A1ITJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR30 | C29 | sing | 1.89Å | 1.91Å | |
| C29 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C27 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | N6 | sing | 1.47Å | 1.51Å | |
| O26 | C22 | doub | 1.21Å | 1.23Å | |
| N6 | C7 | sing | 1.46Å | 1.50Å | |
| N6 | C21 | sing | 1.44Å | 1.47Å | |
| C22 | N23 | sing | 1.35Å | 1.34Å | |
| C22 | C21 | sing | 1.51Å | 1.52Å | |
| C24 | N23 | sing | 1.46Å | 1.46Å | |
| C24 | C25 | sing | 1.53Å | 1.50Å | |
| C7 | C8 | sing | 1.47Å | 1.51Å | |
| C21 | C11 | sing | 1.55Å | 1.52Å | |
| C8 | N9 | sing | 1.50Å | 1.47Å | |
| C11 | C10 | sing | 1.55Å | 1.52Å | |
| N9 | C10 | sing | 1.44Å | 1.47Å | |
| N9 | C12 | sing | 1.35Å | 1.34Å | |
| CL18 | C17 | sing | 1.74Å | 1.74Å | |
| C16 | C17 | doub | 1.38Å | 1.36Å | Aromatic |
| C16 | N15 | sing | 1.32Å | 1.33Å | Aromatic |
| C17 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| N15 | C14 | doub | 1.32Å | 1.34Å | Aromatic |
| C19 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.48Å | 1.49Å | |
| C12 | O20 | doub | 1.22Å | 1.21Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.08Å | 1.08Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.08Å | 1.08Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å | |
| C19 | H23 | sing | 1.08Å | 1.08Å | |
| N23 | H24 | sing | 0.97Å | 1.00Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C31 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR30 | C29 | C31 | 119.7° | 120.0° |
| BR30 | C29 | C28 | 119.0° | 120.0° |
| C31 | C29 | C28 | 121.3° | 120.0° |
| C29 | C31 | C3 | 119.9° | 119.9° |
| C29 | C31 | H29 | 120.0° | 120.0° |
| C29 | C28 | C27 | 118.9° | 120.0° |
| C29 | C28 | H12 | 120.6° | 120.0° |
| C31 | C3 | C2 | 119.4° | 120.0° |
| C31 | C3 | C4 | 119.3° | 120.0° |
| C3 | C31 | H29 | 120.1° | 120.0° |
| C28 | C27 | C4 | 121.4° | 120.0° |
| C27 | C28 | H12 | 120.6° | 120.0° |
| C28 | C27 | H28 | 119.3° | 120.0° |
| C2 | C3 | C4 | 121.3° | 120.0° |
| C3 | C2 | C1 | 112.0° | 109.5° |
| C3 | C2 | H16 | 108.8° | 109.4° |
| C3 | C2 | H17 | 108.8° | 109.4° |
| C3 | C4 | C27 | 119.1° | 120.0° |
| C3 | C4 | C5 | 122.0° | 120.0° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C2 | C1 | H14 | 109.5° | 109.5° |
| C2 | C1 | H15 | 109.5° | 109.5° |
| C1 | C2 | H16 | 108.8° | 109.5° |
| C1 | C2 | H17 | 108.8° | 109.5° |
| C27 | C4 | C5 | 118.8° | 120.0° |
