4LQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C20 | doub | 1.36Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | C14 | sing | 1.41Å | 1.42Å | Aromatic |
| C17 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C21 | doub | 1.41Å | 1.41Å | Aromatic |
| C14 | C11 | sing | 1.42Å | 1.43Å | Aromatic |
| C7 | C11 | sing | 1.41Å | 1.44Å | Aromatic |
| C7 | N8 | sing | 1.40Å | 1.40Å | |
| C21 | C24 | sing | 1.36Å | 1.39Å | Aromatic |
| C11 | C19 | doub | 1.40Å | 1.43Å | Aromatic |
| N8 | C10 | sing | 1.35Å | 1.36Å | |
| O13 | C10 | doub | 1.21Å | 1.22Å | |
| C24 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C15 | sing | 1.51Å | 1.52Å | |
| C19 | C23 | sing | 1.36Å | 1.39Å | Aromatic |
| C15 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | C4 | sing | 1.51Å | 1.49Å | |
| C16 | N5 | sing | 1.46Å | 1.45Å | |
| C16 | C22 | sing | 1.53Å | 1.50Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| C30 | C25 | sing | 1.53Å | 1.53Å | |
| C9 | C25 | sing | 1.53Å | 1.54Å | |
| C9 | C6 | sing | 1.53Å | 1.52Å | |
| C4 | N5 | sing | 1.35Å | 1.37Å | Aromatic |
| C4 | N1 | doub | 1.31Å | 1.31Å | Aromatic |
| N5 | C3 | sing | 1.36Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.53Å | 1.51Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.51Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| N1 | N2 | sing | 1.29Å | 1.36Å | Aromatic |
| C3 | N2 | doub | 1.31Å | 1.33Å | Aromatic |
| C3 | C6 | sing | 1.51Å | 1.49Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| N8 | H9 | sing | 0.97Å | 1.00Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C18 | C17 | 120.3° | 121.1° |
| C18 | C20 | C14 | 119.8° | 119.9° |
| C18 | C20 | H14 | 120.1° | 120.0° |
| C20 | C18 | H15 | 119.8° | 119.4° |
| C18 | C17 | C7 | 120.9° | 120.8° |
| C17 | C18 | H15 | 119.9° | 119.5° |
| C18 | C17 | H16 | 119.6° | 119.6° |
| C20 | C14 | C21 | 120.6° | 121.2° |
| C20 | C14 | C11 | 120.7° | 119.5° |
| C14 | C20 | H14 | 120.1° | 120.0° |
| C17 | C7 | C11 | 120.9° | 119.4° |
| C17 | C7 | N8 | 120.5° | 120.3° |
| C7 | C17 | H16 | 119.5° | 119.6° |
| C21 | C14 | C11 | 118.6° | 119.4° |
| C14 | C21 | C24 | 122.3° | 119.6° |
| C14 | C21 | H13 | 118.8° | 120.2° |
| C14 | C11 | C7 | 117.2° | 119.3° |
| C14 | C11 | C19 | 117.4° | 119.4° |
| C11 | C7 | N8 | 118.5° | 120.3° |
| C7 | C11 | C19 | 125.3° | 121.3° |
| C7 | N8 | C10 | 126.2° | 120.0° |
| C7 | N8 | H9 | 116.8° | 120.0° |
| C21 | C24 | C23 | 119.4° | 121.0° |
