GFZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.37Å | Aromatic |
| O3 | C23 | doub | 1.22Å | 1.25Å | |
| C29 | C24 | sing | 1.39Å | 1.42Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.36Å | Aromatic |
| C21 | C20 | sing | 1.40Å | 1.36Å | Aromatic |
| C23 | N2 | sing | 1.35Å | 1.35Å | |
| C23 | C20 | sing | 1.48Å | 1.49Å | |
| C24 | N2 | sing | 1.40Å | 1.39Å | |
| C24 | C25 | doub | 1.39Å | 1.37Å | Aromatic |
| C22 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| O1 | C10 | doub | 1.21Å | 1.24Å | |
| C10 | C11 | sing | 1.47Å | 1.49Å | |
| C10 | C9 | sing | 1.52Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C12 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C13 | sing | 1.48Å | 1.48Å | |
| C17 | C18 | doub | 1.40Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | N1 | sing | 1.47Å | 1.49Å | |
| C11 | C16 | sing | 1.41Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C6 | sing | 1.53Å | 1.50Å | |
| N1 | C2 | sing | 1.47Å | 1.50Å | |
| N1 | C8 | sing | 1.47Å | 1.48Å | |
| C6 | O2 | sing | 1.43Å | 1.48Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C16 | O2 | sing | 1.35Å | 1.38Å | |
| C16 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| C19 | H24 | sing | 1.08Å | 1.08Å | |
| C21 | H25 | sing | 1.08Å | 1.08Å | |
| C22 | H26 | sing | 1.08Å | 1.08Å | |
| C25 | H27 | sing | 1.08Å | 1.08Å | |
| C26 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | H29 | sing | 1.08Å | 1.08Å | |
| C28 | H30 | sing | 1.08Å | 1.08Å | |
| C29 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C28 | C27 | 122.0° | 120.0° |
| C28 | C29 | C24 | 120.3° | 120.0° |
| C29 | C28 | H30 | 119.0° | 120.0° |
| C28 | C29 | H31 | 119.9° | 120.0° |
| C28 | C27 | C26 | 117.5° | 120.2° |
| C28 | C27 | H29 | 121.3° | 119.9° |
| C27 | C28 | H30 | 119.0° | 120.0° |
| O3 | C23 | N2 | 119.4° | 120.0° |
| O3 | C23 | C20 | 121.0° | 120.0° |
| C29 | C24 | N2 | 126.7° | 120.1° |
| C29 | C24 | C25 | 117.1° | 119.8° |
| C24 | C29 | H31 | 119.8° | 120.0° |
| C27 | C26 | C25 | 121.4° | 120.1° |
| C27 | C26 | H28 | 119.3° | 120.0° |
| C26 | C27 | H29 | 121.3° | 119.9° |
| C22 | C21 | C20 | 121.4° | 120.0° |
| C21 | C22 | C17 | 121.7° | 120.0° |
| C22 | C21 | H25 | 119.3° | 120.0° |
| C21 | C22 | H26 | 119.1° | 120.0° |