| C4 | C27 | H28 | 119.3° | 120.0° |
| C4 | C5 | N6 | 114.7° | 109.5° |
| C4 | C5 | H1 | 108.2° | 109.5° |
| C4 | C5 | H2 | 108.2° | 109.5° |
| C5 | N6 | C7 | 111.8° | 111.0° |
| C5 | N6 | C21 | 112.0° | 111.0° |
| N6 | C5 | H1 | 108.2° | 109.5° |
| N6 | C5 | H2 | 108.1° | 109.5° |
| O26 | C22 | N23 | 124.6° | 120.0° |
| O26 | C22 | C21 | 120.0° | 120.0° |
| C7 | N6 | C21 | 115.6° | 106.1° |
| N6 | C7 | C8 | 114.3° | 114.4° |
| N6 | C7 | H3 | 108.3° | 108.5° |
| N6 | C7 | H4 | 108.3° | 108.4° |
| N6 | C21 | C22 | 111.8° | 109.2° |
| N6 | C21 | C11 | 112.0° | 110.3° |
| N6 | C21 | H9 | 108.8° | 109.3° |
| N23 | C22 | C21 | 115.3° | 120.0° |
| C22 | N23 | C24 | 123.5° | 120.0° |
| C22 | N23 | H24 | 118.2° | 120.0° |
| C22 | C21 | C11 | 107.7° | 109.4° |
| C22 | C21 | H9 | 108.2° | 109.3° |
| N23 | C24 | C25 | 110.3° | 109.5° |
| N23 | C24 | H10 | 109.3° | 109.5° |
| N23 | C24 | H11 | 109.3° | 109.4° |
| C24 | N23 | H24 | 118.3° | 120.0° |
| C25 | C24 | H10 | 109.2° | 109.5° |
| C25 | C24 | H11 | 109.2° | 109.5° |
| C24 | C25 | H25 | 109.5° | 109.4° |
| C24 | C25 | H26 | 109.5° | 109.4° |
| C24 | C25 | H27 | 109.5° | 109.5° |
| C7 | C8 | N9 | 110.7° | 106.9° |
| C8 | C7 | H3 | 108.3° | 108.5° |
| C8 | C7 | H4 | 108.2° | 108.5° |
| C7 | C8 | H5 | 109.2° | 110.0° |
| C7 | C8 | H6 | 109.2° | 110.0° |
| C21 | C11 | C10 | 116.0° | 109.7° |
| C11 | C21 | H9 | 108.2° | 109.3° |
| C21 | C11 | H19 | 107.8° | 109.4° |
| C21 | C11 | H20 | 107.8° | 109.4° |
| C8 | N9 | C10 | 119.8° | 118.9° |
| C8 | N9 | C12 | 124.0° | 120.6° |
| N9 | C8 | H5 | 109.2° | 109.9° |
| N9 | C8 | H6 | 109.2° | 110.0° |
| C11 | C10 | N9 | 113.4° | 116.2° |
| C11 | C10 | H7 | 108.5° | 108.2° |
| C11 | C10 | H8 | 108.5° | 108.0° |
| C10 | C11 | H19 | 107.8° | 109.4° |
| C10 | C11 | H20 | 107.8° | 109.4° |
| C10 | N9 | C12 | 116.2° | 120.5° |
| N9 | C10 | H7 | 108.5° | 108.1° |
| N9 | C10 | H8 | 108.5° | 108.1° |
| N9 | C12 | C13 | 121.7° | 120.0° |
| N9 | C12 | O20 | 122.0° | 120.0° |
| CL18 | C17 | C16 | 120.7° | 120.3° |
| CL18 | C17 | C19 | 119.2° | 120.3° |
| C17 | C16 | N15 | 123.0° | 121.0° |
| C16 | C17 | C19 | 120.1° | 119.3° |
| C17 | C16 | H22 | 118.5° | 119.5° |
| C16 | N15 | C14 | 117.2° | 121.9° |
| N15 | C16 | H22 | 118.5° | 119.4° |
| C17 | C19 | C13 | 118.3° | 118.2° |
| C17 | C19 | H23 | 120.9° | 120.9° |
| N15 | C14 | C13 | 123.8° | 120.6° |
