J8I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| O3 | C14 | doub | 1.21Å | 1.25Å | |
| C15 | C14 | sing | 1.51Å | 1.49Å | |
| C14 | N3 | sing | 1.35Å | 1.38Å | |
| N3 | C11 | sing | 1.46Å | 1.49Å | |
| N3 | C17 | sing | 1.40Å | 1.42Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.47Å | |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | N2 | sing | 1.47Å | 1.42Å | |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | N2 | sing | 1.47Å | 1.45Å | |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| N2 | C8 | sing | 1.47Å | 1.46Å | |
| C8 | C7 | sing | 1.53Å | 1.48Å | |
| C7 | C4 | sing | 1.51Å | 1.50Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | S1 | sing | 1.76Å | 1.76Å | |
| O2 | S1 | doub | 1.42Å | 1.43Å | |
| S1 | O1 | doub | 1.42Å | 1.45Å | |
| S1 | N1 | sing | 1.66Å | 1.56Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C10 | H94 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H95 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H93 | sing | 1.09Å | 1.10Å | |
| C15 | H96 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H97 | sing | 1.09Å | 1.10Å | |
| C16 | H98 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H14 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C14 | 111.7° | 109.5° |
| C16 | C15 | H96 | 108.9° | 109.5° |
| C16 | C15 | H15 | 108.9° | 109.5° |
| C15 | C16 | H16 | 109.5° | 109.5° |
| C15 | C16 | H97 | 109.5° | 109.5° |
| C15 | C16 | H98 | 109.4° | 109.4° |
| O3 | C14 | C15 | 118.9° | 120.0° |
| O3 | C14 | N3 | 120.9° | 120.0° |
| C15 | C14 | N3 | 120.2° | 120.0° |
| C14 | C15 | H96 | 108.9° | 109.5° |
| C14 | C15 | H15 | 108.9° | 109.4° |
| C14 | N3 | C11 | 119.5° | 120.0° |
| C14 | N3 | C17 | 120.0° | 120.0° |
| C11 | N3 | C17 | 120.5° | 120.0° |
| N3 | C11 | C10 | 117.1° | 109.5° |
| N3 | C11 | C12 | 117.9° | 109.5° |
| N3 | C11 | H11 | 100.6° | 109.6° |
| N3 | C17 | C18 | 119.3° | 120.1° |
| N3 | C17 | C22 | 119.9° | 120.1° |
| C10 | C11 | C12 | 115.2° | 109.1° |
| C11 | C10 | C9 | 115.0° | 109.3° |
| C11 | C10 | H94 | 108.1° | 109.5° |
| C11 | C10 | H10 | 108.1° | 109.6° |
| C10 | C11 | H11 | 100.3° | 109.5° |
| C11 | C12 | C13 | 108.9° | 109.3° |
| C12 | C11 | H11 | 100.7° | 109.5° |
| C11 | C12 | H12 | 109.6° | 109.5° |
| C11 | C12 | H95 | 109.6° | 109.5° |
| C10 | C9 | N2 | 108.0° | 109.5° |
