I1H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.47Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.48Å | Aromatic |
| C1 | O7 | sing | 1.36Å | 1.41Å | |
| C2 | C3 | sing | 1.38Å | 1.48Å | Aromatic |
| C2 | O8 | sing | 1.36Å | 1.37Å | |
| C3 | C4 | doub | 1.40Å | 1.46Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.40Å | 1.47Å | Aromatic |
| C4 | C23 | sing | 1.48Å | 1.44Å | |
| C5 | C6 | doub | 1.38Å | 1.47Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O7 | C7 | sing | 1.43Å | 1.44Å | |
| O8 | C9 | sing | 1.43Å | 1.42Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | H9C1 | sing | 1.09Å | 1.10Å | |
| C9 | H9C2 | sing | 1.09Å | 1.10Å | |
| C10 | C13 | sing | 1.51Å | 1.49Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C13 | C16 | doub | 1.38Å | 1.47Å | Aromatic |
| C13 | C20 | sing | 1.38Å | 1.45Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.47Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | doub | 1.38Å | 1.47Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | sing | 1.38Å | 1.45Å | Aromatic |
| C18 | CL22 | sing | 1.74Å | 1.69Å | |
| C19 | C20 | doub | 1.38Å | 1.45Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | CL21 | sing | 1.74Å | 1.68Å | |
| C23 | N24 | sing | 1.35Å | 1.36Å | |
| C23 | O52 | doub | 1.22Å | 1.23Å | |
| N24 | C25 | sing | 1.46Å | 1.46Å | |
| N24 | H24 | sing | 0.97Å | 1.00Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | C29 | sing | 1.53Å | 1.52Å | |
| C26 | C33 | sing | 1.53Å | 1.53Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | N31 | sing | 1.47Å | 1.49Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| N31 | C32 | sing | 1.47Å | 1.48Å | |
| N31 | C43 | sing | 1.39Å | 1.40Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C43 | C44 | doub | 1.40Å | 1.47Å | Aromatic |
| C43 | C48 | sing | 1.39Å | 1.47Å | Aromatic |
| C44 | C45 | sing | 1.38Å | 1.45Å | Aromatic |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C45 | N46 | doub | 1.32Å | 1.39Å | Aromatic |
| C45 | H45 | sing | 1.08Å | 1.08Å | |
| N46 | C47 | sing | 1.32Å | 1.39Å | Aromatic |
| C47 | C48 | doub | 1.38Å | 1.44Å | Aromatic |
| C47 | H47 | sing | 1.08Å | 1.08Å | |
| C48 | H48 | sing | 1.08Å | 1.08Å | |
| C7 | H7C1 | sing | 1.09Å | 1.10Å | |
| C7 | H7C2 | sing | 1.09Å | 1.10Å | |
| C7 | H7C3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 117.6° | 120.2° |
| C2 | C1 | O7 | 117.2° | 119.9° |
| C1 | C2 | C3 | 121.1° | 120.0° |
| C1 | C2 | O8 | 115.5° | 120.0° |
| C6 | C1 | O7 | 125.2° | 119.9° |
| C1 | C6 | C5 | 121.7° | 120.1° |
| C1 | C6 | H6 | 119.2° | 119.9° |
| C1 | O7 | C7 | 118.9° | 106.8° |
| C3 | C2 | O8 | 123.4° | 120.0° |
| C2 | C3 | C4 | 120.4° | 119.9° |
| C2 | C3 | H3 | 119.8° | 120.1° |
