | 69.2° | 55.9° |
| C10 | C11 | C12 | H6 | 49.7° | 64.1° |
| C11 | C10 | C9 | H7 | 69.6° | 54.8° |
| C11 | C10 | C9 | H8 | 51.2° | 65.2° |
| C11 | C10 | N16 | H17 | 70.6° | 25.0° |
| C10 | C11 | O40 | H18 | 180.0° | 60.0° |
| C12 | C11 | O40 | H4 | 119.8° | 119.9° |
| C11 | C12 | N13 | H5 | 120.6° | 120.0° |
| C11 | C12 | N13 | H6 | 120.5° | 120.0° |
| C11 | C12 | N13 | C14 | 169.1° | 178.2° |
| C12 | C11 | C10 | H3 | 52.5° | 56.1° |
| C11 | C12 | H5 | H6 | 118.3° | 119.9° |
| C12 | C11 | O40 | H18 | 62.2° | 60.0° |
| C11 | C12 | N13 | H19 | 48.0° | 57.9° |
| O40 | C11 | C12 | N13 | 57.5° | 64.1° |
| O40 | C11 | C10 | H3 | 57.0° | 176.1° |
| O40 | C11 | C12 | H5 | 178.0° | 175.9° |
| O40 | C11 | C12 | H6 | 63.1° | 55.9° |
| C12 | N13 | C14 | H19 | 121.1° | 124.0° |
| C12 | N13 | C14 | C29 | 57.5° | 59.1° |
| C12 | N13 | C14 | C25 | 179.8° | 179.1° |
| C12 | N13 | C14 | C30 | 65.5° | 60.9° |
| N13 | C12 | C11 | H4 | 63.3° | 55.9° |
| N13 | C12 | H5 | H6 | 118.4° | 120.1° |
| N13 | C14 | C29 | C28 | 165.7° | 60.0° |
| N13 | C14 | C29 | C25 | 125.1° | 120.0° |
| N13 | C14 | C29 | C30 | 118.4° | 120.0° |
| N13 | C14 | C25 | C30 | 116.7° | 120.0° |
| N13 | C14 | C25 | C26 | 167.3° | 60.0° |
| N13 | C14 | C30 | C31 | 119.1° | 150.9° |
| N13 | C14 | C30 | C35 | 61.5° | 29.4° |
| C14 | N13 | C12 | H5 | 70.3° | 58.2° |
| C14 | N13 | C12 | H6 | 48.6° | 61.9° |
| N13 | C14 | C29 | H21 | 73.0° | 60.0° |
| N13 | C14 | C29 | H22 | 44.5° | 179.9° |
| N13 | C14 | C25 | H29 | 72.1° | 180.0° |
| N13 | C14 | C25 | H30 | 46.7° | 60.0° |
| C28 | C29 | C14 | H21 | 121.2° | 120.0° |
| C28 | C29 | C14 | H22 | 121.2° | 120.0° |
| C29 | C28 | C27 | H23 | 120.6° | 120.0° |
| C29 | C28 | C27 | H24 | 120.6° | 120.0° |
| C28 | C29 | C14 | C25 | 40.7° | 60.0° |
| C28 | C29 | C14 | C30 | 75.8° | 180.0° |
| C29 | C28 | C27 | C26 | 52.8° | 60.0° |
| C28 | C29 | H21 | H22 | 116.2° | 120.0° |
| C29 | C28 | H23 | H24 | 118.1° | 120.0° |
| C29 | C28 | C27 | H25 | 67.4° | 180.0° |
| C29 | C28 | C27 | H26 | 173.0° | 60.0° |
| C14 | C29 | C28 | C27 | 45.2° | 60.0° |
| C29 | C14 | C25 | C30 | 122.9° | 120.0° |
| C29 | C14 | C25 | C26 | 46.9° | 60.0° |
| C29 | C14 | C30 | C31 | 1.0° | 30.9° |
| C29 | C14 | C30 | C35 | 179.7° | 149.4° |