| C9 | C10 | H94 | 108.1° | 109.5° |
| C9 | C10 | H10 | 108.1° | 109.5° |
| C10 | C9 | H92 | 109.8° | 109.5° |
| C10 | C9 | H91 | 109.8° | 109.5° |
| C18 | C17 | C22 | 120.7° | 119.8° |
| C17 | C18 | C19 | 118.8° | 120.0° |
| C17 | C18 | H18 | 120.6° | 120.0° |
| C17 | C22 | C21 | 119.8° | 120.0° |
| C17 | C22 | H22 | 120.1° | 120.0° |
| C18 | C19 | C20 | 120.0° | 120.0° |
| C19 | C18 | H18 | 120.6° | 120.0° |
| C18 | C19 | H19 | 120.0° | 120.0° |
| C9 | N2 | C13 | 111.3° | 111.2° |
| C9 | N2 | C8 | 116.2° | 111.0° |
| N2 | C9 | H92 | 109.9° | 109.4° |
| N2 | C9 | H91 | 109.9° | 109.5° |
| C22 | C21 | C20 | 119.0° | 120.0° |
| C22 | C21 | H21 | 120.5° | 119.9° |
| C21 | C22 | H22 | 120.1° | 120.0° |
| C12 | C13 | N2 | 111.4° | 109.5° |
| C13 | C12 | H12 | 109.6° | 109.5° |
| C13 | C12 | H95 | 109.6° | 109.5° |
| C12 | C13 | H13 | 109.0° | 109.5° |
| C12 | C13 | H93 | 109.0° | 109.5° |
| C19 | C20 | C21 | 121.6° | 120.2° |
| C20 | C19 | H19 | 120.0° | 119.9° |
| C19 | C20 | H20 | 119.2° | 119.9° |
| C13 | N2 | C8 | 112.5° | 111.0° |
| N2 | C13 | H13 | 109.0° | 109.4° |
| N2 | C13 | H93 | 109.0° | 109.5° |
| C21 | C20 | H20 | 119.2° | 119.9° |
| C20 | C21 | H21 | 120.5° | 120.0° |
| N2 | C8 | C7 | 118.8° | 109.5° |
| N2 | C8 | H82 | 107.1° | 109.5° |
| N2 | C8 | H81 | 107.1° | 109.5° |
| C8 | C7 | C4 | 109.7° | 109.5° |
| C7 | C8 | H82 | 107.1° | 109.4° |
| C7 | C8 | H81 | 107.1° | 109.5° |
| C8 | C7 | H72 | 109.4° | 109.5° |
| C8 | C7 | H71 | 109.4° | 109.6° |
| C7 | C4 | C3 | 121.7° | 120.0° |
| C7 | C4 | C5 | 119.5° | 120.0° |
| C4 | C7 | H72 | 109.4° | 109.4° |
| C4 | C7 | H71 | 109.4° | 109.5° |
| C4 | C3 | C2 | 122.0° | 120.0° |
| C3 | C4 | C5 | 118.8° | 120.0° |
| C4 | C3 | H3 | 119.0° | 120.0° |
| C3 | C2 | C1 | 119.4° | 120.1° |
| C3 | C2 | H2 | 120.3° | 120.0° |
| C2 | C3 | H3 | 119.0° | 120.0° |
| C4 | C5 | C6 | 119.5° | 120.0° |
| C4 | C5 | H5 | 120.3° | 120.0° |
| C2 | C1 | C6 | 118.5° | 120.0° |
| C2 | C1 | S1 | 120.8° | 120.0° |
| C1 | C2 | H2 | 120.3° | 120.0° |
| C5 | C6 | C1 | 121.7° | 120.0° |
| C5 | C6 | H6 | 119.1° | 120.0° |
| C6 | C5 | H5 | 120.3° | 120.0° |
| C6 | C1 | S1 | 120.7° | 120.0° |
| C1 | C6 | H6 | 119.1° | 120.0° |
| C1 | S1 | O2 | 105.2° | 106.4° |
| C1 | S1 | O1 | 105.4° | 106.4° |
| C1 | S1 | N1 | 107.8° | 107.2° |
| O2 | S1 | O1 | 117.8° | 123.2° |