| C21 | C20 | C23 | 118.4° | 120.0° |
| C21 | C20 | C19 | 118.7° | 119.9° |
| C20 | C21 | H25 | 119.3° | 120.0° |
| N2 | C23 | C20 | 119.5° | 120.0° |
| C23 | N2 | C24 | 128.7° | 120.0° |
| C23 | N2 | H14 | 115.6° | 120.0° |
| C23 | C20 | C19 | 122.6° | 120.0° |
| N2 | C24 | C25 | 116.0° | 120.1° |
| C24 | N2 | H14 | 115.7° | 120.0° |
| C24 | C25 | C26 | 121.6° | 119.9° |
| C24 | C25 | H27 | 119.2° | 120.0° |
| C22 | C17 | C13 | 117.3° | 120.0° |
| C22 | C17 | C18 | 117.9° | 120.1° |
| C17 | C22 | H26 | 119.2° | 120.0° |
| C20 | C19 | C18 | 120.2° | 120.0° |
| C20 | C19 | H24 | 119.9° | 120.0° |
| C26 | C25 | H27 | 119.2° | 120.1° |
| C25 | C26 | H28 | 119.3° | 120.0° |
| O1 | C10 | C11 | 121.8° | 121.8° |
| O1 | C10 | C9 | 116.9° | 121.7° |
| C11 | C10 | C9 | 120.0° | 116.5° |
| C10 | C11 | C12 | 123.2° | 120.6° |
| C10 | C11 | C16 | 117.4° | 119.1° |
| C10 | C9 | C6 | 106.0° | 107.1° |
| C10 | C9 | H10 | 110.3° | 110.0° |
| C10 | C9 | H11 | 110.3° | 110.0° |
| C4 | C5 | C6 | 111.7° | 109.3° |
| C5 | C4 | N1 | 109.8° | 109.5° |
| C5 | C4 | H1 | 109.4° | 109.5° |
| C5 | C4 | H2 | 109.4° | 109.5° |
| C4 | C5 | H4 | 108.9° | 109.4° |
| C4 | C5 | H5 | 108.9° | 109.5° |
| C5 | C6 | C9 | 108.8° | 109.4° |
| C5 | C6 | O2 | 117.3° | 109.8° |
| C5 | C6 | C7 | 109.1° | 109.3° |
| C6 | C5 | H4 | 108.9° | 109.5° |
| C6 | C5 | H5 | 108.9° | 109.5° |
| C11 | C12 | C13 | 122.5° | 119.5° |
| C12 | C11 | C16 | 119.4° | 120.3° |
| C11 | C12 | H12 | 118.7° | 120.2° |
| C12 | C13 | C17 | 122.0° | 120.0° |
| C12 | C13 | C14 | 117.6° | 119.9° |
| C13 | C12 | H12 | 118.7° | 120.3° |
| C13 | C17 | C18 | 124.7° | 120.0° |
| C17 | C13 | C14 | 120.4° | 120.0° |
| C17 | C18 | C19 | 120.0° | 120.0° |
| C17 | C18 | H23 | 120.0° | 120.0° |
| C19 | C18 | H23 | 120.0° | 120.0° |
| C18 | C19 | H24 | 119.9° | 120.0° |
| C4 | N1 | C2 | 113.8° | 111.0° |
| C4 | N1 | C8 | 107.7° | 111.2° |
| N1 | C4 | H1 | 109.4° | 109.5° |
| N1 | C4 | H2 | 109.4° | 109.5° |
| C11 | C16 | O2 | 118.6° | 120.7° |
| C11 | C16 | C15 | 119.1° | 119.4° |
| C13 | C14 | C15 | 120.2° | 120.6° |
| C13 | C14 | H3 | 119.9° | 119.8° |
| C9 | C6 | O2 | 106.3° | 109.4° |
| C9 | C6 | C7 | 106.6° | 109.2° |
| C6 | C9 | H10 | 110.3° | 109.9° |
| C6 | C9 | H11 | 110.3° | 109.9° |