| N15 | C14 | H21 | 118.1° | 119.7° |
| C19 | C13 | C14 | 117.6° | 118.9° |
| C19 | C13 | C12 | 122.0° | 120.5° |
| C13 | C19 | H23 | 120.8° | 120.9° |
| C14 | C13 | C12 | 120.4° | 120.6° |
| C13 | C14 | H21 | 118.1° | 119.7° |
| C13 | C12 | O20 | 116.3° | 120.0° |
| H1 | C5 | H2 | 109.5° | 109.5° |
| H3 | C7 | H4 | 109.5° | 108.4° |
| H5 | C8 | H6 | 109.5° | 110.1° |
| H7 | C10 | H8 | 109.5° | 108.0° |
| H10 | C24 | H11 | 109.5° | 109.5° |
| H13 | C1 | H14 | 109.5° | 109.4° |
| H13 | C1 | H15 | 109.5° | 109.5° |
| H14 | C1 | H15 | 109.5° | 109.4° |
| H16 | C2 | H17 | 109.5° | 109.5° |
| H19 | C11 | H20 | 109.5° | 109.4° |
| H25 | C25 | H26 | 109.4° | 109.5° |
| H25 | C25 | H27 | 109.5° | 109.5° |
| H26 | C25 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR30 | C29 | C31 | C28 | 179.7° | 179.8° |
| BR30 | C29 | C31 | C3 | 179.8° | 180.0° |
| BR30 | C29 | C28 | C27 | 179.9° | 180.0° |
| BR30 | C29 | C28 | H12 | 0.1° | 0.1° |
| BR30 | C29 | C31 | H29 | 0.2° | 0.2° |
| C29 | C31 | C3 | H29 | 180.0° | 179.8° |
| C31 | C29 | C28 | C27 | 0.2° | 0.2° |
| C29 | C31 | C3 | C2 | 179.9° | 179.9° |
| C29 | C31 | C3 | C4 | 0.0° | 0.1° |
| C31 | C29 | C28 | H12 | 179.9° | 179.7° |
| C28 | C29 | C31 | C3 | 0.1° | 0.2° |
| C29 | C28 | C27 | H12 | 180.0° | 179.9° |
| C29 | C28 | C27 | C4 | 0.2° | 0.0° |
| C29 | C28 | C27 | H28 | 179.8° | 179.9° |
| C28 | C29 | C31 | H29 | 179.9° | 180.0° |
| C31 | C3 | C2 | C4 | 179.8° | 180.0° |
| C31 | C3 | C2 | C1 | 86.6° | 95.0° |
| C31 | C3 | C4 | C27 | 0.1° | 0.3° |
| C31 | C3 | C4 | C5 | 179.9° | 180.0° |
| C31 | C3 | C2 | H16 | 33.7° | 145.0° |
| C31 | C3 | C2 | H17 | 153.0° | 25.0° |
| C28 | C27 | C4 | C3 | 0.1° | 0.3° |
| C28 | C27 | C4 | H28 | 180.0° | 180.0° |
| C28 | C27 | C4 | C5 | 179.9° | 180.0° |
| C3 | C2 | C1 | H16 | 120.4° | 120.0° |
| C3 | C2 | C1 | H17 | 120.4° | 120.0° |
| C2 | C3 | C4 | C27 | 179.9° | 179.7° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C3 | C2 | C1 | H13 | 180.0° | 60.0° |
| C3 | C2 | C1 | H14 | 60.0° | 180.0° |
| C3 | C2 | C1 | H15 | 60.0° | 60.1° |
| C3 | C2 | H16 | H17 | 118.8° | 119.9° |
| C2 | C3 | C31 | H29 | 0.1° | 0.2° |
| C4 | C3 | C2 | C1 | 93.2° | 85.0° |
| C3 | C4 | C27 | C5 | 180.0° | 179.7° |
| C3 | C4 | C5 | N6 | 156.2° | 80.0° |
| C3 | C4 | C5 | H1 | 35.5° | 160.0° |
| C3 | C4 | C5 | H2 | 83.0° | 40.0° |
| C4 | C3 | C2 | H16 | 146.4° | 35.0° |