| O2 | S1 | N1 | 109.9° | 106.4° |
| O1 | S1 | N1 | 110.2° | 106.4° |
| S1 | N1 | H1 | 109.5° | 120.0° |
| S1 | N1 | H14 | 109.5° | 120.0° |
| H82 | C8 | H81 | 109.5° | 109.5° |
| H94 | C10 | H10 | 109.5° | 109.5° |
| H12 | C12 | H95 | 109.5° | 109.5° |
| H13 | C13 | H93 | 109.5° | 109.5° |
| H96 | C15 | H15 | 109.5° | 109.5° |
| H16 | C16 | H97 | 109.5° | 109.5° |
| H16 | C16 | H98 | 109.5° | 109.5° |
| H97 | C16 | H98 | 109.5° | 109.5° |
| H1 | N1 | H14 | 109.4° | 120.0° |
| H72 | C7 | H71 | 109.4° | 109.4° |
| H92 | C9 | H91 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C14 | O3 | 0.9° | 2.1° |
| C16 | C15 | C14 | H96 | 120.3° | 120.0° |
| C16 | C15 | C14 | H15 | 120.3° | 119.9° |
| C16 | C15 | C14 | N3 | 177.5° | 177.8° |
| C16 | C15 | H96 | H15 | 119.0° | 120.0° |
| C15 | C16 | H16 | H97 | 120.0° | 120.0° |
| C15 | C16 | H16 | H98 | 120.0° | 120.0° |
| C15 | C16 | H97 | H98 | 120.0° | 120.0° |
| O3 | C14 | C15 | N3 | 178.4° | 179.9° |
| O3 | C14 | N3 | C11 | 3.0° | 4.3° |
| O3 | C14 | N3 | C17 | 175.3° | 175.7° |
| O3 | C14 | C15 | H96 | 119.4° | 122.1° |
| O3 | C14 | C15 | H15 | 121.2° | 117.9° |
| C15 | C14 | N3 | C11 | 178.6° | 175.7° |
| C15 | C14 | N3 | C17 | 3.1° | 4.2° |
| C14 | C15 | H96 | H15 | 119.0° | 120.0° |
| C14 | C15 | C16 | H16 | 180.0° | 60.0° |
| C14 | C15 | C16 | H97 | 60.0° | 60.0° |
| C14 | C15 | C16 | H98 | 60.0° | 180.0° |
| C14 | N3 | C11 | C17 | 178.3° | 180.0° |
| C14 | N3 | C11 | C10 | 81.0° | 62.3° |
| C14 | N3 | C11 | C12 | 134.6° | 57.4° |
| C14 | N3 | C17 | C18 | 74.1° | 112.1° |
| C14 | N3 | C17 | C22 | 106.1° | 68.1° |
| C14 | N3 | C11 | H11 | 26.4° | 177.5° |
| N3 | C14 | C15 | H96 | 62.2° | 57.8° |
| N3 | C14 | C15 | H15 | 57.1° | 62.2° |
| N3 | C11 | C10 | C12 | 145.3° | 119.9° |
| N3 | C11 | C10 | H11 | 107.6° | 120.3° |
| N3 | C11 | C12 | H11 | 108.2° | 120.3° |
| N3 | C11 | C10 | C9 | 173.7° | 177.5° |
| C11 | N3 | C17 | C18 | 107.6° | 67.9° |
| C11 | N3 | C17 | C22 | 72.1° | 111.9° |
| N3 | C11 | C12 | C13 | 172.9° | 177.6° |
| N3 | C11 | C10 | H94 | 52.9° | 62.5° |
| N3 | C11 | C10 | H10 | 65.4° | 57.6° |
| N3 | C11 | C12 | H12 | 67.2° | 57.6° |
| N3 | C11 | C12 | H95 | 52.9° | 62.5° |
| C17 | N3 | C11 | C10 | 100.7° | 117.8° |
| C17 | N3 | C11 | C12 | 43.7° | 122.6° |
| N3 | C17 | C18 | C22 | 179.8° | 179.8° |
| N3 | C17 | C18 | C19 | 178.7° | 179.7° |
