81F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | N03 | doub | 1.32Å | 1.33Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| N03 | C19 | sing | 1.32Å | 1.33Å | Aromatic |
| BR01 | C17 | sing | 1.89Å | 1.94Å | |
| C17 | C16 | doub | 1.39Å | 1.37Å | Aromatic |
| C19 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | N02 | sing | 1.40Å | 1.45Å | |
| C12 | N02 | sing | 1.47Å | 1.45Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| N02 | C14 | sing | 1.47Å | 1.46Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C11 | N01 | sing | 1.47Å | 1.44Å | |
| C13 | N01 | sing | 1.47Å | 1.44Å | |
| N01 | C10 | sing | 1.47Å | 1.45Å | |
| C10 | C09 | sing | 1.53Å | 1.54Å | |
| C10 | C07 | sing | 1.53Å | 1.53Å | |
| C09 | C08 | sing | 1.53Å | 1.54Å | |
| C07 | C06 | sing | 1.53Å | 1.52Å | |
| C08 | C05 | sing | 1.53Å | 1.53Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | sing | 1.51Å | 1.52Å | |
| C04 | C20 | doub | 1.38Å | 1.52Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.30Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.31Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.51Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.53Å | Aromatic |
| C02 | C22 | sing | 1.38Å | 1.31Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.51Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.08Å | 1.08Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.08Å | 1.08Å | |
| C18 | H25 | sing | 1.08Å | 1.08Å | |
| C19 | H26 | sing | 1.08Å | 1.08Å | |
| C20 | H27 | sing | 1.08Å | 1.08Å | |
| C21 | H28 | sing | 1.08Å | 1.08Å | |
| C22 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N03 | C18 | C17 | 120.1° | 120.9° |
| C18 | N03 | C19 | 122.2° | 121.8° |
| N03 | C18 | H25 | 119.9° | 119.5° |
| C18 | C17 | BR01 | 120.9° | 120.4° |
| C18 | C17 | C16 | 118.6° | 119.2° |
| C17 | C18 | H25 | 120.0° | 119.6° |
| N03 | C19 | C15 | 120.2° | 120.7° |
| N03 | C19 | H26 | 119.9° | 119.7° |
| BR01 | C17 | C16 | 120.5° | 120.4° |
| C17 | C16 | C15 | 120.9° | 118.4° |
| C17 | C16 | H24 | 119.5° | 120.8° |
| C19 | C15 | C16 | 118.0° | 119.0° |
| C19 | C15 | N02 | 121.0° | 120.5° |
| C15 | C19 | H26 | 119.9° | 119.6° |
| C16 | C15 | N02 | 121.0° | 120.5° |
| C15 | C16 | H24 | 119.5° | 120.8° |
| C15 | N02 | C12 | 114.5° | 111.1° |
| C15 | N02 | C14 | 115.7° | 111.0° |
| N02 | C12 | C11 | 112.1° | 109.4° |
| C12 | N02 | C14 | 120.2° | 110.9° |
| N02 | C12 | H18 | 108.8° | 109.5° |
| N02 | C12 | H19 | 108.8° | 109.5° |
| C12 | C11 | N01 | 111.1° | 109.4° |