| C4 | C3 | C2 | H17 | 27.2° | 155.0° |
| C3 | C4 | C27 | H28 | 179.9° | 179.7° |
| C4 | C3 | C31 | H29 | 180.0° | 179.7° |
| C2 | C1 | H13 | H14 | 120.0° | 120.0° |
| C2 | C1 | H13 | H15 | 120.0° | 120.0° |
| C2 | C1 | H14 | H15 | 120.0° | 120.0° |
| C1 | C2 | H16 | H17 | 118.8° | 120.1° |
| C27 | C4 | C5 | N6 | 23.8° | 100.3° |
| C27 | C4 | C5 | H1 | 144.5° | 19.7° |
| C27 | C4 | C5 | H2 | 97.0° | 139.7° |
| C4 | C27 | C28 | H12 | 179.9° | 180.0° |
| C4 | C5 | N6 | H1 | 120.8° | 120.0° |
| C4 | C5 | N6 | H2 | 120.8° | 120.0° |
| C4 | C5 | N6 | C7 | 65.5° | 63.9° |
| C4 | C5 | N6 | C21 | 162.9° | 178.4° |
| C4 | C5 | H1 | H2 | 117.6° | 120.0° |
| C5 | C4 | C27 | H28 | 0.1° | 0.0° |
| C5 | N6 | C7 | C21 | 129.8° | 120.7° |
| C5 | N6 | C21 | C22 | 56.2° | 19.2° |
| C5 | N6 | C7 | C8 | 158.5° | 147.0° |
| C5 | N6 | C21 | C11 | 177.2° | 139.3° |
| N6 | C5 | H1 | H2 | 117.6° | 120.0° |
| C5 | N6 | C7 | H3 | 37.8° | 91.8° |
| C5 | N6 | C7 | H4 | 80.8° | 25.8° |
| C5 | N6 | C21 | H9 | 63.2° | 100.4° |
| O26 | C22 | C21 | N6 | 50.7° | 56.3° |
| O26 | C22 | N23 | C21 | 176.7° | 180.0° |
| O26 | C22 | N23 | C24 | 8.5° | 0.0° |
| O26 | C22 | C21 | C11 | 72.8° | 64.5° |
| O26 | C22 | C21 | H9 | 170.5° | 175.8° |
| O26 | C22 | N23 | H24 | 171.4° | 180.0° |
| C7 | N6 | C21 | C22 | 174.1° | 139.8° |
| N6 | C7 | C8 | H3 | 120.7° | 121.3° |
| N6 | C7 | C8 | H4 | 120.7° | 121.2° |
| C7 | N6 | C21 | C11 | 53.1° | 100.0° |
| N6 | C7 | C8 | N9 | 90.7° | 58.0° |
| C7 | N6 | C5 | H1 | 55.3° | 56.1° |
| C7 | N6 | C5 | H2 | 173.8° | 176.1° |
| N6 | C7 | H3 | H4 | 117.8° | 117.6° |
| N6 | C7 | C8 | H5 | 29.5° | 61.3° |
| N6 | C7 | C8 | H6 | 149.1° | 177.3° |
| C7 | N6 | C21 | H9 | 66.5° | 20.3° |
| N6 | C21 | C22 | N23 | 132.5° | 123.8° |
| N6 | C21 | C22 | C11 | 123.4° | 120.8° |
| N6 | C21 | C22 | H9 | 119.8° | 119.6° |
| C21 | N6 | C7 | C8 | 71.7° | 92.3° |
| N6 | C21 | C11 | H9 | 119.9° | 120.3° |
| N6 | C21 | C11 | C10 | 75.4° | 38.4° |
| C21 | N6 | C5 | H1 | 76.3° | 61.6° |
| C21 | N6 | C5 | H2 | 42.2° | 58.4° |
| C21 | N6 | C7 | H3 | 167.5° | 28.9° |
| C21 | N6 | C7 | H4 | 48.9° | 146.5° |
| N6 | C21 | C11 | H19 | 163.6° | 81.7° |
| N6 | C21 | C11 | H20 | 45.5° | 158.5° |
| C22 | N23 | C24 | H24 | 180.0° | 180.0° |
| C22 | N23 | C24 | C25 | 87.1° | 180.0° |
| N23 | C22 | C21 | C11 | 104.1° | 115.5° |
| N23 | C22 | C21 | H9 | 12.7° | 4.2° |
