BJX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C9 | sing | 1.53Å | 1.53Å | |
| C12 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C5 | sing | 1.53Å | 1.53Å | |
| C11 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.48Å | |
| C5 | N1 | sing | 1.46Å | 1.44Å | |
| O | C16 | doub | 1.21Å | 1.22Å | |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.49Å | Aromatic |
| C26 | C25 | sing | 1.53Å | 1.51Å | |
| C25 | O1 | sing | 1.43Å | 1.43Å | |
| C16 | N1 | sing | 1.35Å | 1.32Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C | N | sing | 1.47Å | 1.46Å | |
| C | C2 | sing | 1.53Å | 1.52Å | |
| C14 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | N | sing | 1.40Å | 1.40Å | |
| N | C1 | sing | 1.47Å | 1.46Å | |
| C2 | C4 | sing | 1.53Å | 1.52Å | |
| O1 | C21 | sing | 1.36Å | 1.36Å | |
| C19 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C21 | C23 | sing | 1.40Å | 1.47Å | Aromatic |
| C18 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C1 | C3 | sing | 1.53Å | 1.52Å | |
| O2 | C24 | doub | 1.21Å | 1.34Å | |
| C20 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.47Å | 1.49Å | |
| C23 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
| C24 | O3 | sing | 1.35Å | 1.22Å | |
| C9 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C5 | H18 | sing | 1.09Å | 1.10Å | |
| C4 | H19 | sing | 1.09Å | 1.10Å | |
| C4 | H20 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å | |
| C1 | H25 | sing | 1.09Å | 1.10Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å | |
| C | H27 | sing | 1.09Å | 1.10Å | |
| C | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.08Å | 1.08Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| N1 | H35 | sing | 0.97Å | 1.00Å | |
| O3 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C9 | C12 | 111.7° | 109.5° |
| C13 | C9 | C8 | 110.5° | 109.5° |
| C13 | C9 | H1 | 106.9° | 109.5° |
| C9 | C13 | H7 | 109.5° | 109.4° |
| C9 | C13 | H8 | 109.5° | 109.4° |
| C9 | C13 | H9 | 109.5° | 109.5° |
| C12 | C9 | C8 | 113.7° | 109.5° |
| C12 | C9 | H1 | 106.8° | 109.5° |
| C9 | C12 | H4 | 109.5° | 109.5° |
| C9 | C12 | H5 | 109.5° | 109.4° |
| C9 | C12 | H6 | 109.4° | 109.5° |
| C9 | C8 | C5 | 113.9° | 109.5° |
| C8 | C9 | H1 | 106.8° | 109.5° |
| C9 | C8 | H16 | 108.4° | 109.5° |
| C9 | C8 | H17 | 108.4° | 109.5° |
| C8 | C5 | C7 | 114.9° | 109.5° |
| C8 | C5 | N1 | 111.0° | 109.5° |