| C12 | C11 | H16 | 109.0° | 109.5° |
| C12 | C11 | H17 | 109.1° | 109.5° |
| C11 | C12 | H18 | 108.8° | 109.5° |
| C11 | C12 | H19 | 108.8° | 109.5° |
| N02 | C14 | C13 | 111.8° | 109.4° |
| N02 | C14 | H22 | 108.9° | 109.5° |
| N02 | C14 | H23 | 108.9° | 109.5° |
| C14 | C13 | N01 | 108.9° | 109.4° |
| C14 | C13 | H20 | 109.6° | 109.5° |
| C14 | C13 | H21 | 109.7° | 109.5° |
| C13 | C14 | H22 | 108.9° | 109.5° |
| C13 | C14 | H23 | 108.9° | 109.5° |
| C11 | N01 | C13 | 109.2° | 110.8° |
| C11 | N01 | C10 | 109.8° | 111.0° |
| N01 | C11 | H16 | 109.1° | 109.5° |
| N01 | C11 | H17 | 109.1° | 109.5° |
| C13 | N01 | C10 | 111.4° | 111.0° |
| N01 | C13 | H20 | 109.6° | 109.5° |
| N01 | C13 | H21 | 109.6° | 109.5° |
| N01 | C10 | C09 | 112.9° | 109.5° |
| N01 | C10 | C07 | 109.3° | 109.5° |
| N01 | C10 | H15 | 108.7° | 109.5° |
| C09 | C10 | C07 | 110.5° | 109.5° |
| C10 | C09 | C08 | 115.0° | 109.5° |
| C10 | C09 | H13 | 108.1° | 109.5° |
| C10 | C09 | H14 | 108.1° | 109.4° |
| C09 | C10 | H15 | 107.5° | 109.5° |
| C10 | C07 | C06 | 114.4° | 109.5° |
| C10 | C07 | H9 | 108.2° | 109.5° |
| C10 | C07 | H10 | 108.2° | 109.5° |
| C07 | C10 | H15 | 107.7° | 109.4° |
| C09 | C08 | C05 | 113.3° | 109.5° |
| C09 | C08 | H11 | 108.5° | 109.5° |
| C09 | C08 | H12 | 108.5° | 109.5° |
| C08 | C09 | H13 | 108.1° | 109.5° |
| C08 | C09 | H14 | 108.1° | 109.5° |
| C07 | C06 | C05 | 113.4° | 109.5° |
| C07 | C06 | H7 | 108.5° | 109.5° |
| C07 | C06 | H8 | 108.5° | 109.5° |
| C06 | C07 | H9 | 108.2° | 109.4° |
| C06 | C07 | H10 | 108.2° | 109.4° |
| C08 | C05 | C06 | 108.5° | 109.5° |
| C08 | C05 | C04 | 113.1° | 109.5° |
| C08 | C05 | H6 | 108.4° | 109.4° |
| C05 | C08 | H11 | 108.5° | 109.5° |
| C05 | C08 | H12 | 108.5° | 109.5° |
| C06 | C05 | C04 | 109.7° | 109.5° |
| C06 | C05 | H6 | 108.4° | 109.5° |
| C05 | C06 | H7 | 108.5° | 109.5° |
| C05 | C06 | H8 | 108.5° | 109.4° |
| C05 | C04 | C20 | 122.5° | 120.0° |
| C05 | C04 | C03 | 117.6° | 120.0° |
| C04 | C05 | H6 | 108.5° | 109.5° |
| C20 | C04 | C03 | 119.9° | 120.0° |
| C04 | C20 | C21 | 119.1° | 119.9° |
| C04 | C20 | H27 | 120.4° | 120.0° |
| C04 | C03 | C02 | 120.6° | 120.0° |
| C04 | C03 | H5 | 119.7° | 120.0° |
| C20 | C21 | C22 | 121.0° | 120.1° |
| C21 | C20 | H27 | 120.4° | 120.1° |
| C20 | C21 | H28 | 119.5° | 119.9° |
| C03 | C02 | C22 | 120.6° | 120.0° |
| C03 | C02 | C01 | 117.3° | 120.0° |
| C02 | C03 | H5 | 119.7° | 120.1° |
| C21 | C22 | C02 | 118.6° | 119.9° |