| C2 | O8 | C9 | 119.3° | 106.8° |
| C4 | C3 | H3 | 119.8° | 120.1° |
| C3 | C4 | C5 | 119.7° | 119.9° |
| C3 | C4 | C23 | 119.0° | 120.1° |
| C5 | C4 | C23 | 121.2° | 120.1° |
| C4 | C5 | C6 | 119.5° | 120.0° |
| C4 | C5 | H5 | 120.3° | 120.0° |
| C4 | C23 | N24 | 115.0° | 120.0° |
| C4 | C23 | O52 | 121.6° | 120.0° |
| C6 | C5 | H5 | 120.2° | 119.9° |
| C5 | C6 | H6 | 119.1° | 120.0° |
| O7 | C7 | H7C1 | 109.5° | 109.4° |
| O7 | C7 | H7C2 | 109.4° | 109.5° |
| O7 | C7 | H7C3 | 109.5° | 109.5° |
| O8 | C9 | C10 | 100.3° | 109.5° |
| O8 | C9 | H9C1 | 114.5° | 109.5° |
| O8 | C9 | H9C2 | 112.7° | 109.4° |
| C10 | C9 | H9C1 | 114.5° | 109.5° |
| C10 | C9 | H9C2 | 112.6° | 109.5° |
| C9 | C10 | C13 | 113.2° | 109.5° |
| C9 | C10 | H101 | 107.4° | 109.4° |
| C9 | C10 | H102 | 108.3° | 109.5° |
| H9C1 | C9 | H9C2 | 102.6° | 109.4° |
| C13 | C10 | H101 | 107.4° | 109.5° |
| C13 | C10 | H102 | 108.2° | 109.5° |
| C10 | C13 | C16 | 120.5° | 120.0° |
| C10 | C13 | C20 | 121.5° | 119.9° |
| H101 | C10 | H102 | 112.4° | 109.5° |
| C16 | C13 | C20 | 117.9° | 120.0° |
| C13 | C16 | C17 | 121.3° | 120.0° |
| C13 | C16 | H16 | 119.4° | 120.0° |
| C13 | C20 | C19 | 121.7° | 119.9° |
| C13 | C20 | CL21 | 121.6° | 120.0° |
| C17 | C16 | H16 | 119.4° | 119.9° |
| C16 | C17 | C18 | 119.2° | 120.0° |
| C16 | C17 | H17 | 120.4° | 120.0° |
| C18 | C17 | H17 | 120.4° | 120.0° |
| C17 | C18 | C19 | 119.7° | 120.0° |
| C17 | C18 | CL22 | 121.8° | 120.0° |
| C19 | C18 | CL22 | 118.5° | 120.0° |
| C18 | C19 | C20 | 120.1° | 120.0° |
| C18 | C19 | H19 | 120.0° | 120.0° |
| C20 | C19 | H19 | 119.9° | 120.0° |
| C19 | C20 | CL21 | 116.7° | 120.0° |
| N24 | C23 | O52 | 123.5° | 120.0° |
| C23 | N24 | C25 | 112.3° | 120.0° |
| C23 | N24 | H24 | 123.8° | 119.9° |
| C25 | N24 | H24 | 123.9° | 120.1° |
| N24 | C25 | C26 | 110.9° | 109.5° |
| N24 | C25 | H251 | 108.7° | 109.5° |
| N24 | C25 | H252 | 109.0° | 109.5° |
| C26 | C25 | H251 | 108.7° | 109.4° |
| C26 | C25 | H252 | 109.0° | 109.5° |
| C25 | C26 | C29 | 110.6° | 109.6° |
| C25 | C26 | C33 | 110.4° | 109.6° |
| C25 | C26 | H26 | 107.4° | 109.6° |
| H251 | C25 | H252 | 110.6° | 109.4° |
| C29 | C26 | C33 | 107.0° | 109.0° |
| C29 | C26 | H26 | 110.6° | 109.5° |
| C26 | C29 | C30 | 113.6° | 109.2° |
| C26 | C29 | H291 | 107.2° | 109.5° |
| C26 | C29 | H292 | 108.1° | 109.5° |
| C33 | C26 | H26 | 110.9° | 109.6° |
| C26 | C33 | C32 | 112.8° | 109.2° |
| C26 | C33 | H331 | 107.6° | 109.5° |
| C26 | C33 | H332 | 108.4° | 109.6° |
| C30 | C29 | H291 | 107.2° | 109.5° |
| C30 | C29 | H292 | 108.1° | 109.5° |
| C29 | C30 | N31 | 109.2° | 109.8° |
| C29 | C30 | H301 | 109.6° | 109.4° |
| C29 | C30 | H302 | 109.5° | 109.4° |
| H291 | C29 | H292 | 112.7° | 109.6° |