| C5 | C8 | H16 | 108.4° | 109.5° |
| C5 | C8 | H17 | 108.3° | 109.4° |
| C8 | C5 | H18 | 107.2° | 109.5° |
| C15 | C11 | C7 | 120.5° | 120.1° |
| C11 | C15 | C14 | 120.5° | 120.1° |
| C15 | C11 | H3 | 119.7° | 119.9° |
| C11 | C15 | H11 | 119.8° | 120.0° |
| C11 | C7 | C5 | 115.6° | 120.0° |
| C11 | C7 | C6 | 119.2° | 119.9° |
| C7 | C11 | H3 | 119.7° | 120.0° |
| C7 | C5 | N1 | 107.4° | 109.5° |
| C5 | C7 | C6 | 125.3° | 120.0° |
| C7 | C5 | H18 | 107.8° | 109.5° |
| C5 | N1 | C16 | 117.2° | 120.0° |
| N1 | C5 | H18 | 108.3° | 109.5° |
| C5 | N1 | H35 | 121.4° | 120.0° |
| O | C16 | N1 | 121.3° | 120.0° |
| O | C16 | C17 | 120.5° | 120.0° |
| C15 | C14 | C10 | 121.2° | 120.0° |
| C15 | C14 | H10 | 119.4° | 120.0° |
| C14 | C15 | H11 | 119.7° | 119.9° |
| C7 | C6 | C10 | 117.8° | 119.8° |
| C7 | C6 | N | 125.7° | 120.1° |
| C26 | C25 | O1 | 110.6° | 109.5° |
| C26 | C25 | H30 | 109.2° | 109.5° |
| C26 | C25 | H31 | 109.2° | 109.5° |
| C25 | C26 | H32 | 109.5° | 109.5° |
| C25 | C26 | H33 | 109.5° | 109.4° |
| C25 | C26 | H34 | 109.5° | 109.5° |
| C25 | O1 | C21 | 116.9° | 117.0° |
| O1 | C25 | H30 | 109.2° | 109.5° |
| O1 | C25 | H31 | 109.2° | 109.5° |
| N1 | C16 | C17 | 118.2° | 120.0° |
| C16 | N1 | H35 | 121.4° | 120.0° |
| C16 | C17 | C18 | 110.1° | 109.5° |
| C16 | C17 | H12 | 109.3° | 109.4° |
| C16 | C17 | H13 | 109.3° | 109.5° |
| N | C | C2 | 107.0° | 109.5° |
| C | N | C6 | 120.5° | 111.0° |
| C | N | C1 | 121.2° | 111.2° |
| N | C | H27 | 110.1° | 109.5° |
| N | C | H28 | 110.1° | 109.5° |
| C | C2 | C4 | 111.8° | 109.3° |
| C | C2 | H23 | 108.9° | 109.5° |
| C | C2 | H24 | 108.9° | 109.5° |
| C2 | C | H27 | 110.1° | 109.5° |
| C2 | C | H28 | 110.1° | 109.5° |
| C14 | C10 | C6 | 120.8° | 120.0° |
| C14 | C10 | H2 | 119.6° | 120.0° |
| C10 | C14 | H10 | 119.4° | 120.0° |
| C10 | C6 | N | 116.5° | 120.1° |
| C6 | C10 | H2 | 119.6° | 120.0° |
| C6 | N | C1 | 118.2° | 111.0° |
| N | C1 | C3 | 107.3° | 109.6° |
| N | C1 | H25 | 110.0° | 109.5° |
| N | C1 | H26 | 110.0° | 109.5° |
| C2 | C4 | C3 | 111.0° | 109.1° |
| C2 | C4 | H19 | 109.1° | 109.5° |
| C2 | C4 | H20 | 109.1° | 109.6° |
| C4 | C2 | H23 | 108.9° | 109.5° |
| C4 | C2 | H24 | 108.9° | 109.5° |
| O1 | C21 | C19 | 120.1° | 120.1° |
| O1 | C21 | C23 | 120.3° | 120.1° |
| C21 | C19 | C18 | 119.3° | 120.1° |
| C19 | C21 | C23 | 119.7° | 119.7° |
| C21 | C19 | H14 | 120.3° | 120.0° |