| C22 | C21 | H28 | 119.5° | 120.0° |
| C21 | C22 | H29 | 120.7° | 120.1° |
| C22 | C02 | C01 | 122.1° | 120.0° |
| C02 | C22 | H29 | 120.7° | 120.0° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.4° | 109.4° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H7 | C06 | H8 | 109.5° | 109.5° |
| H9 | C07 | H10 | 109.4° | 109.5° |
| H11 | C08 | H12 | 109.5° | 109.4° |
| H13 | C09 | H14 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.4° | 109.4° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H20 | C13 | H21 | 109.4° | 109.5° |
| H22 | C14 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N03 | C18 | C17 | H25 | 180.0° | 180.0° |
| N03 | C18 | C17 | BR01 | 179.9° | 180.0° |
| N03 | C18 | C17 | C16 | 0.2° | 0.0° |
| C18 | N03 | C19 | C15 | 0.3° | 0.0° |
| C18 | N03 | C19 | H26 | 179.7° | 180.0° |
| C17 | C18 | N03 | C19 | 0.2° | 0.0° |
| C18 | C17 | BR01 | C16 | 179.9° | 180.0° |
| C18 | C17 | C16 | C15 | 0.4° | 0.0° |
| C18 | C17 | C16 | H24 | 179.6° | 180.0° |
| N03 | C19 | C15 | H26 | 180.0° | 180.0° |
| N03 | C19 | C15 | C16 | 0.5° | 0.0° |
| N03 | C19 | C15 | N02 | 179.4° | 180.0° |
| C19 | N03 | C18 | H25 | 179.8° | 180.0° |
| BR01 | C17 | C16 | C15 | 179.7° | 180.0° |
| BR01 | C17 | C16 | H24 | 0.3° | 0.0° |
| BR01 | C17 | C18 | H25 | 0.1° | 0.0° |
| C17 | C16 | C15 | C19 | 0.6° | 0.0° |
| C17 | C16 | C15 | H24 | 180.0° | 180.0° |
| C17 | C16 | C15 | N02 | 179.5° | 180.0° |
| C16 | C17 | C18 | H25 | 179.8° | 180.0° |
| C19 | C15 | C16 | N02 | 178.9° | 180.0° |
| C19 | C15 | N02 | C12 | 25.4° | 123.8° |
| C19 | C15 | N02 | C14 | 171.9° | 0.0° |
| C19 | C15 | C16 | H24 | 179.4° | 180.0° |
| C16 | C15 | N02 | C12 | 153.5° | 56.2° |
| C16 | C15 | N02 | C14 | 6.9° | 180.0° |
| C16 | C15 | C19 | H26 | 179.5° | 180.0° |
| C15 | N02 | C12 | C14 | 145.0° | 123.9° |
| C15 | N02 | C12 | C11 | 176.4° | 176.8° |
| C15 | N02 | C14 | C13 | 173.0° | 176.8° |
| C15 | N02 | C12 | H18 | 56.0° | 56.8° |
| C15 | N02 | C12 | H19 | 63.2° | 63.2° |
| C15 | N02 | C14 | H22 | 52.6° | 63.3° |
| C15 | N02 | C14 | H23 | 66.7° | 56.8° |
| N02 | C15 | C16 | H24 | 0.6° | 0.0° |
| N02 | C15 | C19 | H26 | 0.6° | 0.0° |
| N02 | C12 | C11 | H18 | 120.4° | 120.0° |
| N02 | C12 | C11 | H19 | 120.4° | 120.0° |
| C12 | N02 | C14 | C13 | 28.4° | 59.2° |
| N02 | C12 | C11 | N01 | 6.0° | 58.4° |
| N02 | C12 | C11 | H16 | 126.3° | 178.4° |
| N02 | C12 | C11 | H17 | 114.2° | 61.6° |
| N02 | C12 | H18 | H19 | 118.8° | 120.0° |
| C12 | N02 | C14 | H22 | 91.9° | 60.7° |