| N31 | C30 | H301 | 109.6° | 109.4° |
| N31 | C30 | H302 | 109.6° | 109.5° |
| C30 | N31 | C32 | 113.4° | 107.3° |
| C30 | N31 | C43 | 124.4° | 106.7° |
| H301 | C30 | H302 | 109.3° | 109.3° |
| C32 | N31 | C43 | 121.9° | 106.7° |
| N31 | C32 | C33 | 107.7° | 109.8° |
| N31 | C32 | H321 | 110.4° | 109.4° |
| N31 | C32 | H322 | 110.1° | 109.4° |
| N31 | C43 | C44 | 120.7° | 120.9° |
| N31 | C43 | C48 | 119.5° | 120.9° |
| C33 | C32 | H321 | 110.4° | 109.4° |
| C33 | C32 | H322 | 110.1° | 109.4° |
| C32 | C33 | H331 | 107.6° | 109.5° |
| C32 | C33 | H332 | 108.4° | 109.6° |
| H321 | C32 | H322 | 108.1° | 109.3° |
| H331 | C33 | H332 | 112.1° | 109.5° |
| C44 | C43 | C48 | 119.7° | 118.2° |
| C43 | C44 | C45 | 118.8° | 119.1° |
| C43 | C44 | H44 | 120.6° | 120.4° |
| C43 | C48 | C47 | 119.3° | 119.1° |
| C43 | C48 | H48 | 120.4° | 120.5° |
| C45 | C44 | H44 | 120.6° | 120.5° |
| C44 | C45 | N46 | 117.8° | 120.8° |
| C44 | C45 | H45 | 121.1° | 119.6° |
| N46 | C45 | H45 | 121.1° | 119.6° |
| C45 | N46 | C47 | 126.6° | 121.9° |
| N46 | C47 | C48 | 117.7° | 120.9° |
| N46 | C47 | H47 | 121.1° | 119.5° |
| C48 | C47 | H47 | 121.1° | 119.6° |
| C47 | C48 | H48 | 120.3° | 120.5° |
| H7C1 | C7 | H7C2 | 109.5° | 109.5° |
| H7C1 | C7 | H7C3 | 109.5° | 109.5° |
| H7C2 | C7 | H7C3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O7 | 179.8° | 179.7° |
| C1 | C2 | C3 | O8 | 179.5° | 179.5° |
| C1 | C2 | C3 | C4 | 1.7° | 0.5° |
| C1 | C2 | C3 | H3 | 178.2° | 179.7° |
| C2 | C1 | C6 | C5 | 1.2° | 0.3° |
| C2 | C1 | C6 | H6 | 178.8° | 179.8° |
| C2 | C1 | O7 | C7 | 150.9° | 179.7° |
| C1 | C2 | O8 | C9 | 144.1° | 179.5° |
| C6 | C1 | C2 | C3 | 2.7° | 0.5° |
| C6 | C1 | C2 | O8 | 177.8° | 180.0° |
| C1 | C6 | C5 | C4 | 1.3° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | H5 | 178.7° | 180.0° |
| C6 | C1 | O7 | C7 | 29.3° | 0.0° |
| O7 | C1 | C2 | C3 | 177.4° | 179.7° |
| O7 | C1 | C2 | O8 | 2.1° | 0.2° |
| O7 | C1 | C6 | C5 | 179.0° | 179.9° |
| O7 | C1 | C6 | H6 | 1.0° | 0.0° |
| C1 | O7 | C7 | H7C1 | 17.1° | 60.0° |
| C1 | O7 | C7 | H7C2 | 102.9° | 60.0° |
| C1 | O7 | C7 | H7C3 | 137.1° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.8° |
| C2 | C3 | C4 | C5 | 0.8° | 0.3° |
| C2 | C3 | C4 | C23 | 175.1° | 179.8° |
| C3 | C2 | O8 | C9 | 36.4° | 0.0° |
| O8 | C2 | C3 | C4 | 178.8° | 180.0° |
| O8 | C2 | C3 | H3 | 1.3° | 0.2° |
| C2 | O8 | C9 | C10 | 165.9° | 180.0° |
| C2 | O8 | C9 | H9C1 | 70.9° | 59.9° |
| C2 | O8 | C9 | H9C2 | 45.9° | 60.0° |
| C3 | C4 | C5 | C23 | 175.9° | 179.9° |
| C3 | C4 | C5 | C6 | 2.3° | 0.1° |
| C3 | C4 | C5 | H5 | 177.7° | 180.0° |
| C3 | C4 | C23 | N24 | 37.4° | 180.0° |
| C3 | C4 | C23 | O52 | 142.2° | 0.0° |