| C19 | C18 | C17 | 119.4° | 119.8° |
| C19 | C18 | C20 | 121.3° | 120.4° |
| C18 | C19 | H14 | 120.3° | 119.9° |
| C17 | C18 | C20 | 119.3° | 119.8° |
| C18 | C17 | H12 | 109.3° | 109.5° |
| C18 | C17 | H13 | 109.3° | 109.5° |
| C21 | C23 | C24 | 118.5° | 120.2° |
| C21 | C23 | C22 | 119.4° | 119.6° |
| C18 | C20 | C22 | 121.5° | 120.3° |
| C18 | C20 | H15 | 119.3° | 119.8° |
| C4 | C3 | C1 | 113.2° | 109.3° |
| C3 | C4 | H19 | 109.1° | 109.5° |
| C3 | C4 | H20 | 109.1° | 109.5° |
| C4 | C3 | H21 | 108.5° | 109.5° |
| C4 | C3 | H22 | 108.5° | 109.5° |
| C1 | C3 | H21 | 108.5° | 109.6° |
| C1 | C3 | H22 | 108.5° | 109.6° |
| C3 | C1 | H25 | 110.0° | 109.4° |
| C3 | C1 | H26 | 110.0° | 109.5° |
| O2 | C24 | C23 | 118.9° | 120.0° |
| O2 | C24 | O3 | 120.8° | 120.0° |
| C20 | C22 | C23 | 118.8° | 119.9° |
| C22 | C20 | H15 | 119.3° | 119.9° |
| C20 | C22 | H29 | 120.6° | 120.0° |
| C24 | C23 | C22 | 122.2° | 120.2° |
| C23 | C24 | O3 | 120.3° | 119.9° |
| C23 | C22 | H29 | 120.6° | 120.1° |
| C24 | O3 | H36 | 109.5° | 116.9° |
| H4 | C12 | H5 | 109.5° | 109.5° |
| H4 | C12 | H6 | 109.5° | 109.5° |
| H5 | C12 | H6 | 109.5° | 109.4° |
| H7 | C13 | H8 | 109.4° | 109.5° |
| H7 | C13 | H9 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H12 | C17 | H13 | 109.5° | 109.4° |
| H16 | C8 | H17 | 109.5° | 109.5° |
| H19 | C4 | H20 | 109.5° | 109.6° |
| H21 | C3 | H22 | 109.5° | 109.5° |
| H23 | C2 | H24 | 109.4° | 109.5° |
| H25 | C1 | H26 | 109.5° | 109.5° |
| H27 | C | H28 | 109.5° | 109.4° |
| H30 | C25 | H31 | 109.5° | 109.4° |
| H32 | C26 | H33 | 109.4° | 109.5° |
| H32 | C26 | H34 | 109.5° | 109.5° |
| H33 | C26 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C9 | C12 | C8 | 125.9° | 120.0° |
| C13 | C9 | C12 | H1 | 116.5° | 120.0° |
| C13 | C9 | C8 | H1 | 115.9° | 120.0° |
| C13 | C9 | C8 | C5 | 132.6° | 174.7° |
| C13 | C9 | C12 | H4 | 180.0° | 69.3° |
| C13 | C9 | C12 | H5 | 60.0° | 50.7° |
| C13 | C9 | C12 | H6 | 60.0° | 170.6° |
| C9 | C13 | H7 | H8 | 120.0° | 119.9° |
| C9 | C13 | H7 | H9 | 120.0° | 120.0° |
| C9 | C13 | H8 | H9 | 120.0° | 120.0° |
| C13 | C9 | C8 | H16 | 12.0° | 54.6° |
| C13 | C9 | C8 | H17 | 106.7° | 65.4° |
| C12 | C9 | C8 | H1 | 117.6° | 120.0° |
| C12 | C9 | C8 | C5 | 6.1° | 65.3° |
| C9 | C12 | H4 | H5 | 120.0° | 120.0° |
| C9 | C12 | H4 | H6 | 120.0° | 120.0° |
| C9 | C12 | H5 | H6 | 120.0° | 120.0° |