| N3 | C17 | C22 | C21 | 177.3° | 179.7° |
| C17 | N3 | C11 | H11 | 151.9° | 2.4° |
| N3 | C17 | C18 | H18 | 1.3° | 0.2° |
| N3 | C17 | C22 | H22 | 2.7° | 0.2° |
| C10 | C11 | C12 | H11 | 106.8° | 119.9° |
| C11 | C10 | C9 | H94 | 120.8° | 119.9° |
| C11 | C10 | C9 | H10 | 120.8° | 120.0° |
| C11 | C10 | C9 | N2 | 48.3° | 59.2° |
| C10 | C11 | C12 | C13 | 42.1° | 57.7° |
| C11 | C10 | H94 | H10 | 117.5° | 120.2° |
| C10 | C11 | C12 | H12 | 77.8° | 62.3° |
| C10 | C11 | C12 | H95 | 162.0° | 177.6° |
| C11 | C10 | C9 | H92 | 71.4° | 60.8° |
| C11 | C10 | C9 | H91 | 168.1° | 179.2° |
| C12 | C11 | C10 | C9 | 40.9° | 57.7° |
| C11 | C12 | C13 | H12 | 119.9° | 120.0° |
| C11 | C12 | C13 | H95 | 119.9° | 119.9° |
| C11 | C12 | C13 | N2 | 55.2° | 59.2° |
| C12 | C11 | C10 | H94 | 161.7° | 177.6° |
| C12 | C11 | C10 | H10 | 79.9° | 62.3° |
| C11 | C12 | H12 | H95 | 120.3° | 120.1° |
| C11 | C12 | C13 | H13 | 175.5° | 179.2° |
| C11 | C12 | C13 | H93 | 65.1° | 60.8° |
| C10 | C9 | N2 | H92 | 119.7° | 120.0° |
| C10 | C9 | N2 | H91 | 119.8° | 120.1° |
| C10 | C9 | N2 | C13 | 62.0° | 61.7° |
| C10 | C9 | N2 | C8 | 167.6° | 174.2° |
| C9 | C10 | H94 | H10 | 117.5° | 120.0° |
| C9 | C10 | C11 | H11 | 66.1° | 62.2° |
| C10 | C9 | H92 | H91 | 120.7° | 120.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C18 | C17 | C22 | C21 | 2.5° | 0.1° |
| C17 | C18 | C19 | C20 | 0.0° | 0.0° |
| C17 | C18 | C19 | H19 | 179.9° | 179.9° |
| C18 | C17 | C22 | H22 | 177.5° | 180.0° |
| C22 | C17 | C18 | C19 | 1.1° | 0.1° |
| C17 | C22 | C21 | H22 | 180.0° | 179.9° |
| C17 | C22 | C21 | C20 | 2.8° | 0.1° |
| C22 | C17 | C18 | H18 | 178.9° | 180.0° |
| C17 | C22 | C21 | H21 | 177.2° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.3° | 0.0° |
| C18 | C19 | C20 | H20 | 179.8° | 180.0° |
| C9 | N2 | C13 | C12 | 68.4° | 61.7° |
| C9 | N2 | C13 | C8 | 132.3° | 124.1° |
| C9 | N2 | C8 | C7 | 47.6° | 65.8° |
| C9 | N2 | C8 | H82 | 169.0° | 54.2° |
| C9 | N2 | C8 | H81 | 73.7° | 174.2° |
| N2 | C9 | C10 | H94 | 169.1° | 179.1° |
| N2 | C9 | C10 | H10 | 72.5° | 60.8° |
| C9 | N2 | C13 | H13 | 171.3° | 178.3° |
| C9 | N2 | C13 | H93 | 51.9° | 58.3° |
| N2 | C9 | H92 | H91 | 120.7° | 119.9° |
| C22 | C21 | C20 | C19 | 1.7° | 0.0° |
| C22 | C21 | C20 | H21 | 180.0° | 180.0° |
| C22 | C21 | C20 | H20 | 178.3° | 180.0° |