| C2 | N1 | C8 | 112.4° | 111.0° |
| N1 | C2 | C3 | 113.3° | 109.5° |
| N1 | C2 | C1 | 113.7° | 109.5° |
| N1 | C2 | H21 | 107.4° | 109.5° |
| N1 | C8 | C7 | 113.8° | 109.5° |
| N1 | C8 | H8 | 108.4° | 109.4° |
| N1 | C8 | H9 | 108.4° | 109.4° |
| O2 | C6 | C7 | 108.3° | 109.7° |
| C6 | O2 | C16 | 121.9° | 118.7° |
| C6 | C7 | C8 | 111.5° | 109.3° |
| C6 | C7 | H6 | 109.0° | 109.5° |
| C6 | C7 | H7 | 109.0° | 109.5° |
| C3 | C2 | C1 | 107.9° | 109.5° |
| C2 | C3 | H15 | 109.5° | 109.5° |
| C2 | C3 | H16 | 109.5° | 109.5° |
| C2 | C3 | H17 | 109.4° | 109.5° |
| C3 | C2 | H21 | 107.4° | 109.4° |
| C2 | C1 | H18 | 109.5° | 109.5° |
| C2 | C1 | H19 | 109.5° | 109.5° |
| C2 | C1 | H20 | 109.5° | 109.4° |
| C1 | C2 | H21 | 106.9° | 109.5° |
| O2 | C16 | C15 | 122.3° | 119.9° |
| C16 | C15 | C14 | 121.0° | 120.3° |
| C16 | C15 | H22 | 119.5° | 119.8° |
| C15 | C14 | H3 | 119.9° | 119.7° |
| C14 | C15 | H22 | 119.5° | 119.9° |
| C8 | C7 | H6 | 109.0° | 109.5° |
| C8 | C7 | H7 | 109.0° | 109.5° |
| C7 | C8 | H8 | 108.4° | 109.5° |
| C7 | C8 | H9 | 108.4° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.6° |
| H10 | C9 | H11 | 109.5° | 109.8° |
| H15 | C3 | H16 | 109.4° | 109.5° |
| H15 | C3 | H17 | 109.5° | 109.4° |
| H16 | C3 | H17 | 109.5° | 109.5° |
| H18 | C1 | H19 | 109.5° | 109.5° |
| H18 | C1 | H20 | 109.5° | 109.4° |
| H19 | C1 | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C28 | C27 | H30 | 180.0° | 179.4° |
| C28 | C29 | C24 | H31 | 180.0° | 179.5° |
| C29 | C28 | C27 | C26 | 1.2° | 0.3° |
| C28 | C29 | C24 | N2 | 178.3° | 179.7° |
| C28 | C29 | C24 | C25 | 2.9° | 0.6° |
| C29 | C28 | C27 | H29 | 178.8° | 179.8° |
| C27 | C28 | C29 | C24 | 1.5° | 0.6° |
| C28 | C27 | C26 | H29 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 2.5° | 0.0° |
| C28 | C27 | C26 | H28 | 177.5° | 180.0° |
| C27 | C28 | C29 | H31 | 178.5° | 180.0° |
| O3 | C23 | C20 | C21 | 4.2° | 180.0° |
| O3 | C23 | N2 | C20 | 176.7° | 180.0° |
| O3 | C23 | N2 | C24 | 13.8° | 4.6° |
| O3 | C23 | C20 | C19 | 169.1° | 0.1° |
| O3 | C23 | N2 | H14 | 166.2° | 175.4° |
| C29 | C24 | N2 | C23 | 6.8° | 145.2° |
| C29 | C24 | N2 | C25 | 175.4° | 179.7° |
| C29 | C24 | C25 | C26 | 1.7° | 0.3° |
| C29 | C24 | N2 | H14 | 173.2° | 34.8° |