| C21 | C24 | H12 | 120.3° | 119.5° |
| C24 | C21 | H13 | 118.8° | 120.2° |
| C11 | C19 | C23 | 122.1° | 119.7° |
| C11 | C19 | H10 | 118.9° | 120.2° |
| N8 | C10 | O13 | 125.5° | 120.0° |
| N8 | C10 | C15 | 114.4° | 120.0° |
| C10 | N8 | H9 | 116.9° | 120.0° |
| O13 | C10 | C15 | 120.0° | 120.0° |
| C24 | C23 | C19 | 120.1° | 120.9° |
| C24 | C23 | H11 | 120.0° | 119.5° |
| C23 | C24 | H12 | 120.3° | 119.5° |
| C10 | C15 | C12 | 111.1° | 109.5° |
| C10 | C15 | H7 | 109.1° | 109.5° |
| C10 | C15 | H8 | 109.1° | 109.5° |
| C23 | C19 | H10 | 118.9° | 120.1° |
| C19 | C23 | H11 | 120.0° | 119.6° |
| C15 | C12 | C4 | 118.4° | 109.5° |
| C15 | C12 | H5 | 107.2° | 109.5° |
| C15 | C12 | H6 | 107.2° | 109.5° |
| C12 | C15 | H7 | 109.1° | 109.5° |
| C12 | C15 | H8 | 109.1° | 109.5° |
| C12 | C4 | N5 | 125.2° | 126.4° |
| C12 | C4 | N1 | 124.8° | 126.3° |
| C4 | C12 | H5 | 107.2° | 109.5° |
| C4 | C12 | H6 | 107.2° | 109.5° |
| N5 | C16 | C22 | 110.4° | 109.5° |
| C16 | N5 | C4 | 125.9° | 127.0° |
| C16 | N5 | C3 | 130.1° | 127.0° |
| N5 | C16 | H17 | 109.2° | 109.5° |
| N5 | C16 | H18 | 109.2° | 109.5° |
| C22 | C16 | H17 | 109.2° | 109.4° |
| C22 | C16 | H18 | 109.2° | 109.4° |
| C16 | C22 | H19 | 109.5° | 109.4° |
| C16 | C22 | H20 | 109.5° | 109.4° |
| C16 | C22 | H21 | 109.5° | 109.4° |
| C29 | C30 | C25 | 108.2° | 109.5° |
| C30 | C29 | C28 | 108.2° | 109.5° |
| C29 | C30 | H23 | 109.8° | 109.5° |
| C29 | C30 | H24 | 109.8° | 109.4° |
| C30 | C29 | H25 | 109.8° | 109.4° |
| C30 | C29 | H26 | 109.8° | 109.5° |
| C30 | C25 | C9 | 114.0° | 109.4° |
| C30 | C25 | C26 | 104.1° | 109.5° |
| C30 | C25 | H22 | 109.3° | 109.4° |
| C25 | C30 | H23 | 109.8° | 109.5° |
| C25 | C30 | H24 | 109.8° | 109.5° |
| C25 | C9 | C6 | 111.4° | 109.5° |
| C9 | C25 | C26 | 110.3° | 109.5° |
| C25 | C9 | H3 | 109.0° | 109.5° |
| C25 | C9 | H4 | 109.0° | 109.5° |
| C9 | C25 | H22 | 109.3° | 109.5° |
| C9 | C6 | C3 | 117.4° | 109.5° |
| C9 | C6 | H1 | 107.4° | 109.4° |
| C9 | C6 | H2 | 107.5° | 109.5° |
| C6 | C9 | H3 | 109.0° | 109.4° |
| C6 | C9 | H4 | 109.0° | 109.5° |
| N5 | C4 | N1 | 110.0° | 107.3° |
| C4 | N5 | C3 | 104.0° | 106.1° |
| C4 | N1 | N2 | 109.1° | 109.7° |
| N5 | C3 | N2 | 110.6° | 107.3° |
| N5 | C3 | C6 | 128.2° | 126.4° |
| C25 | C26 | C27 | 108.6° | 109.5° |
| C26 | C25 | H22 | 109.6° | 109.5° |
| C25 | C26 | H31 | 109.7° | 109.5° |
| C25 | C26 | H32 | 109.7° | 109.4° |
| C26 | C27 | C28 | 110.1° | 109.4° |
| C26 | C27 | H29 | 109.3° | 109.5° |