| C12 | C9 | C13 | H7 | 180.0° | 180.0° |
| C12 | C9 | C13 | H8 | 60.0° | 60.0° |
| C12 | C9 | C13 | H9 | 60.0° | 60.0° |
| C12 | C9 | C8 | H16 | 114.5° | 174.7° |
| C12 | C9 | C8 | H17 | 126.7° | 54.7° |
| C9 | C8 | C5 | H16 | 120.6° | 120.0° |
| C9 | C8 | C5 | H17 | 120.6° | 120.0° |
| C9 | C8 | C5 | C7 | 99.6° | 172.8° |
| C9 | C8 | C5 | N1 | 138.3° | 67.1° |
| C8 | C9 | C12 | H4 | 54.1° | 50.7° |
| C8 | C9 | C12 | H5 | 174.1° | 170.7° |
| C8 | C9 | C12 | H6 | 65.9° | 69.3° |
| C8 | C9 | C13 | H7 | 52.4° | 60.0° |
| C8 | C9 | C13 | H8 | 67.6° | 180.0° |
| C8 | C9 | C13 | H9 | 172.4° | 60.0° |
| C9 | C8 | H16 | H17 | 118.0° | 120.0° |
| C9 | C8 | C5 | H18 | 20.2° | 52.8° |
| C8 | C5 | C7 | C11 | 126.6° | 93.9° |
| C8 | C5 | C7 | N1 | 124.0° | 120.0° |
| C8 | C5 | C7 | H18 | 119.5° | 120.0° |
| C8 | C5 | N1 | H18 | 117.4° | 120.0° |
| C8 | C5 | C7 | C6 | 55.0° | 86.4° |
| C8 | C5 | N1 | C16 | 107.3° | 153.2° |
| C5 | C8 | C9 | H1 | 111.5° | 54.7° |
| C5 | C8 | H16 | H17 | 118.0° | 120.0° |
| C8 | C5 | N1 | H35 | 72.7° | 26.9° |
| C15 | C11 | C7 | H3 | 180.0° | 179.7° |
| C15 | C11 | C7 | C5 | 179.6° | 180.0° |
| C11 | C15 | C14 | H11 | 180.0° | 180.0° |
| C15 | C11 | C7 | C6 | 1.1° | 0.2° |
| C11 | C15 | C14 | C10 | 0.3° | 0.1° |
| C11 | C15 | C14 | H10 | 179.7° | 180.0° |
| C11 | C7 | C5 | C6 | 178.4° | 179.8° |
| C11 | C7 | C5 | N1 | 109.4° | 26.2° |
| C7 | C11 | C15 | C14 | 0.8° | 0.3° |
| C11 | C7 | C6 | C10 | 0.9° | 0.0° |
| C11 | C7 | C6 | N | 179.4° | 180.0° |
| C7 | C11 | C15 | H11 | 179.2° | 179.8° |
| C11 | C7 | C5 | H18 | 7.1° | 146.2° |
| C7 | C5 | N1 | H18 | 116.2° | 120.0° |
| C7 | C5 | N1 | C16 | 126.3° | 86.8° |
| C5 | C7 | C6 | C10 | 179.3° | 179.7° |
| C5 | C7 | C6 | N | 1.0° | 0.3° |
| C5 | C7 | C11 | H3 | 0.4° | 0.3° |
| C7 | C5 | C8 | H16 | 21.0° | 52.8° |
| C7 | C5 | C8 | H17 | 139.8° | 67.2° |
| C7 | C5 | N1 | H35 | 53.7° | 93.2° |
| C5 | N1 | C16 | O | 4.4° | 5.2° |
| N1 | C5 | C7 | C6 | 69.0° | 153.6° |
| C5 | N1 | C16 | H35 | 180.0° | 179.9° |
| C5 | N1 | C16 | C17 | 176.3° | 174.8° |
| N1 | C5 | C8 | H16 | 101.1° | 172.8° |
| N1 | C5 | C8 | H17 | 17.6° | 52.8° |
| O | C16 | N1 | C17 | 179.3° | 180.0° |
| O | C16 | C17 | C18 | 150.3° | 0.0° |
| O | C16 | C17 | H12 | 30.2° | 120.0° |
| O | C16 | C17 | H13 | 89.6° | 120.0° |
| O | C16 | N1 | H35 | 175.6° | 174.7° |
| C15 | C14 | C10 | H10 | 180.0° | 180.0° |
| C15 | C14 | C10 | C6 | 0.1° | 0.2° |