| C29 | C24 | C25 | H27 | 178.3° | 179.7° |
| C24 | C29 | C28 | H30 | 178.5° | 180.0° |
| C27 | C26 | C25 | C24 | 1.0° | 0.0° |
| C27 | C26 | C25 | H28 | 180.0° | 179.9° |
| C27 | C26 | C25 | H27 | 179.0° | 180.0° |
| C26 | C27 | C28 | H30 | 178.8° | 179.8° |
| C22 | C21 | C20 | H25 | 180.0° | 179.5° |
| C22 | C21 | C20 | C23 | 175.7° | 179.7° |
| C21 | C22 | C17 | H26 | 180.0° | 179.5° |
| C22 | C21 | C20 | C19 | 2.1° | 0.2° |
| C21 | C22 | C17 | C13 | 178.4° | 179.7° |
| C21 | C22 | C17 | C18 | 0.7° | 0.5° |
| C21 | C20 | C23 | N2 | 179.1° | 0.0° |
| C21 | C20 | C23 | C19 | 173.3° | 180.0° |
| C20 | C21 | C22 | C17 | 1.6° | 0.5° |
| C21 | C20 | C19 | C18 | 1.8° | 0.0° |
| C21 | C20 | C19 | H24 | 178.2° | 180.0° |
| C20 | C21 | C22 | H26 | 178.4° | 180.0° |
| C23 | N2 | C24 | H14 | 180.0° | 180.0° |
| C23 | N2 | C24 | C25 | 177.9° | 35.1° |
| N2 | C23 | C20 | C19 | 7.6° | 180.0° |
| C20 | C23 | N2 | C24 | 162.9° | 175.3° |
| C23 | C20 | C19 | C18 | 175.1° | 180.0° |
| C20 | C23 | N2 | H14 | 17.1° | 4.6° |
| C23 | C20 | C19 | H24 | 4.9° | 0.0° |
| C23 | C20 | C21 | H25 | 4.3° | 0.3° |
| N2 | C24 | C25 | C26 | 177.5° | 180.0° |
| N2 | C24 | C25 | H27 | 2.4° | 0.0° |
| N2 | C24 | C29 | H31 | 1.7° | 0.3° |
| C24 | C25 | C26 | H27 | 180.0° | 180.0° |
| C25 | C24 | N2 | H14 | 2.2° | 144.9° |
| C24 | C25 | C26 | H28 | 179.0° | 180.0° |
| C25 | C24 | C29 | H31 | 177.1° | 180.0° |
| C22 | C17 | C13 | C12 | 53.0° | 0.2° |
| C22 | C17 | C13 | C18 | 177.5° | 179.8° |
| C22 | C17 | C18 | C19 | 0.4° | 0.3° |
| C22 | C17 | C13 | C14 | 126.4° | 179.8° |
| C22 | C17 | C18 | H23 | 179.6° | 179.8° |
| C17 | C22 | C21 | H25 | 178.4° | 180.0° |
| C20 | C19 | C18 | C17 | 1.0° | 0.0° |
| C20 | C19 | C18 | H24 | 180.0° | 180.0° |
| C20 | C19 | C18 | H23 | 179.0° | 179.9° |
| C19 | C20 | C21 | H25 | 177.9° | 179.7° |
| C25 | C26 | C27 | H29 | 177.5° | 179.9° |
| O1 | C10 | C11 | C9 | 166.9° | 179.9° |
| O1 | C10 | C11 | C12 | 1.4° | 11.7° |
| O1 | C10 | C11 | C16 | 176.9° | 168.0° |
| O1 | C10 | C9 | C6 | 150.6° | 140.0° |
| O1 | C10 | C9 | H10 | 89.9° | 100.6° |
| O1 | C10 | C9 | H11 | 31.2° | 20.5° |
| C10 | C11 | C12 | C16 | 178.4° | 179.7° |
| C10 | C11 | C12 | C13 | 175.0° | 179.6° |
| C11 | C10 | C9 | C6 | 41.8° | 39.9° |
| C10 | C11 | C16 | O2 | 2.6° | 0.6° |