| C26 | C27 | H30 | 109.3° | 109.5° |
| C27 | C26 | H31 | 109.7° | 109.5° |
| C27 | C26 | H32 | 109.7° | 109.5° |
| C29 | C28 | C27 | 110.6° | 109.5° |
| C28 | C29 | H25 | 109.8° | 109.5° |
| C28 | C29 | H26 | 109.8° | 109.5° |
| C29 | C28 | H27 | 109.1° | 109.5° |
| C29 | C28 | H28 | 109.2° | 109.5° |
| C27 | C28 | H27 | 109.2° | 109.5° |
| C27 | C28 | H28 | 109.2° | 109.5° |
| C28 | C27 | H29 | 109.3° | 109.4° |
| C28 | C27 | H30 | 109.3° | 109.5° |
| N1 | N2 | C3 | 106.2° | 109.7° |
| N2 | C3 | C6 | 121.1° | 126.3° |
| C3 | C6 | H1 | 107.5° | 109.4° |
| C3 | C6 | H2 | 107.4° | 109.5° |
| H1 | C6 | H2 | 109.5° | 109.5° |
| H3 | C9 | H4 | 109.5° | 109.4° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H7 | C15 | H8 | 109.5° | 109.5° |
| H17 | C16 | H18 | 109.5° | 109.4° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H19 | C22 | H21 | 109.4° | 109.5° |
| H20 | C22 | H21 | 109.5° | 109.5° |
| H23 | C30 | H24 | 109.5° | 109.5° |
| H25 | C29 | H26 | 109.5° | 109.5° |
| H27 | C28 | H28 | 109.5° | 109.4° |
| H29 | C27 | H30 | 109.4° | 109.5° |
| H31 | C26 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C18 | C17 | H15 | 180.0° | 179.6° |
| C18 | C20 | C14 | H14 | 180.0° | 180.0° |
| C20 | C18 | C17 | C7 | 2.5° | 0.6° |
| C18 | C20 | C14 | C21 | 179.6° | 180.0° |
| C18 | C20 | C14 | C11 | 0.6° | 0.0° |
| C20 | C18 | C17 | H16 | 177.5° | 180.0° |
| C17 | C18 | C20 | C14 | 1.8° | 0.4° |
| C18 | C17 | C7 | H16 | 180.0° | 179.4° |
| C18 | C17 | C7 | C11 | 0.7° | 0.5° |
| C18 | C17 | C7 | N8 | 175.8° | 179.7° |
| C17 | C18 | C20 | H14 | 178.2° | 179.7° |
| C20 | C14 | C21 | C11 | 179.0° | 180.0° |
| C20 | C14 | C11 | C7 | 2.3° | 0.1° |
| C20 | C14 | C21 | C24 | 177.3° | 180.0° |
| C20 | C14 | C11 | C19 | 178.5° | 180.0° |
| C20 | C14 | C21 | H13 | 2.7° | 0.0° |
| C14 | C20 | C18 | H15 | 178.2° | 180.0° |
| C17 | C7 | C11 | C14 | 1.6° | 0.2° |
| C17 | C7 | C11 | N8 | 176.6° | 179.8° |
| C17 | C7 | C11 | C19 | 179.2° | 179.8° |
| C17 | C7 | N8 | C10 | 55.4° | 34.8° |
| C17 | C7 | N8 | H9 | 124.6° | 145.2° |
| C7 | C17 | C18 | H15 | 177.5° | 179.8° |
| C21 | C14 | C11 | C7 | 178.7° | 179.9° |
| C14 | C21 | C24 | H13 | 180.0° | 180.0° |
| C21 | C14 | C11 | C19 | 0.5° | 0.0° |
| C14 | C21 | C24 | C23 | 1.5° | 0.0° |
| C14 | C21 | C24 | H12 | 178.5° | 180.0° |
| C21 | C14 | C20 | H14 | 0.4° | 0.0° |
| C14 | C11 | C7 | C19 | 179.1° | 179.9° |
| C14 | C11 | C7 | N8 | 178.2° | 180.0° |
| C11 | C14 | C21 | C24 | 1.6° | 0.0° |