| C15 | C14 | C10 | H2 | 179.9° | 180.0° |
| C14 | C15 | C11 | H3 | 179.3° | 180.0° |
| C7 | C6 | N | C | 88.2° | 115.7° |
| C7 | C6 | C10 | C14 | 0.4° | 0.2° |
| C7 | C6 | C10 | N | 179.7° | 180.0° |
| C7 | C6 | N | C1 | 94.4° | 120.0° |
| C7 | C6 | C10 | H2 | 179.6° | 180.0° |
| C6 | C7 | C11 | H3 | 179.0° | 179.9° |
| C6 | C7 | C5 | H18 | 174.5° | 33.6° |
| C26 | C25 | O1 | H30 | 120.2° | 120.0° |
| C26 | C25 | O1 | H31 | 120.1° | 120.0° |
| C26 | C25 | O1 | C21 | 161.0° | 180.0° |
| C26 | C25 | H30 | H31 | 119.5° | 120.0° |
| C25 | C26 | H32 | H33 | 120.0° | 119.9° |
| C25 | C26 | H32 | H34 | 120.0° | 120.0° |
| C25 | C26 | H33 | H34 | 120.0° | 120.0° |
| C25 | O1 | C21 | C19 | 42.9° | 0.0° |
| C25 | O1 | C21 | C23 | 136.9° | 180.0° |
| O1 | C25 | H30 | H31 | 119.5° | 120.0° |
| O1 | C25 | C26 | H32 | 180.0° | 180.0° |
| O1 | C25 | C26 | H33 | 60.0° | 60.1° |
| O1 | C25 | C26 | H34 | 60.0° | 60.0° |
| N1 | C16 | C17 | C18 | 30.4° | 180.0° |
| N1 | C16 | C17 | H12 | 150.5° | 60.0° |
| N1 | C16 | C17 | H13 | 89.7° | 59.9° |
| C16 | N1 | C5 | H18 | 10.1° | 33.2° |
| C16 | C17 | C18 | C19 | 45.8° | 89.7° |
| C16 | C17 | C18 | H12 | 120.1° | 120.0° |
| C16 | C17 | C18 | H13 | 120.1° | 120.1° |
| C16 | C17 | C18 | C20 | 135.7° | 90.0° |
| C16 | C17 | H12 | H13 | 119.7° | 120.0° |
| C17 | C16 | N1 | H35 | 3.6° | 5.3° |
| N | C | C2 | H27 | 119.6° | 120.0° |
| N | C | C2 | H28 | 119.6° | 120.0° |
| C | N | C6 | C10 | 91.5° | 64.3° |
| C | N | C6 | C1 | 177.3° | 124.2° |
| N | C | C2 | C4 | 62.5° | 59.2° |
| C | N | C1 | C3 | 30.8° | 61.7° |
| N | C | C2 | H23 | 57.8° | 60.8° |
| N | C | C2 | H24 | 177.1° | 179.1° |
| C | N | C1 | H25 | 150.5° | 58.3° |
| C | N | C1 | H26 | 88.9° | 178.3° |
| N | C | H27 | H28 | 121.2° | 119.9° |
| C2 | C | N | C6 | 150.0° | 174.1° |
| C2 | C | N | C1 | 27.2° | 61.7° |
| C | C2 | C4 | H23 | 120.4° | 120.0° |
| C | C2 | C4 | H24 | 120.4° | 119.9° |
| C | C2 | C4 | C3 | 35.2° | 57.7° |
| C | C2 | C4 | H19 | 155.4° | 177.6° |
| C | C2 | C4 | H20 | 85.1° | 62.2° |
| C | C2 | H23 | H24 | 118.9° | 120.1° |
| C2 | C | H27 | H28 | 121.2° | 120.0° |
| C14 | C10 | C6 | H2 | 180.0° | 179.8° |
| C14 | C10 | C6 | N | 179.8° | 179.7° |
| C10 | C14 | C15 | H11 | 179.7° | 180.0° |
| C10 | C6 | N | C1 | 85.8° | 60.0° |
| C6 | C10 | C14 | H10 | 179.9° | 179.8° |
| C6 | N | C1 | C3 | 151.9° | 174.1° |