| C12 | N02 | C14 | H23 | 148.8° | 179.3° |
| C11 | C12 | N02 | C14 | 38.7° | 59.3° |
| C12 | C11 | N01 | H16 | 120.3° | 120.0° |
| C12 | C11 | N01 | H17 | 120.3° | 120.0° |
| C12 | C11 | N01 | C13 | 59.8° | 59.3° |
| C12 | C11 | N01 | C10 | 177.8° | 64.5° |
| C12 | C11 | H16 | H17 | 119.2° | 120.0° |
| C11 | C12 | H18 | H19 | 118.8° | 120.0° |
| N02 | C14 | C13 | H22 | 120.3° | 119.9° |
| N02 | C14 | C13 | H23 | 120.3° | 120.0° |
| N02 | C14 | C13 | N01 | 25.4° | 58.4° |
| C14 | N02 | C12 | H18 | 159.1° | 179.3° |
| C14 | N02 | C12 | H19 | 81.7° | 60.7° |
| N02 | C14 | C13 | H20 | 94.6° | 61.6° |
| N02 | C14 | C13 | H21 | 145.3° | 178.3° |
| N02 | C14 | H22 | H23 | 118.9° | 120.0° |
| C14 | C13 | N01 | C11 | 70.5° | 59.3° |
| C14 | C13 | N01 | H20 | 119.9° | 120.0° |
| C14 | C13 | N01 | H21 | 119.9° | 120.0° |
| C14 | C13 | N01 | C10 | 168.0° | 64.5° |
| C14 | C13 | H20 | H21 | 120.3° | 120.0° |
| C13 | C14 | H22 | H23 | 119.0° | 120.1° |
| C11 | N01 | C13 | C10 | 121.5° | 123.8° |
| C11 | N01 | C10 | C09 | 57.1° | 180.0° |
| C11 | N01 | C10 | C07 | 179.4° | 60.0° |
| C11 | N01 | C10 | H15 | 62.1° | 59.9° |
| N01 | C11 | H16 | H17 | 119.2° | 120.0° |
| N01 | C11 | C12 | H18 | 114.4° | 178.4° |
| N01 | C11 | C12 | H19 | 126.4° | 61.6° |
| C11 | N01 | C13 | H20 | 49.4° | 60.7° |
| C11 | N01 | C13 | H21 | 169.6° | 179.3° |
| C13 | N01 | C10 | C09 | 64.0° | 56.2° |
| C13 | N01 | C10 | C07 | 59.5° | 176.2° |
| C13 | N01 | C10 | H15 | 176.8° | 63.8° |
| C13 | N01 | C11 | H16 | 180.0° | 179.3° |
| C13 | N01 | C11 | H17 | 60.5° | 60.7° |
| N01 | C13 | H20 | H21 | 120.2° | 120.0° |
| N01 | C13 | C14 | H22 | 145.7° | 61.5° |
| N01 | C13 | C14 | H23 | 95.0° | 178.4° |
| N01 | C10 | C09 | C07 | 122.8° | 120.0° |
| N01 | C10 | C09 | H15 | 119.9° | 120.0° |
| N01 | C10 | C07 | H15 | 117.9° | 120.0° |
| N01 | C10 | C09 | C08 | 176.2° | 60.0° |
| N01 | C10 | C07 | C06 | 159.3° | 60.0° |
| N01 | C10 | C07 | H9 | 38.6° | 180.0° |
| N01 | C10 | C07 | H10 | 80.0° | 60.0° |
| N01 | C10 | C09 | H13 | 63.0° | 60.0° |
| N01 | C10 | C09 | H14 | 55.4° | 180.0° |
| C10 | N01 | C11 | H16 | 57.5° | 55.5° |
| C10 | N01 | C11 | H17 | 62.0° | 175.4° |
| C10 | N01 | C13 | H20 | 72.0° | 175.5° |
| C10 | N01 | C13 | H21 | 48.1° | 55.4° |
| C09 | C10 | C07 | H15 | 117.2° | 120.0° |
| C10 | C09 | C08 | H13 | 120.8° | 120.0° |
| C10 | C09 | C08 | H14 | 120.8° | 119.9° |
| C09 | C10 | C07 | C06 | 34.4° | 60.0° |
| C10 | C09 | C08 | C05 | 13.0° | 60.0° |
| C09 | C10 | C07 | H9 | 86.3° | 60.0° |