| C14 | C11 | C19 | C23 | 0.8° | 0.0° |
| C14 | C11 | C19 | H10 | 179.2° | 179.9° |
| C11 | C14 | C21 | H13 | 178.4° | 180.0° |
| C11 | C14 | C20 | H14 | 179.4° | 180.0° |
| C11 | C7 | N8 | C10 | 121.1° | 145.0° |
| C7 | C11 | C19 | C23 | 180.0° | 180.0° |
| C11 | C7 | N8 | H9 | 58.9° | 34.9° |
| C7 | C11 | C19 | H10 | 0.0° | 0.0° |
| C11 | C7 | C17 | H16 | 179.3° | 179.9° |
| N8 | C7 | C11 | C19 | 2.6° | 0.1° |
| C7 | N8 | C10 | H9 | 180.0° | 179.9° |
| C7 | N8 | C10 | O13 | 7.6° | 4.6° |
| C7 | N8 | C10 | C15 | 175.0° | 175.4° |
| N8 | C7 | C17 | H16 | 4.2° | 0.3° |
| C21 | C24 | C23 | H12 | 180.0° | 180.0° |
| C21 | C24 | C23 | C19 | 0.2° | 0.0° |
| C21 | C24 | C23 | H11 | 179.8° | 180.0° |
| C11 | C19 | C23 | C24 | 1.0° | 0.0° |
| C11 | C19 | C23 | H10 | 180.0° | 180.0° |
| C11 | C19 | C23 | H11 | 179.0° | 180.0° |
| N8 | C10 | O13 | C15 | 177.2° | 180.0° |
| N8 | C10 | C15 | C12 | 112.0° | 180.0° |
| N8 | C10 | C15 | H7 | 8.2° | 60.0° |
| N8 | C10 | C15 | H8 | 127.7° | 60.0° |
| O13 | C10 | C15 | C12 | 70.4° | 0.0° |
| O13 | C10 | C15 | H7 | 169.3° | 120.0° |
| O13 | C10 | C15 | H8 | 49.8° | 120.0° |
| O13 | C10 | N8 | H9 | 172.4° | 175.5° |
| C24 | C23 | C19 | H11 | 180.0° | 180.0° |
| C24 | C23 | C19 | H10 | 179.0° | 179.9° |
| C23 | C24 | C21 | H13 | 178.5° | 180.0° |
| C10 | C15 | C12 | H7 | 120.2° | 120.0° |
| C10 | C15 | C12 | H8 | 120.2° | 120.0° |
| C10 | C15 | C12 | C4 | 53.9° | 180.0° |
| C10 | C15 | C12 | H5 | 175.2° | 60.0° |
| C10 | C15 | C12 | H6 | 67.3° | 60.0° |
| C10 | C15 | H7 | H8 | 119.3° | 120.0° |
| C15 | C10 | N8 | H9 | 5.0° | 4.5° |
| C19 | C23 | C24 | H12 | 179.8° | 180.0° |
| C15 | C12 | C4 | H5 | 121.3° | 120.1° |
| C15 | C12 | C4 | H6 | 121.3° | 120.0° |
| C15 | C12 | C4 | N5 | 100.0° | 90.0° |
| C15 | C12 | C4 | N1 | 82.4° | 89.7° |
| C15 | C12 | H5 | H6 | 116.0° | 120.0° |
| C12 | C15 | H7 | H8 | 119.3° | 120.1° |
| C12 | C4 | N5 | C16 | 1.7° | 0.3° |
| C12 | C4 | N5 | N1 | 177.9° | 179.7° |
| C12 | C4 | N5 | C3 | 179.7° | 180.0° |
| C12 | C4 | N1 | N2 | 179.4° | 179.8° |
| C4 | C12 | H5 | H6 | 116.0° | 120.0° |
| C4 | C12 | C15 | H7 | 66.3° | 60.0° |
| C4 | C12 | C15 | H8 | 174.2° | 60.0° |
| N5 | C16 | C22 | H17 | 120.1° | 120.1° |
| N5 | C16 | C22 | H18 | 120.2° | 120.0° |
| C16 | N5 | C4 | C3 | 178.6° | 179.7° |
| C16 | N5 | C4 | N1 | 176.2° | 180.0° |
| C16 | N5 | C3 | N2 | 177.2° | 179.7° |
| C16 | N5 | C3 | C6 | 0.2° | 0.1° |
| N5 | C16 | H17 | H18 | 119.6° | 120.0° |