| C29 | C14 | N13 | H19 | 178.6° | 176.9° |
| C14 | C29 | H21 | H22 | 116.2° | 120.0° |
| C14 | C29 | C28 | H23 | 165.8° | 60.0° |
| C14 | C29 | C28 | H24 | 75.4° | 180.0° |
| C29 | C14 | C25 | H29 | 167.5° | 60.0° |
| C29 | C14 | C25 | H30 | 73.8° | 180.0° |
| C28 | C27 | C26 | H25 | 120.2° | 120.1° |
| C28 | C27 | C26 | H26 | 120.2° | 120.0° |
| C28 | C27 | C26 | C25 | 59.0° | 60.0° |
| C27 | C28 | C29 | H21 | 166.4° | 180.0° |
| C27 | C28 | C29 | H22 | 76.1° | 60.0° |
| C27 | C28 | H23 | H24 | 118.1° | 120.0° |
| C28 | C27 | H25 | H26 | 119.5° | 120.0° |
| C28 | C27 | C26 | H27 | 179.0° | 60.0° |
| C28 | C27 | C26 | H28 | 61.1° | 180.0° |
| C14 | C25 | C26 | C27 | 57.5° | 60.0° |
| C14 | C25 | C26 | H29 | 120.6° | 120.0° |
| C14 | C25 | C26 | H30 | 120.7° | 119.9° |
| C25 | C14 | C30 | C31 | 119.1° | 89.1° |
| C25 | C14 | C30 | C35 | 60.3° | 90.7° |
| C25 | C14 | N13 | H19 | 59.1° | 56.9° |
| C25 | C14 | C29 | H21 | 161.9° | 180.0° |
| C25 | C14 | C29 | H22 | 80.5° | 60.0° |
| C14 | C25 | C26 | H27 | 177.6° | 59.9° |
| C14 | C25 | C26 | H28 | 62.5° | 180.0° |
| C14 | C25 | H29 | H30 | 118.0° | 120.0° |
| C30 | C14 | C25 | C26 | 76.0° | 180.0° |
| C14 | C30 | C31 | C35 | 179.3° | 179.7° |
| C14 | C30 | C31 | C32 | 179.9° | 179.7° |
| C14 | C30 | C35 | C34 | 179.3° | 180.0° |
| C30 | C14 | N13 | H19 | 55.6° | 63.1° |
| C30 | C14 | C29 | H21 | 45.4° | 60.0° |
| C30 | C14 | C29 | H22 | 163.0° | 59.9° |
| C30 | C14 | C25 | H29 | 44.7° | 60.0° |
| C30 | C14 | C25 | H30 | 163.4° | 60.1° |
| C14 | C30 | C35 | H31 | 0.7° | 0.1° |
| C14 | C30 | C31 | H43 | 0.1° | 0.0° |
| C27 | C26 | C25 | H27 | 120.1° | 120.0° |
| C27 | C26 | C25 | H28 | 120.0° | 120.0° |
| C26 | C27 | C28 | H23 | 173.4° | 60.0° |
| C26 | C27 | C28 | H24 | 67.8° | 180.0° |
| C26 | C27 | H25 | H26 | 119.5° | 120.0° |
| C27 | C26 | H27 | H28 | 119.8° | 120.0° |
| C27 | C26 | C25 | H29 | 178.1° | 60.0° |
| C27 | C26 | C25 | H30 | 63.2° | 180.0° |
| C25 | C26 | C27 | H25 | 61.2° | 179.9° |
| C25 | C26 | C27 | H26 | 179.1° | 60.0° |
| C25 | C26 | H27 | H28 | 119.8° | 120.0° |
| C26 | C25 | H29 | H30 | 118.0° | 120.0° |
| C30 | C31 | C32 | H43 | 180.0° | 179.7° |
| C31 | C30 | C35 | C34 | 0.0° | 0.3° |