| C12 | C13 | N2 | H13 | 120.3° | 120.0° |
| C12 | C13 | N2 | H93 | 120.3° | 120.0° |
| C12 | C13 | N2 | C8 | 159.3° | 174.2° |
| C13 | C12 | C11 | H11 | 64.7° | 62.2° |
| C13 | C12 | H12 | H95 | 120.3° | 120.1° |
| C12 | C13 | H13 | H93 | 119.1° | 120.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C20 | C19 | C18 | H18 | 179.9° | 180.0° |
| C19 | C20 | C21 | H21 | 178.3° | 180.0° |
| C13 | N2 | C8 | C7 | 177.5° | 170.0° |
| C13 | N2 | C8 | H82 | 61.2° | 70.0° |
| C13 | N2 | C8 | H81 | 56.2° | 50.0° |
| N2 | C13 | C12 | H12 | 64.7° | 60.8° |
| N2 | C13 | C12 | H95 | 175.1° | 179.1° |
| N2 | C13 | H13 | H93 | 119.1° | 120.0° |
| C13 | N2 | C9 | H92 | 57.8° | 58.3° |
| C13 | N2 | C9 | H91 | 178.3° | 178.2° |
| C21 | C20 | C19 | H19 | 179.8° | 179.9° |
| C20 | C21 | C22 | H22 | 177.3° | 180.0° |
| N2 | C8 | C7 | H82 | 121.4° | 120.0° |
| N2 | C8 | C7 | H81 | 121.3° | 120.1° |
| N2 | C8 | C7 | C4 | 157.3° | 180.0° |
| N2 | C8 | H82 | H81 | 115.8° | 120.0° |
| C8 | N2 | C13 | H13 | 39.0° | 54.2° |
| C8 | N2 | C13 | H93 | 80.4° | 65.8° |
| N2 | C8 | C7 | H72 | 82.6° | 60.0° |
| N2 | C8 | C7 | H71 | 37.3° | 60.0° |
| C8 | N2 | C9 | H92 | 72.7° | 65.8° |
| C8 | N2 | C9 | H91 | 47.8° | 54.1° |
| C8 | C7 | C4 | H72 | 120.0° | 120.0° |
| C8 | C7 | C4 | H71 | 120.0° | 120.1° |
| C8 | C7 | C4 | C3 | 93.7° | 90.0° |
| C8 | C7 | C4 | C5 | 87.0° | 90.0° |
| C7 | C8 | H82 | H81 | 115.7° | 120.0° |
| C8 | C7 | H72 | H71 | 119.8° | 120.1° |
| C7 | C4 | C3 | C5 | 179.3° | 179.9° |
| C7 | C4 | C3 | C2 | 178.6° | 180.0° |
| C7 | C4 | C5 | C6 | 180.0° | 179.9° |
| C7 | C4 | C3 | H3 | 1.4° | 0.1° |
| C4 | C7 | C8 | H82 | 36.0° | 60.0° |
| C4 | C7 | C8 | H81 | 81.4° | 59.9° |
| C7 | C4 | C5 | H5 | 0.0° | 0.1° |
| C4 | C7 | H72 | H71 | 119.9° | 119.9° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.7° | 0.0° |
| C3 | C4 | C5 | C6 | 0.7° | 0.0° |
| C4 | C3 | C2 | H2 | 179.3° | 180.0° |
| C3 | C4 | C5 | H5 | 179.3° | 180.0° |
| C3 | C4 | C7 | H72 | 26.3° | 150.0° |
| C3 | C4 | C7 | H71 | 146.3° | 30.0° |
| C2 | C3 | C4 | C5 | 0.7° | 0.0° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.8° | 0.0° |
| C3 | C2 | C1 | S1 | 179.3° | 179.8° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 2.2° | 0.1° |
| C5 | C4 | C3 | H3 | 179.3° | 180.0° |
| C4 | C5 | C6 | H6 | 177.8° | 179.7° |