| N5 | C16 | C22 | H19 | 180.0° | 60.0° |
| N5 | C16 | C22 | H20 | 60.0° | 180.0° |
| N5 | C16 | C22 | H21 | 60.0° | 60.0° |
| C22 | C16 | N5 | C4 | 103.2° | 89.9° |
| C22 | C16 | N5 | C3 | 75.1° | 89.6° |
| C22 | C16 | H17 | H18 | 119.6° | 119.9° |
| C16 | C22 | H19 | H20 | 120.0° | 120.0° |
| C16 | C22 | H19 | H21 | 120.0° | 119.9° |
| C16 | C22 | H20 | H21 | 120.0° | 119.9° |
| C29 | C30 | C25 | H23 | 119.8° | 120.0° |
| C29 | C30 | C25 | H24 | 119.8° | 119.9° |
| C29 | C30 | C25 | C9 | 170.9° | 180.0° |
| C29 | C30 | C25 | C26 | 68.8° | 60.0° |
| C30 | C29 | C28 | H25 | 119.8° | 120.0° |
| C30 | C29 | C28 | H26 | 119.8° | 120.0° |
| C30 | C29 | C28 | C27 | 57.0° | 60.0° |
| C29 | C30 | C25 | H22 | 48.2° | 60.0° |
| C29 | C30 | H23 | H24 | 120.6° | 120.0° |
| C30 | C29 | H25 | H26 | 120.6° | 120.0° |
| C30 | C29 | C28 | H27 | 177.2° | 180.0° |
| C30 | C29 | C28 | H28 | 63.1° | 60.0° |
| C30 | C25 | C9 | C26 | 116.7° | 120.0° |
| C30 | C25 | C9 | H22 | 122.7° | 119.9° |
| C30 | C25 | C9 | C6 | 151.6° | 175.0° |
| C30 | C25 | C26 | H22 | 116.9° | 120.0° |
| C30 | C25 | C26 | C27 | 66.6° | 60.0° |
| C25 | C30 | C29 | C28 | 64.5° | 60.0° |
| C30 | C25 | C9 | H3 | 88.1° | 55.0° |
| C30 | C25 | C9 | H4 | 31.4° | 65.0° |
| C25 | C30 | H23 | H24 | 120.6° | 120.0° |
| C25 | C30 | C29 | H25 | 55.3° | 60.0° |
| C25 | C30 | C29 | H26 | 175.7° | 180.0° |
| C30 | C25 | C26 | H31 | 53.2° | 60.0° |
| C30 | C25 | C26 | H32 | 173.5° | 180.0° |
| C25 | C9 | C6 | H3 | 120.3° | 120.0° |
| C25 | C9 | C6 | H4 | 120.3° | 120.0° |
| C9 | C25 | C26 | H22 | 120.4° | 120.1° |
| C9 | C25 | C26 | C27 | 170.6° | 180.0° |
| C25 | C9 | C6 | C3 | 161.6° | 180.0° |
| C25 | C9 | C6 | H1 | 77.3° | 60.0° |
| C25 | C9 | C6 | H2 | 40.5° | 60.0° |
| C25 | C9 | H3 | H4 | 119.1° | 120.0° |
| C9 | C25 | C30 | H23 | 69.3° | 60.0° |
| C9 | C25 | C30 | H24 | 51.1° | 60.0° |
| C9 | C25 | C26 | H31 | 69.5° | 60.0° |
| C9 | C25 | C26 | H32 | 50.8° | 60.0° |
| C9 | C6 | C3 | N5 | 62.1° | 90.2° |
| C6 | C9 | C25 | C26 | 91.6° | 65.1° |
| C9 | C6 | C3 | N2 | 120.7° | 90.0° |
| C9 | C6 | C3 | H1 | 121.1° | 119.9° |
| C9 | C6 | C3 | H2 | 121.1° | 120.0° |
| C9 | C6 | H1 | H2 | 116.4° | 120.0° |
| C6 | C9 | H3 | H4 | 119.2° | 120.0° |
| C6 | C9 | C25 | H22 | 29.0° | 55.0° |
| N5 | C4 | N1 | N2 | 2.7° | 0.5° |
| C4 | N5 | C3 | N2 | 1.3° | 0.0° |
| C4 | N5 | C3 | C6 | 178.8° | 179.8° |
| N5 | C4 | C12 | H5 | 138.7° | 150.0° |
| N5 | C4 | C12 | H6 | 21.3° | 30.0° |