| H3 | C3 | C4 | C5 | 179.2° | 179.9° |
| H3 | C3 | C4 | C23 | 4.8° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 178.7° | 180.0° |
| C5 | C4 | C23 | N24 | 146.7° | 0.0° |
| C5 | C4 | C23 | O52 | 33.7° | 180.0° |
| C23 | C4 | C5 | C6 | 173.6° | 180.0° |
| C23 | C4 | C5 | H5 | 6.4° | 0.0° |
| C4 | C23 | N24 | O52 | 179.6° | 180.0° |
| C4 | C23 | N24 | C25 | 173.5° | 180.0° |
| C4 | C23 | N24 | H24 | 6.5° | 0.1° |
| H5 | C5 | C6 | H6 | 1.3° | 0.0° |
| O7 | C7 | H7C1 | H7C2 | 120.0° | 120.0° |
| O7 | C7 | H7C1 | H7C3 | 120.0° | 120.0° |
| O7 | C7 | H7C2 | H7C3 | 120.0° | 120.0° |
| O8 | C9 | C10 | H9C1 | 123.2° | 120.0° |
| O8 | C9 | C10 | H9C2 | 120.0° | 120.0° |
| O8 | C9 | H9C1 | H9C2 | 122.4° | 119.9° |
| O8 | C9 | C10 | C13 | 179.7° | 179.9° |
| O8 | C9 | C10 | H101 | 61.9° | 60.0° |
| O8 | C9 | C10 | H102 | 59.7° | 60.0° |
| C10 | C9 | H9C1 | H9C2 | 122.4° | 120.0° |
| C9 | C10 | C13 | H101 | 118.4° | 119.9° |
| C9 | C10 | C13 | H102 | 120.0° | 120.0° |
| C9 | C10 | H101 | H102 | 119.0° | 120.0° |
| C9 | C10 | C13 | C16 | 97.0° | 100.0° |
| C9 | C10 | C13 | C20 | 86.9° | 80.3° |
| H9C1 | C9 | C10 | C13 | 56.5° | 60.0° |
| H9C1 | C9 | C10 | H101 | 174.9° | 180.0° |
| H9C1 | C9 | C10 | H102 | 63.5° | 60.1° |
| H9C2 | C9 | C10 | C13 | 60.3° | 60.0° |
| H9C2 | C9 | C10 | H101 | 58.1° | 60.0° |
| H9C2 | C9 | C10 | H102 | 179.7° | 180.0° |
| C13 | C10 | H101 | H102 | 119.0° | 120.1° |
| C10 | C13 | C16 | C20 | 176.2° | 179.7° |
| C10 | C13 | C16 | C17 | 174.7° | 180.0° |
| C10 | C13 | C16 | H16 | 5.3° | 0.0° |
| C10 | C13 | C20 | C19 | 176.5° | 179.7° |
| C10 | C13 | C20 | CL21 | 1.1° | 0.3° |
| H101 | C10 | C13 | C16 | 21.4° | 20.0° |
| H101 | C10 | C13 | C20 | 154.7° | 159.8° |
| H102 | C10 | C13 | C16 | 143.0° | 140.0° |
| H102 | C10 | C13 | C20 | 33.1° | 39.7° |
| C13 | C16 | C17 | H16 | 180.0° | 179.9° |
| C13 | C16 | C17 | C18 | 2.1° | 0.0° |
| C13 | C16 | C17 | H17 | 177.9° | 180.0° |
| C16 | C13 | C20 | C19 | 0.3° | 0.6° |
| C16 | C13 | C20 | CL21 | 177.3° | 180.0° |
| C20 | C13 | C16 | C17 | 1.5° | 0.3° |
| C20 | C13 | C16 | H16 | 178.5° | 179.7° |
| C13 | C20 | C19 | C18 | 1.6° | 0.6° |
| C13 | C20 | C19 | CL21 | 177.7° | 179.4° |
| C13 | C20 | C19 | H19 | 178.4° | 179.7° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.7° | 0.0° |
| C16 | C17 | C18 | CL22 | 179.8° | 180.0° |
| H16 | C16 | C17 | C18 | 177.9° | 180.0° |
| H16 | C16 | C17 | H17 | 2.1° | 0.1° |
| C17 | C18 | C19 | CL22 | 179.1° | 180.0° |
| C17 | C18 | C19 | C20 | 1.0° | 0.3° |
| C17 | C18 | C19 | H19 | 179.0° | 180.0° |
| H17 | C17 | C18 | C19 | 179.3° | 180.0° |
| H17 | C17 | C18 | CL22 | 0.2° | 0.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.8° |
| C18 | C19 | C20 | CL21 | 176.1° | 180.0° |