| C22 | N23 | C24 | H10 | 152.8° | 60.0° |
| C22 | N23 | C24 | H11 | 33.0° | 60.0° |
| C21 | C22 | N23 | C24 | 168.2° | 180.0° |
| C22 | C21 | C11 | H9 | 116.7° | 119.7° |
| C22 | C21 | C11 | C10 | 161.2° | 158.4° |
| C22 | C21 | C11 | H19 | 40.3° | 38.4° |
| C22 | C21 | C11 | H20 | 77.8° | 81.5° |
| C21 | C22 | N23 | H24 | 11.9° | 0.0° |
| N23 | C24 | C25 | H10 | 120.2° | 120.0° |
| N23 | C24 | C25 | H11 | 120.1° | 120.0° |
| N23 | C24 | H10 | H11 | 119.6° | 120.0° |
| N23 | C24 | C25 | H25 | 180.0° | 60.0° |
| N23 | C24 | C25 | H26 | 60.0° | 180.0° |
| N23 | C24 | C25 | H27 | 60.0° | 60.0° |
| C25 | C24 | H10 | H11 | 119.6° | 120.0° |
| C25 | C24 | N23 | H24 | 92.9° | 0.0° |
| C24 | C25 | H25 | H26 | 120.0° | 120.0° |
| C24 | C25 | H25 | H27 | 120.0° | 120.0° |
| C24 | C25 | H26 | H27 | 120.0° | 120.0° |
| C7 | C8 | N9 | H5 | 120.2° | 119.3° |
| C7 | C8 | N9 | H6 | 120.2° | 119.4° |
| C7 | C8 | N9 | C10 | 49.1° | 68.2° |
| C7 | C8 | N9 | C12 | 128.2° | 111.7° |
| C8 | C7 | H3 | H4 | 117.8° | 117.6° |
| C7 | C8 | H5 | H6 | 119.4° | 121.3° |
| C21 | C11 | C10 | H19 | 120.9° | 120.0° |
| C21 | C11 | C10 | H20 | 121.0° | 120.1° |
| C21 | C11 | C10 | N9 | 84.1° | 41.2° |
| C21 | C11 | C10 | H7 | 36.5° | 80.5° |
| C21 | C11 | C10 | H8 | 155.3° | 162.8° |
| C21 | C11 | H19 | H20 | 117.0° | 119.9° |
| C8 | N9 | C10 | C11 | 25.2° | 89.5° |
| C8 | N9 | C10 | C12 | 177.5° | 179.9° |
| C8 | N9 | C12 | C13 | 8.4° | 5.4° |
| C8 | N9 | C12 | O20 | 174.2° | 174.7° |
| N9 | C8 | C7 | H3 | 148.6° | 63.3° |
| N9 | C8 | C7 | H4 | 30.0° | 179.1° |
| N9 | C8 | H5 | H6 | 119.5° | 121.3° |
| C8 | N9 | C10 | H7 | 95.4° | 32.2° |
| C8 | N9 | C10 | H8 | 145.7° | 148.9° |
| C11 | C10 | N9 | H7 | 120.6° | 121.7° |
| C11 | C10 | N9 | H8 | 120.6° | 121.6° |
| C11 | C10 | N9 | C12 | 157.4° | 90.4° |
| C11 | C10 | H7 | H8 | 118.2° | 116.7° |
| C10 | C11 | C21 | H9 | 44.5° | 81.9° |
| C10 | C11 | H19 | H20 | 117.0° | 119.9° |
| C10 | N9 | C12 | C13 | 174.2° | 174.7° |
| C10 | N9 | C12 | O20 | 3.1° | 5.2° |
| C10 | N9 | C8 | H5 | 71.1° | 51.1° |
| C10 | N9 | C8 | H6 | 169.2° | 172.4° |
| N9 | C10 | H7 | H8 | 118.2° | 116.8° |
| N9 | C10 | C11 | H19 | 154.9° | 161.3° |
| N9 | C10 | C11 | H20 | 36.9° | 78.9° |
| N9 | C12 | C13 | C19 | 75.5° | 46.5° |
| N9 | C12 | C13 | C14 | 106.2° | 133.3° |
| N9 | C12 | C13 | O20 | 177.5° | 179.9° |
| C12 | N9 | C8 | H5 | 111.7° | 128.9° |