| C10 | C11 | C16 | C15 | 174.7° | 179.6° |
| C11 | C10 | C9 | H10 | 77.6° | 79.5° |
| C11 | C10 | C9 | H11 | 161.3° | 159.4° |
| C10 | C11 | C12 | H12 | 5.0° | 0.4° |
| C10 | C9 | C6 | C5 | 68.8° | 179.1° |
| C9 | C10 | C11 | C12 | 168.4° | 168.4° |
| C9 | C10 | C11 | C16 | 10.0° | 11.9° |
| C10 | C9 | C6 | H10 | 119.4° | 119.4° |
| C10 | C9 | C6 | H11 | 119.5° | 119.6° |
| C10 | C9 | C6 | O2 | 58.3° | 58.8° |
| C10 | C9 | C6 | C7 | 173.6° | 61.3° |
| C10 | C9 | H10 | H11 | 121.6° | 121.2° |
| C4 | C5 | C6 | H4 | 120.3° | 119.9° |
| C4 | C5 | C6 | H5 | 120.3° | 120.0° |
| C5 | C4 | N1 | H1 | 120.1° | 120.0° |
| C5 | C4 | N1 | H2 | 120.1° | 120.0° |
| C4 | C5 | C6 | C9 | 169.3° | 177.0° |
| C5 | C4 | N1 | C2 | 171.2° | 174.1° |
| C5 | C4 | N1 | C8 | 63.5° | 61.8° |
| C4 | C5 | C6 | O2 | 70.2° | 62.9° |
| C4 | C5 | C6 | C7 | 53.3° | 57.5° |
| C5 | C4 | H1 | H2 | 119.8° | 120.0° |
| C4 | C5 | H4 | H5 | 119.0° | 120.0° |
| C6 | C5 | C4 | N1 | 62.5° | 59.0° |
| C5 | C6 | C9 | O2 | 127.1° | 120.3° |
| C5 | C6 | C9 | C7 | 117.6° | 119.6° |
| C5 | C6 | O2 | C7 | 123.9° | 120.1° |
| C5 | C6 | O2 | C16 | 67.8° | 172.8° |
| C5 | C6 | C7 | C8 | 47.6° | 57.5° |
| C6 | C5 | C4 | H1 | 177.4° | 179.0° |
| C6 | C5 | C4 | H2 | 57.6° | 61.0° |
| C6 | C5 | H4 | H5 | 119.0° | 120.1° |
| C5 | C6 | C7 | H6 | 167.9° | 177.4° |
| C5 | C6 | C7 | H7 | 72.7° | 62.4° |
| C5 | C6 | C9 | H10 | 171.8° | 59.6° |
| C5 | C6 | C9 | H11 | 50.7° | 61.4° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C17 | 179.9° | 180.0° |
| C11 | C12 | C13 | C14 | 0.7° | 0.0° |
| C12 | C11 | C16 | O2 | 179.0° | 179.7° |
| C12 | C11 | C16 | C15 | 3.8° | 0.2° |
| C12 | C13 | C17 | C14 | 179.4° | 180.0° |
| C12 | C13 | C17 | C18 | 129.5° | 180.0° |
| C13 | C12 | C11 | C16 | 3.4° | 0.1° |
| C12 | C13 | C14 | C15 | 1.5° | 0.1° |
| C12 | C13 | C14 | H3 | 178.5° | 179.9° |
| C13 | C17 | C18 | C19 | 177.9° | 180.0° |
| C17 | C13 | C14 | C15 | 177.9° | 179.9° |
| C17 | C13 | C14 | H3 | 2.1° | 0.1° |
| C17 | C13 | C12 | H12 | 0.1° | 0.0° |
| C13 | C17 | C18 | H23 | 2.1° | 0.0° |
| C13 | C17 | C22 | H26 | 1.6° | 0.2° |
| C17 | C18 | C19 | H23 | 180.0° | 179.9° |
| C18 | C17 | C13 | C14 | 51.1° | 0.0° |
| C17 | C18 | C19 | H24 | 179.0° | 180.0° |