| C30 | C31 | C32 | C33 | 0.3° | 0.5° |
| C31 | C30 | C35 | H31 | 180.0° | 179.8° |
| C30 | C31 | C32 | H42 | 179.8° | 179.7° |
| C35 | C30 | C31 | C32 | 0.5° | 0.5° |
| C30 | C35 | C34 | H31 | 180.0° | 179.9° |
| C30 | C35 | C34 | C33 | 1.4° | 0.1° |
| C30 | C35 | C34 | C36 | 179.6° | 180.0° |
| C35 | C30 | C31 | H43 | 179.4° | 179.7° |
| C31 | C32 | C33 | H42 | 180.0° | 179.8° |
| C31 | C32 | C33 | C34 | 1.7° | 0.3° |
| C31 | C32 | C33 | H41 | 178.3° | 179.7° |
| C35 | C34 | C33 | C32 | 2.2° | 0.0° |
| C35 | C34 | C36 | C39 | 74.4° | 55.2° |
| C35 | C34 | C33 | C36 | 179.1° | 179.9° |
| C35 | C34 | C36 | C38 | 43.3° | 64.8° |
| C35 | C34 | C36 | C37 | 160.6° | 175.2° |
| C35 | C34 | C33 | H41 | 177.8° | 179.9° |
| C32 | C33 | C34 | H41 | 180.0° | 180.0° |
| C32 | C33 | C34 | C36 | 178.7° | 180.0° |
| C33 | C32 | C31 | H43 | 179.8° | 179.7° |
| C39 | C36 | C34 | C33 | 104.6° | 124.9° |
| C39 | C36 | C34 | C38 | 117.8° | 120.0° |
| C39 | C36 | C34 | C37 | 125.0° | 120.0° |
| C39 | C36 | C38 | C37 | 121.4° | 120.0° |
| C36 | C39 | H32 | H33 | 120.0° | 120.1° |
| C36 | C39 | H32 | H34 | 120.0° | 120.0° |
| C36 | C39 | H33 | H34 | 120.0° | 120.0° |
| C39 | C36 | C38 | H35 | 180.0° | 180.0° |
| C39 | C36 | C38 | H36 | 60.0° | 60.0° |
| C39 | C36 | C38 | H37 | 60.0° | 60.0° |
| C39 | C36 | C37 | H38 | 180.0° | 60.1° |
| C39 | C36 | C37 | H39 | 60.0° | 60.0° |
| C39 | C36 | C37 | H40 | 60.0° | 180.0° |
| C33 | C34 | C36 | C38 | 137.6° | 115.1° |
| C33 | C34 | C36 | C37 | 20.4° | 4.9° |
| C33 | C34 | C35 | H31 | 178.6° | 179.9° |
| C34 | C33 | C32 | H42 | 178.3° | 180.0° |
| C34 | C36 | C38 | C37 | 119.6° | 120.1° |
| C36 | C34 | C35 | H31 | 0.4° | 0.1° |
| C34 | C36 | C39 | H32 | 180.0° | 65.2° |
| C34 | C36 | C39 | H33 | 60.0° | 174.8° |
| C34 | C36 | C39 | H34 | 60.0° | 54.8° |
| C34 | C36 | C38 | H35 | 61.0° | 60.1° |
| C34 | C36 | C38 | H36 | 179.0° | 180.0° |
| C34 | C36 | C38 | H37 | 59.0° | 60.0° |
| C34 | C36 | C37 | H38 | 59.6° | 59.9° |
| C34 | C36 | C37 | H39 | 60.4° | 180.0° |
| C34 | C36 | C37 | H40 | 179.6° | 60.0° |
| C36 | C34 | C33 | H41 | 1.3° | 0.0° |
| C38 | C36 | C39 | H32 | 55.0° | 54.8° |
| C38 | C36 | C39 | H33 | 175.0° | 65.2° |
| C38 | C36 | C39 | H34 | 65.0° | 174.8° |