| C12 | N9 | C8 | H6 | 8.0° | 7.6° |
| C12 | N9 | C10 | H7 | 82.0° | 147.8° |
| C12 | N9 | C10 | H8 | 36.8° | 31.1° |
| CL18 | C17 | C16 | C19 | 179.9° | 179.5° |
| CL18 | C17 | C16 | N15 | 179.9° | 179.8° |
| CL18 | C17 | C19 | C13 | 179.8° | 180.0° |
| CL18 | C17 | C16 | H22 | 0.1° | 0.5° |
| CL18 | C17 | C19 | H23 | 0.2° | 0.4° |
| C17 | C16 | N15 | H22 | 180.0° | 179.8° |
| C17 | C16 | N15 | C14 | 0.3° | 0.0° |
| C16 | C17 | C19 | C13 | 0.1° | 0.4° |
| C16 | C17 | C19 | H23 | 179.9° | 180.0° |
| N15 | C16 | C17 | C19 | 0.1° | 0.2° |
| C16 | N15 | C14 | C13 | 0.7° | 0.0° |
| C16 | N15 | C14 | H21 | 179.3° | 180.0° |
| C17 | C19 | C13 | H23 | 180.0° | 179.6° |
| C17 | C19 | C13 | C14 | 0.5° | 0.4° |
| C17 | C19 | C13 | C12 | 178.9° | 179.8° |
| C19 | C17 | C16 | H22 | 179.9° | 180.0° |
| N15 | C14 | C13 | C19 | 0.9° | 0.2° |
| N15 | C14 | C13 | H21 | 180.0° | 180.0° |
| N15 | C14 | C13 | C12 | 179.3° | 180.0° |
| C14 | N15 | C16 | H22 | 179.7° | 179.8° |
| C19 | C13 | C14 | C12 | 178.5° | 179.8° |
| C19 | C13 | C12 | O20 | 102.1° | 133.6° |
| C19 | C13 | C14 | H21 | 179.1° | 179.8° |
| C14 | C13 | C12 | O20 | 76.3° | 46.7° |
| C14 | C13 | C19 | H23 | 179.5° | 180.0° |
| C12 | C13 | C14 | H21 | 0.7° | 0.0° |
| C12 | C13 | C19 | H23 | 1.1° | 0.2° |
| H3 | C7 | C8 | H5 | 91.2° | 177.4° |
| H3 | C7 | C8 | H6 | 28.4° | 56.0° |
| H4 | C7 | C8 | H5 | 150.2° | 59.8° |
| H4 | C7 | C8 | H6 | 90.2° | 61.5° |
| H7 | C10 | C11 | H19 | 84.5° | 39.5° |
| H7 | C10 | C11 | H20 | 157.4° | 159.4° |
| H8 | C10 | C11 | H19 | 34.3° | 77.1° |
| H8 | C10 | C11 | H20 | 83.7° | 42.7° |
| H9 | C21 | C11 | H19 | 76.5° | 158.1° |
| H9 | C21 | C11 | H20 | 165.4° | 38.2° |
| H10 | C24 | N23 | H24 | 27.2° | 120.0° |
| H10 | C24 | C25 | H25 | 59.9° | 60.0° |
| H10 | C24 | C25 | H26 | 179.8° | 60.0° |
| H10 | C24 | C25 | H27 | 60.1° | 180.0° |
| H11 | C24 | N23 | H24 | 147.0° | 120.0° |
| H11 | C24 | C25 | H25 | 59.9° | 180.0° |
| H11 | C24 | C25 | H26 | 60.1° | 60.0° |
| H11 | C24 | C25 | H27 | 179.9° | 60.0° |
| H12 | C28 | C27 | H28 | 0.1° | 0.0° |
| H13 | C1 | H14 | H15 | 120.0° | 120.0° |
| H13 | C1 | C2 | H16 | 59.6° | 180.0° |
| H13 | C1 | C2 | H17 | 59.6° | 60.0° |
| H14 | C1 | C2 | H16 | 179.6° | 60.0° |
| H14 | C1 | C2 | H17 | 60.3° | 60.0° |
| H15 | C1 | C2 | H16 | 60.4° | 59.9° |
| H15 | C1 | C2 | H17 | 179.7° | 180.0° |
| H25 | C25 | H26 | H27 | 120.0° | 120.0° |