| C18 | C17 | C22 | H26 | 179.2° | 180.0° |
| C4 | N1 | C2 | C8 | 122.8° | 124.3° |
| C4 | N1 | C2 | C3 | 35.8° | 180.0° |
| C4 | N1 | C2 | C1 | 159.5° | 60.0° |
| C4 | N1 | C8 | C7 | 59.9° | 61.8° |
| N1 | C4 | H1 | H2 | 119.8° | 120.0° |
| N1 | C4 | C5 | H4 | 177.2° | 179.0° |
| N1 | C4 | C5 | H5 | 57.8° | 61.0° |
| C4 | N1 | C8 | H8 | 179.5° | 58.2° |
| C4 | N1 | C8 | H9 | 60.7° | 178.2° |
| C4 | N1 | C2 | H21 | 82.5° | 60.1° |
| C11 | C16 | O2 | C6 | 21.2° | 22.5° |
| C11 | C16 | O2 | C15 | 177.1° | 179.8° |
| C11 | C16 | C15 | C14 | 1.6° | 0.1° |
| C16 | C11 | C12 | H12 | 176.6° | 179.9° |
| C11 | C16 | C15 | H22 | 178.3° | 179.9° |
| C13 | C14 | C15 | C16 | 1.1° | 0.0° |
| C13 | C14 | C15 | H3 | 180.0° | 180.0° |
| C14 | C13 | C12 | H12 | 179.3° | 180.0° |
| C13 | C14 | C15 | H22 | 179.0° | 179.9° |
| C9 | C6 | O2 | C7 | 114.2° | 119.8° |
| C9 | C6 | O2 | C16 | 54.1° | 52.8° |
| C9 | C6 | C7 | C8 | 164.9° | 177.1° |
| C9 | C6 | C5 | H4 | 70.4° | 63.1° |
| C9 | C6 | C5 | H5 | 49.0° | 57.1° |
| C9 | C6 | C7 | H6 | 74.8° | 62.9° |
| C9 | C6 | C7 | H7 | 44.6° | 57.2° |
| C6 | C9 | H10 | H11 | 121.6° | 121.1° |
| N1 | C2 | C3 | C1 | 126.7° | 120.1° |
| N1 | C2 | C3 | H21 | 118.3° | 120.0° |
| N1 | C2 | C1 | H21 | 118.3° | 120.0° |
| C2 | N1 | C8 | C7 | 174.0° | 174.1° |
| C2 | N1 | C4 | H1 | 51.1° | 54.1° |
| C2 | N1 | C4 | H2 | 68.8° | 65.9° |
| C2 | N1 | C8 | H8 | 53.4° | 66.0° |
| C2 | N1 | C8 | H9 | 65.4° | 54.1° |
| N1 | C2 | C3 | H15 | 180.0° | 60.0° |
| N1 | C2 | C3 | H16 | 60.0° | 60.0° |
| N1 | C2 | C3 | H17 | 60.0° | 180.0° |
| N1 | C2 | C1 | H18 | 180.0° | 59.9° |
| N1 | C2 | C1 | H19 | 60.0° | 180.0° |
| N1 | C2 | C1 | H20 | 60.0° | 60.0° |
| N1 | C8 | C7 | C6 | 53.2° | 59.1° |
| C8 | N1 | C2 | C3 | 86.9° | 55.7° |
| C8 | N1 | C2 | C1 | 36.7° | 175.8° |
| N1 | C8 | C7 | H8 | 120.6° | 119.9° |
| N1 | C8 | C7 | H9 | 120.7° | 119.9° |
| C8 | N1 | C4 | H1 | 176.4° | 178.2° |
| C8 | N1 | C4 | H2 | 56.5° | 58.3° |
| N1 | C8 | C7 | H6 | 173.5° | 179.0° |
| N1 | C8 | C7 | H7 | 67.1° | 60.9° |
| N1 | C8 | H8 | H9 | 118.0° | 120.0° |
| C8 | N1 | C2 | H21 | 154.7° | 64.2° |
| C6 | O2 | C16 | C15 | 161.7° | 157.7° |
| O2 | C6 | C7 | C8 | 81.1° | 62.9° |
| O2 | C6 | C5 | H4 | 50.1° | 57.0° |
| O2 | C6 | C5 | H5 | 169.5° | 177.1° |