| C09 | C10 | C07 | H10 | 155.1° | 180.0° |
| C10 | C09 | C08 | H11 | 107.6° | 60.0° |
| C10 | C09 | C08 | H12 | 133.6° | 180.0° |
| C10 | C09 | H13 | H14 | 117.5° | 120.0° |
| C07 | C10 | C09 | C08 | 53.3° | 60.0° |
| C10 | C07 | C06 | H9 | 120.7° | 120.0° |
| C10 | C07 | C06 | H10 | 120.7° | 120.0° |
| C10 | C07 | C06 | C05 | 22.0° | 60.0° |
| C10 | C07 | C06 | H7 | 98.5° | 180.0° |
| C10 | C07 | C06 | H8 | 142.6° | 60.0° |
| C10 | C07 | H9 | H10 | 117.8° | 120.1° |
| C07 | C10 | C09 | H13 | 174.1° | 180.0° |
| C07 | C10 | C09 | H14 | 67.5° | 60.0° |
| C09 | C08 | C05 | H11 | 120.6° | 120.0° |
| C09 | C08 | C05 | H12 | 120.6° | 120.0° |
| C09 | C08 | C05 | C06 | 43.1° | 60.0° |
| C09 | C08 | C05 | C04 | 165.1° | 180.0° |
| C09 | C08 | C05 | H6 | 74.4° | 60.0° |
| C09 | C08 | H11 | H12 | 118.3° | 120.0° |
| C08 | C09 | H13 | H14 | 117.5° | 120.0° |
| C08 | C09 | C10 | H15 | 64.0° | 180.0° |
| C07 | C06 | C05 | C08 | 62.6° | 60.0° |
| C07 | C06 | C05 | H7 | 120.6° | 120.0° |
| C07 | C06 | C05 | H8 | 120.6° | 120.0° |
| C07 | C06 | C05 | C04 | 173.3° | 180.0° |
| C07 | C06 | C05 | H6 | 55.0° | 60.0° |
| C07 | C06 | H7 | H8 | 118.2° | 120.0° |
| C06 | C07 | H9 | H10 | 117.7° | 119.9° |
| C06 | C07 | C10 | H15 | 82.8° | 180.0° |
| C08 | C05 | C06 | C04 | 124.1° | 120.0° |
| C08 | C05 | C06 | H6 | 117.5° | 120.0° |
| C08 | C05 | C04 | H6 | 120.4° | 120.0° |
| C08 | C05 | C04 | C20 | 27.4° | 60.0° |
| C08 | C05 | C04 | C03 | 153.8° | 120.0° |
| C08 | C05 | C06 | H7 | 58.0° | 180.0° |
| C08 | C05 | C06 | H8 | 176.8° | 60.0° |
| C05 | C08 | H11 | H12 | 118.2° | 120.0° |
| C05 | C08 | C09 | H13 | 133.8° | 180.0° |
| C05 | C08 | C09 | H14 | 107.8° | 60.0° |
| C06 | C05 | C04 | H6 | 118.3° | 120.0° |
| C06 | C05 | C04 | C20 | 148.7° | 60.0° |
| C06 | C05 | C04 | C03 | 32.5° | 120.0° |
| C05 | C06 | H7 | H8 | 118.2° | 119.9° |
| C05 | C06 | C07 | H9 | 142.8° | 60.0° |
| C05 | C06 | C07 | H10 | 98.7° | 180.0° |
| C06 | C05 | C08 | H11 | 163.7° | 60.1° |
| C06 | C05 | C08 | H12 | 77.5° | 180.0° |
| C05 | C04 | C20 | C03 | 178.8° | 180.0° |
| C05 | C04 | C20 | C21 | 179.5° | 180.0° |
| C05 | C04 | C03 | C02 | 179.7° | 180.0° |
| C05 | C04 | C03 | H5 | 0.3° | 0.0° |
| C04 | C05 | C06 | H7 | 66.1° | 60.0° |
| C04 | C05 | C06 | H8 | 52.8° | 60.0° |
| C04 | C05 | C08 | H11 | 74.3° | 60.0° |
| C04 | C05 | C08 | H12 | 44.5° | 60.0° |
| C05 | C04 | C20 | H27 | 0.5° | 0.0° |
| C04 | C20 | C21 | H27 | 180.0° | 179.9° |
| C20 | C04 | C03 | C02 | 0.9° | 0.0° |