| N | C6 | C10 | H2 | 0.1° | 0.0° |
| C6 | N | C1 | H25 | 32.2° | 65.9° |
| C6 | N | C1 | H26 | 88.4° | 54.1° |
| C6 | N | C | H27 | 30.4° | 54.1° |
| C6 | N | C | H28 | 90.4° | 65.8° |
| N | C1 | C3 | C4 | 59.3° | 59.2° |
| N | C1 | C3 | H25 | 119.7° | 120.0° |
| N | C1 | C3 | H26 | 119.7° | 120.0° |
| N | C1 | C3 | H21 | 179.9° | 179.1° |
| N | C1 | C3 | H22 | 61.2° | 60.8° |
| N | C1 | H25 | H26 | 121.0° | 120.0° |
| C1 | N | C | H27 | 146.8° | 178.3° |
| C1 | N | C | H28 | 92.4° | 58.3° |
| C2 | C4 | C3 | H19 | 120.2° | 119.9° |
| C2 | C4 | C3 | H20 | 120.2° | 119.9° |
| C2 | C4 | C3 | C1 | 25.9° | 57.6° |
| C2 | C4 | H19 | H20 | 119.3° | 120.2° |
| C2 | C4 | C3 | H21 | 146.4° | 177.6° |
| C2 | C4 | C3 | H22 | 94.7° | 62.4° |
| C4 | C2 | H23 | H24 | 118.9° | 120.1° |
| C4 | C2 | C | H27 | 177.9° | 179.2° |
| C4 | C2 | C | H28 | 57.1° | 60.8° |
| O1 | C21 | C19 | C23 | 179.7° | 180.0° |
| O1 | C21 | C19 | C18 | 178.8° | 180.0° |
| O1 | C21 | C23 | C24 | 0.5° | 0.0° |
| O1 | C21 | C23 | C22 | 179.2° | 179.7° |
| O1 | C21 | C19 | H14 | 1.1° | 0.1° |
| C21 | O1 | C25 | H30 | 78.9° | 60.0° |
| C21 | O1 | C25 | H31 | 40.8° | 60.0° |
| C21 | C19 | C18 | H14 | 180.0° | 180.0° |
| C21 | C19 | C18 | C17 | 179.9° | 180.0° |
| C21 | C19 | C18 | C20 | 1.3° | 0.3° |
| C19 | C21 | C23 | C24 | 179.7° | 180.0° |
| C19 | C21 | C23 | C22 | 0.5° | 0.3° |
| C19 | C18 | C17 | C20 | 178.6° | 179.7° |
| C18 | C19 | C21 | C23 | 0.9° | 0.0° |
| C19 | C18 | C20 | C22 | 1.3° | 0.2° |
| C19 | C18 | C17 | H12 | 74.4° | 150.3° |
| C19 | C18 | C17 | H13 | 165.9° | 30.3° |
| C19 | C18 | C20 | H15 | 178.6° | 179.7° |
| C17 | C18 | C20 | C22 | 179.9° | 179.9° |
| C18 | C17 | H12 | H13 | 119.7° | 120.0° |
| C17 | C18 | C19 | H14 | 0.1° | 0.1° |
| C17 | C18 | C20 | H15 | 0.1° | 0.0° |
| C21 | C23 | C24 | O2 | 9.5° | 0.0° |
| C21 | C23 | C22 | C20 | 0.5° | 0.4° |
| C21 | C23 | C24 | C22 | 179.8° | 179.6° |
| C21 | C23 | C24 | O3 | 169.8° | 180.0° |
| C23 | C21 | C19 | H14 | 179.1° | 179.9° |
| C21 | C23 | C22 | H29 | 179.5° | 179.7° |
| C18 | C20 | C22 | H15 | 180.0° | 180.0° |
| C18 | C20 | C22 | C23 | 0.9° | 0.1° |
| C20 | C18 | C17 | H12 | 104.2° | 30.0° |
| C20 | C18 | C17 | H13 | 15.5° | 150.0° |
| C20 | C18 | C19 | H14 | 178.7° | 179.8° |
| C18 | C20 | C22 | H29 | 179.1° | 180.0° |
| C4 | C3 | C1 | H21 | 120.5° | 120.0° |
| C4 | C3 | C1 | H22 | 120.5° | 119.9° |
| C3 | C4 | H19 | H20 | 119.3° | 120.1° |