| O2 | C6 | C7 | H6 | 39.2° | 57.0° |
| O2 | C6 | C7 | H7 | 158.6° | 177.1° |
| O2 | C6 | C9 | H10 | 61.1° | 60.6° |
| O2 | C6 | C9 | H11 | 177.8° | 178.4° |
| C7 | C6 | O2 | C16 | 168.3° | 67.0° |
| C6 | C7 | C8 | H6 | 120.3° | 120.0° |
| C6 | C7 | C8 | H7 | 120.3° | 120.0° |
| C7 | C6 | C5 | H4 | 173.6° | 177.4° |
| C7 | C6 | C5 | H5 | 67.0° | 62.5° |
| C6 | C7 | H6 | H7 | 119.1° | 120.1° |
| C6 | C7 | C8 | H8 | 173.9° | 60.8° |
| C6 | C7 | C8 | H9 | 67.4° | 179.0° |
| C7 | C6 | C9 | H10 | 54.2° | 179.2° |
| C7 | C6 | C9 | H11 | 66.9° | 58.2° |
| C3 | C2 | C1 | H21 | 115.2° | 120.0° |
| C2 | C3 | H15 | H16 | 120.0° | 120.0° |
| C2 | C3 | H15 | H17 | 120.0° | 120.0° |
| C2 | C3 | H16 | H17 | 120.0° | 120.0° |
| C3 | C2 | C1 | H18 | 53.5° | 180.0° |
| C3 | C2 | C1 | H19 | 66.5° | 60.0° |
| C3 | C2 | C1 | H20 | 173.5° | 60.0° |
| C1 | C2 | C3 | H15 | 53.3° | 180.0° |
| C1 | C2 | C3 | H16 | 173.3° | 60.0° |
| C1 | C2 | C3 | H17 | 66.8° | 60.0° |
| C2 | C1 | H18 | H19 | 120.0° | 120.1° |
| C2 | C1 | H18 | H20 | 120.0° | 120.0° |
| C2 | C1 | H19 | H20 | 120.0° | 120.0° |
| O2 | C16 | C15 | C14 | 178.7° | 179.7° |
| O2 | C16 | C15 | H22 | 1.2° | 0.2° |
| C16 | C15 | C14 | H22 | 180.0° | 180.0° |
| C16 | C15 | C14 | H3 | 178.9° | 180.0° |
| C8 | C7 | H6 | H7 | 119.1° | 120.1° |
| C7 | C8 | H8 | H9 | 118.0° | 120.1° |
| H1 | C4 | C5 | H4 | 57.1° | 61.0° |
| H1 | C4 | C5 | H5 | 62.2° | 59.1° |
| H2 | C4 | C5 | H4 | 62.8° | 59.0° |
| H2 | C4 | C5 | H5 | 177.9° | 179.0° |
| H3 | C14 | C15 | H22 | 1.0° | 0.0° |
| H6 | C7 | C8 | H8 | 65.8° | 59.1° |
| H6 | C7 | C8 | H9 | 52.9° | 61.0° |
| H7 | C7 | C8 | H8 | 53.6° | 179.2° |
| H7 | C7 | C8 | H9 | 172.3° | 59.1° |
| H15 | C3 | H16 | H17 | 120.0° | 119.9° |
| H15 | C3 | C2 | H21 | 61.6° | 60.0° |
| H16 | C3 | C2 | H21 | 58.3° | 180.0° |
| H17 | C3 | C2 | H21 | 178.3° | 60.0° |
| H18 | C1 | H19 | H20 | 120.0° | 120.0° |
| H18 | C1 | C2 | H21 | 61.7° | 60.1° |
| H19 | C1 | C2 | H21 | 178.2° | 60.0° |
| H20 | C1 | C2 | H21 | 58.3° | 180.0° |
| H23 | C18 | C19 | H24 | 1.0° | 0.0° |
| H25 | C21 | C22 | H26 | 1.6° | 0.5° |
| H27 | C25 | C26 | H28 | 1.0° | 0.0° |
| H28 | C26 | C27 | H29 | 2.5° | 0.1° |
| H29 | C27 | C28 | H30 | 1.2° | 0.3° |
| H30 | C28 | C29 | H31 | 1.5° | 0.5° |