| CL22 | C18 | C19 | C20 | 178.1° | 179.7° |
| CL22 | C18 | C19 | H19 | 1.9° | 0.1° |
| H19 | C19 | C20 | CL21 | 3.9° | 0.2° |
| C23 | N24 | C25 | H24 | 180.0° | 179.9° |
| C23 | N24 | C25 | C26 | 112.7° | 180.0° |
| C23 | N24 | C25 | H251 | 6.7° | 60.0° |
| C23 | N24 | C25 | H252 | 127.3° | 60.0° |
| O52 | C23 | N24 | C25 | 6.1° | 0.0° |
| O52 | C23 | N24 | H24 | 173.9° | 179.9° |
| N24 | C25 | C26 | H251 | 119.4° | 120.0° |
| N24 | C25 | C26 | H252 | 120.0° | 120.0° |
| N24 | C25 | H251 | H252 | 119.6° | 120.0° |
| N24 | C25 | C26 | C29 | 71.9° | 175.0° |
| N24 | C25 | C26 | C33 | 169.8° | 65.5° |
| N24 | C25 | C26 | H26 | 48.8° | 54.8° |
| H24 | N24 | C25 | C26 | 67.3° | 0.1° |
| H24 | N24 | C25 | H251 | 173.3° | 120.1° |
| H24 | N24 | C25 | H252 | 52.7° | 120.0° |
| C26 | C25 | H251 | H252 | 119.6° | 119.9° |
| C25 | C26 | C29 | C33 | 120.3° | 119.9° |
| C25 | C26 | C29 | H26 | 118.8° | 120.2° |
| C25 | C26 | C33 | H26 | 118.8° | 120.3° |
| C25 | C26 | C29 | C30 | 174.7° | 175.4° |
| C25 | C26 | C29 | H291 | 56.5° | 64.6° |
| C25 | C26 | C29 | H292 | 65.3° | 55.5° |
| C25 | C26 | C33 | C32 | 177.8° | 175.4° |
| C25 | C26 | C33 | H331 | 63.6° | 55.6° |
| C25 | C26 | C33 | H332 | 57.8° | 64.6° |
| H251 | C25 | C26 | C29 | 168.6° | 54.9° |
| H251 | C25 | C26 | C33 | 50.4° | 174.4° |
| H251 | C25 | C26 | H26 | 70.6° | 65.3° |
| H252 | C25 | C26 | C29 | 48.0° | 65.0° |
| H252 | C25 | C26 | C33 | 70.2° | 54.5° |
| H252 | C25 | C26 | H26 | 168.8° | 174.8° |
| C29 | C26 | C33 | H26 | 120.8° | 119.8° |
| C26 | C29 | C30 | H291 | 118.2° | 120.0° |
| C26 | C29 | C30 | H292 | 120.0° | 119.9° |
| C26 | C29 | H291 | H292 | 118.9° | 120.1° |
| C26 | C29 | C30 | N31 | 54.6° | 61.3° |
| C26 | C29 | C30 | H301 | 174.7° | 58.7° |
| C26 | C29 | C30 | H302 | 65.4° | 178.5° |
| C29 | C26 | C33 | C32 | 57.4° | 55.5° |
| C29 | C26 | C33 | H331 | 176.0° | 64.3° |
| C29 | C26 | C33 | H332 | 62.6° | 175.5° |
| C33 | C26 | C29 | C30 | 54.5° | 55.5° |
| C33 | C26 | C29 | H291 | 63.7° | 175.5° |
| C33 | C26 | C29 | H292 | 174.5° | 64.3° |
| C26 | C33 | C32 | N31 | 60.0° | 61.4° |
| C26 | C33 | C32 | H331 | 118.6° | 119.9° |
| C26 | C33 | C32 | H332 | 120.0° | 120.0° |
| C26 | C33 | C32 | H321 | 179.4° | 58.8° |
| C26 | C33 | C32 | H322 | 60.1° | 178.5° |
| C26 | C33 | H331 | H332 | 119.1° | 120.2° |
| H26 | C26 | C29 | C30 | 66.5° | 64.4° |
| H26 | C26 | C29 | H291 | 175.4° | 55.6° |
| H26 | C26 | C29 | H292 | 53.5° | 175.8° |
| H26 | C26 | C33 | C32 | 63.3° | 64.3° |
| H26 | C26 | C33 | H331 | 55.2° | 175.8° |
| H26 | C26 | C33 | H332 | 176.7° | 55.7° |
| C30 | C29 | H291 | H292 | 118.8° | 120.1° |
| C29 | C30 | N31 | H301 | 120.1° | 120.1° |
| C29 | C30 | N31 | H302 | 120.0° | 120.1° |