| C36 | C38 | H35 | H36 | 120.0° | 120.0° |
| C36 | C38 | H35 | H37 | 120.0° | 120.0° |
| C36 | C38 | H36 | H37 | 120.0° | 120.0° |
| C38 | C36 | C37 | H38 | 65.4° | 180.0° |
| C38 | C36 | C37 | H39 | 174.6° | 59.9° |
| C38 | C36 | C37 | H40 | 54.6° | 60.0° |
| C37 | C36 | C39 | H32 | 59.0° | 174.8° |
| C37 | C36 | C39 | H33 | 61.0° | 54.8° |
| C37 | C36 | C39 | H34 | 179.0° | 65.2° |
| C37 | C36 | C38 | H35 | 58.6° | 60.0° |
| C37 | C36 | C38 | H36 | 61.4° | 60.0° |
| C37 | C36 | C38 | H37 | 178.6° | 179.9° |
| C36 | C37 | H38 | H39 | 120.0° | 120.1° |
| C36 | C37 | H38 | H40 | 120.0° | 119.9° |
| C36 | C37 | H39 | H40 | 120.0° | 119.9° |
| H3 | C10 | C11 | H4 | 179.3° | 63.9° |
| H3 | C10 | C9 | H7 | 52.1° | 65.2° |
| H3 | C10 | C9 | H8 | 172.9° | 174.8° |
| H3 | C10 | N16 | H17 | 170.8° | 145.0° |
| H4 | C11 | C12 | H5 | 57.2° | 64.2° |
| H4 | C11 | C12 | H6 | 176.1° | 175.9° |
| H4 | C11 | O40 | H18 | 57.6° | 180.0° |
| H5 | C12 | N13 | H19 | 168.6° | 177.9° |
| H6 | C12 | N13 | H19 | 72.5° | 62.1° |
| H10 | C18 | C19 | H12 | 170.1° | 180.0° |
| H10 | C18 | C19 | H13 | 51.9° | 60.1° |
| H11 | C18 | C19 | H12 | 70.1° | 60.0° |
| H11 | C18 | C19 | H13 | 171.6° | 179.9° |
| H12 | C19 | C20 | H14 | 49.7° | 175.0° |
| H13 | C19 | C20 | H14 | 68.6° | 65.0° |
| H14 | C20 | O41 | H15 | 59.3° | 180.0° |
| H21 | C29 | C28 | H23 | 73.0° | 60.0° |
| H21 | C29 | C28 | H24 | 45.8° | 60.0° |
| H22 | C29 | C28 | H23 | 44.6° | 180.0° |
| H22 | C29 | C28 | H24 | 163.3° | 60.0° |
| H23 | C28 | C27 | H25 | 53.3° | 60.1° |
| H23 | C28 | C27 | H26 | 66.4° | 180.0° |
| H24 | C28 | C27 | H25 | 172.0° | 60.0° |
| H24 | C28 | C27 | H26 | 52.3° | 60.0° |
| H25 | C27 | C26 | H27 | 58.9° | 60.1° |
| H25 | C27 | C26 | H28 | 178.8° | 60.0° |
| H26 | C27 | C26 | H27 | 60.8° | 180.0° |
| H26 | C27 | C26 | H28 | 59.1° | 60.0° |
| H27 | C26 | C25 | H29 | 61.8° | 180.0° |
| H27 | C26 | C25 | H30 | 56.9° | 60.0° |
| H28 | C26 | C25 | H29 | 58.1° | 60.0° |
| H28 | C26 | C25 | H30 | 176.8° | 60.1° |
| H32 | C39 | H33 | H34 | 120.0° | 119.9° |
| H35 | C38 | H36 | H37 | 120.0° | 120.0° |
| H38 | C37 | H39 | H40 | 120.0° | 120.0° |
| H41 | C33 | C32 | H42 | 1.7° | 0.1° |
| H42 | C32 | C31 | H43 | 0.2° | 0.0° |