| C4 | C3 | H21 | H22 | 118.3° | 120.0° |
| C3 | C4 | C2 | H23 | 85.2° | 62.3° |
| C3 | C4 | C2 | H24 | 155.5° | 177.6° |
| C4 | C3 | C1 | H25 | 179.0° | 60.9° |
| C4 | C3 | C1 | H26 | 60.3° | 179.2° |
| C1 | C3 | C4 | H19 | 94.3° | 177.5° |
| C1 | C3 | C4 | H20 | 146.1° | 62.3° |
| C1 | C3 | H21 | H22 | 118.3° | 120.2° |
| C3 | C1 | H25 | H26 | 121.0° | 119.9° |
| O2 | C24 | C23 | O3 | 179.3° | 180.0° |
| O2 | C24 | C23 | C22 | 170.3° | 179.7° |
| O2 | C24 | O3 | H36 | 0.0° | 0.0° |
| C20 | C22 | C23 | C24 | 179.7° | 180.0° |
| C20 | C22 | C23 | H29 | 180.0° | 179.9° |
| C24 | C23 | C22 | H29 | 0.2° | 0.1° |
| C23 | C24 | O3 | H36 | 179.3° | 180.0° |
| C22 | C23 | C24 | O3 | 10.4° | 0.3° |
| C23 | C22 | C20 | H15 | 179.1° | 179.9° |
| H1 | C9 | C12 | H4 | 63.5° | 170.7° |
| H1 | C9 | C12 | H5 | 56.5° | 69.3° |
| H1 | C9 | C12 | H6 | 176.5° | 50.6° |
| H1 | C9 | C13 | H7 | 63.5° | 60.0° |
| H1 | C9 | C13 | H8 | 176.5° | 60.0° |
| H1 | C9 | C13 | H9 | 56.5° | 180.0° |
| H1 | C9 | C8 | H16 | 127.9° | 65.3° |
| H1 | C9 | C8 | H17 | 9.2° | 174.6° |
| H2 | C10 | C14 | H10 | 0.1° | 0.0° |
| H3 | C11 | C15 | H11 | 0.7° | 0.1° |
| H4 | C12 | H5 | H6 | 120.0° | 120.1° |
| H7 | C13 | H8 | H9 | 120.0° | 120.1° |
| H10 | C14 | C15 | H11 | 0.3° | 0.0° |
| H15 | C20 | C22 | H29 | 0.9° | 0.0° |
| H16 | C8 | C5 | H18 | 140.8° | 67.2° |
| H17 | C8 | C5 | H18 | 100.5° | 172.8° |
| H18 | C5 | N1 | H35 | 169.9° | 146.8° |
| H19 | C4 | C3 | H21 | 26.2° | 62.5° |
| H19 | C4 | C3 | H22 | 145.1° | 57.5° |
| H19 | C4 | C2 | H23 | 35.0° | 57.5° |
| H19 | C4 | C2 | H24 | 84.3° | 62.5° |
| H20 | C4 | C3 | H21 | 93.4° | 57.7° |
| H20 | C4 | C3 | H22 | 25.6° | 177.7° |
| H20 | C4 | C2 | H23 | 154.6° | 177.8° |
| H20 | C4 | C2 | H24 | 35.3° | 57.7° |
| H21 | C3 | C1 | H25 | 60.5° | 59.1° |
| H21 | C3 | C1 | H26 | 60.2° | 60.8° |
| H22 | C3 | C1 | H25 | 58.4° | 179.2° |
| H22 | C3 | C1 | H26 | 179.1° | 59.3° |
| H23 | C2 | C | H27 | 61.7° | 59.2° |
| H23 | C2 | C | H28 | 177.4° | 179.2° |
| H24 | C2 | C | H27 | 57.5° | 60.8° |
| H24 | C2 | C | H28 | 63.3° | 59.1° |
| H30 | C25 | C26 | H32 | 59.8° | 60.0° |
| H30 | C25 | C26 | H33 | 60.1° | 180.0° |
| H30 | C25 | C26 | H34 | 179.8° | 60.0° |
| H31 | C25 | C26 | H32 | 59.9° | 60.0° |
| H31 | C25 | C26 | H33 | 179.8° | 60.0° |
| H31 | C25 | C26 | H34 | 60.1° | 180.0° |
| H32 | C26 | H33 | H34 | 120.0° | 120.1° |