| C29 | C30 | H301 | H302 | 120.1° | 119.8° |
| C29 | C30 | N31 | C32 | 56.8° | 65.6° |
| C29 | C30 | N31 | C43 | 117.4° | 179.7° |
| H291 | C29 | C30 | N31 | 63.6° | 178.7° |
| H291 | C29 | C30 | H301 | 56.5° | 61.2° |
| H291 | C29 | C30 | H302 | 176.4° | 58.5° |
| H292 | C29 | C30 | N31 | 174.6° | 58.5° |
| H292 | C29 | C30 | H301 | 65.3° | 178.6° |
| H292 | C29 | C30 | H302 | 54.6° | 61.6° |
| N31 | C30 | H301 | H302 | 120.1° | 119.9° |
| C30 | N31 | C32 | C43 | 174.3° | 114.1° |
| C30 | N31 | C32 | C33 | 59.2° | 65.6° |
| C30 | N31 | C32 | H321 | 179.9° | 54.5° |
| C30 | N31 | C32 | H322 | 60.8° | 174.3° |
| C30 | N31 | C43 | C44 | 9.6° | 180.0° |
| C30 | N31 | C43 | C48 | 167.2° | 0.3° |
| H301 | C30 | N31 | C32 | 176.9° | 54.5° |
| H301 | C30 | N31 | C43 | 2.7° | 59.6° |
| H302 | C30 | N31 | C32 | 63.2° | 174.3° |
| H302 | C30 | N31 | C43 | 122.7° | 60.2° |
| N31 | C32 | C33 | H321 | 120.7° | 120.1° |
| N31 | C32 | C33 | H322 | 120.0° | 120.1° |
| N31 | C32 | H321 | H322 | 120.5° | 119.8° |
| N31 | C32 | C33 | H331 | 178.5° | 58.5° |
| N31 | C32 | C33 | H332 | 60.0° | 178.6° |
| C32 | N31 | C43 | C44 | 176.7° | 65.5° |
| C32 | N31 | C43 | C48 | 6.5° | 114.2° |
| C43 | N31 | C32 | C33 | 115.1° | 179.7° |
| C43 | N31 | C32 | H321 | 5.6° | 59.6° |
| C43 | N31 | C32 | H322 | 124.9° | 60.2° |
| N31 | C43 | C44 | C48 | 176.8° | 179.7° |
| N31 | C43 | C44 | C45 | 174.9° | 180.0° |
| N31 | C43 | C44 | H44 | 5.1° | 0.0° |
| N31 | C43 | C48 | C47 | 175.0° | 179.8° |
| N31 | C43 | C48 | H48 | 4.9° | 0.2° |
| C33 | C32 | H321 | H322 | 120.5° | 119.8° |
| C32 | C33 | H331 | H332 | 119.1° | 120.1° |
| H321 | C32 | C33 | H331 | 60.8° | 178.6° |
| H321 | C32 | C33 | H332 | 60.7° | 61.2° |
| H322 | C32 | C33 | H331 | 58.5° | 61.6° |
| H322 | C32 | C33 | H332 | 179.9° | 58.5° |
| C43 | C44 | C45 | H44 | 180.0° | 180.0° |
| C43 | C44 | C45 | N46 | 0.5° | 0.0° |
| C43 | C44 | C45 | H45 | 179.5° | 180.0° |
| C44 | C43 | C48 | C47 | 1.8° | 0.5° |
| C44 | C43 | C48 | H48 | 178.2° | 180.0° |
| C48 | C43 | C44 | C45 | 1.9° | 0.3° |
| C48 | C43 | C44 | H44 | 178.1° | 179.8° |
| C43 | C48 | C47 | N46 | 0.4° | 0.5° |
| C43 | C48 | C47 | H48 | 180.0° | 179.5° |
| C43 | C48 | C47 | H47 | 179.6° | 179.7° |
| C44 | C45 | N46 | H45 | 180.0° | 179.9° |
| C44 | C45 | N46 | C47 | 1.0° | 0.1° |
| H44 | C44 | C45 | N46 | 179.4° | 179.9° |
| H44 | C44 | C45 | H45 | 0.5° | 0.0° |
| C45 | N46 | C47 | C48 | 1.1° | 0.2° |
| C45 | N46 | C47 | H47 | 179.0° | 180.0° |
| H45 | C45 | N46 | C47 | 179.0° | 180.0° |
| N46 | C47 | C48 | H47 | 180.0° | 179.8° |
| N46 | C47 | C48 | H48 | 179.6° | 180.0° |
| H47 | C47 | C48 | H48 | 0.4° | 0.2° |
| H7C1 | C7 | H7C2 | H7C3 | 120.0° | 120.0° |