| C04 | C20 | C21 | C22 | 0.3° | 0.1° |
| C20 | C04 | C03 | H5 | 179.1° | 179.9° |
| C20 | C04 | C05 | H6 | 93.0° | 179.9° |
| C04 | C20 | C21 | H28 | 179.7° | 180.0° |
| C03 | C04 | C20 | C21 | 0.8° | 0.1° |
| C04 | C03 | C02 | H5 | 180.0° | 179.9° |
| C04 | C03 | C02 | C22 | 0.5° | 0.0° |
| C04 | C03 | C02 | C01 | 179.4° | 179.7° |
| C03 | C04 | C05 | H6 | 85.8° | 0.0° |
| C03 | C04 | C20 | H27 | 179.2° | 180.0° |
| C20 | C21 | C22 | H28 | 180.0° | 179.9° |
| C20 | C21 | C22 | C02 | 0.0° | 0.0° |
| C20 | C21 | C22 | H29 | 180.0° | 179.8° |
| C03 | C02 | C22 | C21 | 0.1° | 0.0° |
| C03 | C02 | C22 | C01 | 179.9° | 179.7° |
| C03 | C02 | C01 | H1 | 90.0° | 89.8° |
| C03 | C02 | C01 | H2 | 150.0° | 30.3° |
| C03 | C02 | C01 | H3 | 30.0° | 150.3° |
| C03 | C02 | C22 | H29 | 180.0° | 179.7° |
| C21 | C22 | C02 | H29 | 180.0° | 179.7° |
| C21 | C22 | C02 | C01 | 179.8° | 179.7° |
| C22 | C21 | C20 | H27 | 179.7° | 180.0° |
| C22 | C02 | C01 | H1 | 90.1° | 89.9° |
| C22 | C02 | C01 | H2 | 29.9° | 150.0° |
| C22 | C02 | C01 | H3 | 149.9° | 30.0° |
| C22 | C02 | C03 | H5 | 179.5° | 180.0° |
| C02 | C22 | C21 | H28 | 180.0° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.1° |
| C02 | C01 | H1 | H3 | 120.0° | 119.9° |
| C02 | C01 | H2 | H3 | 120.0° | 119.9° |
| C01 | C02 | C03 | H5 | 0.6° | 0.4° |
| C01 | C02 | C22 | H29 | 0.1° | 0.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H6 | C05 | C06 | H7 | 175.5° | 60.0° |
| H6 | C05 | C06 | H8 | 65.6° | 180.0° |
| H6 | C05 | C08 | H11 | 46.1° | 179.9° |
| H6 | C05 | C08 | H12 | 165.0° | 60.0° |
| H7 | C06 | C07 | H9 | 22.2° | 60.0° |
| H7 | C06 | C07 | H10 | 140.7° | 60.0° |
| H8 | C06 | C07 | H9 | 96.7° | 180.0° |
| H8 | C06 | C07 | H10 | 21.9° | 60.0° |
| H9 | C07 | C10 | H15 | 156.5° | 60.0° |
| H10 | C07 | C10 | H15 | 37.9° | 60.0° |
| H11 | C08 | C09 | H13 | 13.3° | 60.0° |
| H11 | C08 | C09 | H14 | 131.6° | 180.0° |
| H12 | C08 | C09 | H13 | 105.6° | 60.0° |
| H12 | C08 | C09 | H14 | 12.8° | 60.0° |
| H13 | C09 | C10 | H15 | 56.9° | 60.0° |
| H14 | C09 | C10 | H15 | 175.2° | 60.0° |
| H16 | C11 | C12 | H18 | 5.9° | 61.6° |
| H16 | C11 | C12 | H19 | 113.3° | 58.4° |
| H17 | C11 | C12 | H18 | 125.4° | 58.4° |
| H17 | C11 | C12 | H19 | 6.2° | 178.4° |
| H20 | C13 | C14 | H22 | 25.8° | 178.5° |
| H20 | C13 | C14 | H23 | 145.1° | 58.4° |
| H21 | C13 | C14 | H22 | 94.4° | 58.4° |
| H21 | C13 | C14 | H23 | 24.9° | 61.6° |
| H27 | C20 | C21 | H28 | 0.3° | 0.1° |
| H28 | C21 | C22 | H29 | 0.1° | 0.3° |