| C5 | C4 | C7 | H72 | 153.0° | 30.0° |
| C5 | C4 | C7 | H71 | 33.1° | 149.9° |
| C2 | C1 | C6 | C5 | 2.2° | 0.1° |
| C2 | C1 | C6 | S1 | 180.0° | 179.8° |
| C2 | C1 | S1 | O2 | 14.1° | 156.8° |
| C2 | C1 | S1 | O1 | 111.0° | 23.7° |
| C2 | C1 | S1 | N1 | 131.3° | 89.7° |
| C1 | C2 | C3 | H3 | 179.3° | 180.0° |
| C2 | C1 | C6 | H6 | 177.8° | 179.7° |
| C5 | C6 | C1 | H6 | 180.0° | 179.6° |
| C5 | C6 | C1 | S1 | 177.8° | 179.7° |
| C6 | C1 | S1 | O2 | 166.0° | 23.4° |
| C6 | C1 | S1 | O1 | 68.9° | 156.4° |
| C6 | C1 | S1 | N1 | 48.7° | 90.1° |
| C6 | C1 | C2 | H2 | 179.2° | 179.9° |
| C1 | C6 | C5 | H5 | 177.8° | 180.0° |
| C1 | S1 | O2 | O1 | 116.9° | 123.0° |
| C1 | S1 | O2 | N1 | 115.8° | 114.0° |
| C1 | S1 | O1 | N1 | 116.0° | 114.0° |
| S1 | C1 | C2 | H2 | 0.8° | 0.3° |
| S1 | C1 | C6 | H6 | 2.2° | 0.1° |
| C1 | S1 | N1 | H1 | 180.0° | 0.0° |
| C1 | S1 | N1 | H14 | 60.0° | 180.0° |
| O2 | S1 | O1 | N1 | 127.2° | 122.9° |
| O2 | S1 | N1 | H1 | 65.8° | 113.5° |
| O2 | S1 | N1 | H14 | 54.1° | 66.5° |
| O1 | S1 | N1 | H1 | 65.5° | 113.5° |
| O1 | S1 | N1 | H14 | 174.5° | 66.5° |
| S1 | N1 | H1 | H14 | 120.0° | 179.9° |
| H2 | C2 | C3 | H3 | 0.6° | 0.0° |
| H6 | C6 | C5 | H5 | 2.2° | 0.4° |
| H82 | C8 | C7 | H72 | 156.0° | 180.0° |
| H82 | C8 | C7 | H71 | 84.1° | 60.0° |
| H81 | C8 | C7 | H72 | 38.7° | 60.0° |
| H81 | C8 | C7 | H71 | 158.6° | 180.0° |
| H94 | C10 | C11 | H11 | 54.7° | 57.7° |
| H94 | C10 | C9 | H92 | 49.4° | 59.1° |
| H94 | C10 | C9 | H91 | 71.1° | 60.8° |
| H10 | C10 | C11 | H11 | 173.1° | 177.8° |
| H10 | C10 | C9 | H92 | 167.7° | 179.1° |
| H10 | C10 | C9 | H91 | 47.3° | 59.2° |
| H11 | C11 | C12 | H12 | 175.4° | 177.8° |
| H11 | C11 | C12 | H95 | 55.2° | 57.7° |
| H12 | C12 | C13 | H13 | 55.6° | 59.2° |
| H12 | C12 | C13 | H93 | 175.0° | 179.2° |
| H95 | C12 | C13 | H13 | 64.6° | 60.9° |
| H95 | C12 | C13 | H93 | 54.8° | 59.1° |
| H96 | C15 | C16 | H16 | 59.6° | 180.0° |
| H96 | C15 | C16 | H97 | 60.4° | 60.0° |
| H96 | C15 | C16 | H98 | 179.7° | 60.0° |
| H15 | C15 | C16 | H16 | 59.7° | 59.9° |
| H15 | C15 | C16 | H97 | 179.7° | 179.9° |
| H15 | C15 | C16 | H98 | 60.3° | 60.1° |
| H16 | C16 | H97 | H98 | 120.0° | 120.1° |
| H18 | C18 | C19 | H19 | 0.1° | 0.0° |
| H19 | C19 | C20 | H20 | 0.2° | 0.0° |
| H20 | C20 | C21 | H21 | 1.7° | 0.0° |
| H21 | C21 | C22 | H22 | 2.8° | 0.0° |