| C4 | N5 | C16 | H17 | 17.0° | 150.0° |
| C4 | N5 | C16 | H18 | 136.7° | 30.1° |
| N1 | C4 | N5 | C3 | 2.4° | 0.3° |
| C4 | N1 | N2 | C3 | 1.8° | 0.4° |
| N1 | C4 | C12 | H5 | 38.9° | 30.3° |
| N1 | C4 | C12 | H6 | 156.3° | 150.3° |
| N5 | C3 | N2 | N1 | 0.2° | 0.2° |
| N5 | C3 | N2 | C6 | 177.7° | 179.8° |
| N5 | C3 | C6 | H1 | 59.0° | 29.7° |
| N5 | C3 | C6 | H2 | 176.8° | 149.8° |
| C3 | N5 | C16 | H17 | 164.8° | 30.4° |
| C3 | N5 | C16 | H18 | 45.1° | 150.4° |
| C25 | C26 | C27 | H31 | 119.9° | 120.0° |
| C25 | C26 | C27 | H32 | 119.8° | 119.9° |
| C25 | C26 | C27 | C28 | 61.5° | 60.0° |
| C26 | C25 | C9 | H3 | 28.7° | 174.9° |
| C26 | C25 | C9 | H4 | 148.1° | 54.9° |
| C26 | C25 | C30 | H23 | 50.9° | 180.0° |
| C26 | C25 | C30 | H24 | 171.4° | 59.9° |
| C25 | C26 | C27 | H29 | 178.4° | 59.9° |
| C25 | C26 | C27 | H30 | 58.6° | 180.0° |
| C25 | C26 | H31 | H32 | 120.4° | 120.0° |
| C26 | C27 | C28 | C29 | 55.8° | 60.0° |
| C26 | C27 | C28 | H29 | 120.1° | 120.0° |
| C26 | C27 | C28 | H30 | 120.1° | 120.0° |
| C27 | C26 | C25 | H22 | 50.2° | 59.9° |
| C26 | C27 | C28 | H27 | 175.9° | 180.0° |
| C26 | C27 | C28 | H28 | 64.4° | 60.0° |
| C26 | C27 | H29 | H30 | 119.7° | 120.0° |
| C27 | C26 | H31 | H32 | 120.4° | 120.0° |
| C29 | C28 | C27 | H27 | 120.1° | 120.0° |
| C29 | C28 | C27 | H28 | 120.2° | 120.0° |
| C28 | C29 | C30 | H23 | 55.3° | 180.0° |
| C28 | C29 | C30 | H24 | 175.7° | 60.0° |
| C28 | C29 | H25 | H26 | 120.6° | 120.0° |
| C29 | C28 | H27 | H28 | 119.5° | 120.0° |
| C29 | C28 | C27 | H29 | 175.9° | 60.0° |
| C29 | C28 | C27 | H30 | 64.3° | 180.0° |
| C27 | C28 | C29 | H25 | 62.8° | 60.0° |
| C27 | C28 | C29 | H26 | 176.8° | 180.0° |
| C27 | C28 | H27 | H28 | 119.5° | 120.0° |
| C28 | C27 | H29 | H30 | 119.7° | 120.0° |
| C28 | C27 | C26 | H31 | 58.4° | 60.0° |
| C28 | C27 | C26 | H32 | 178.7° | 180.0° |
| N1 | N2 | C3 | C6 | 177.4° | 180.0° |
| N2 | C3 | C6 | H1 | 118.2° | 150.0° |
| N2 | C3 | C6 | H2 | 0.5° | 30.0° |
| C3 | C6 | H1 | H2 | 116.4° | 120.0° |
| C3 | C6 | C9 | H3 | 41.3° | 60.0° |
| C3 | C6 | C9 | H4 | 78.2° | 60.0° |
| H1 | C6 | C9 | H3 | 162.4° | 179.9° |
| H1 | C6 | C9 | H4 | 43.0° | 60.0° |
| H2 | C6 | C9 | H3 | 79.8° | 60.1° |
| H2 | C6 | C9 | H4 | 160.7° | NaN° |
| H3 | C9 | C25 | H22 | 149.3° | 65.0° |
| H4 | C9 | C25 | H22 | 91.3° | 175.0° |
| H5 | C12 | C15 | H7 | 55.0° | 60.0° |
| H5 | C12 | C15 | H8 | 64.6° | 180.0° |
| H6 | C12 | C15 | H7 | 172.4° | 180.0° |
| H6 | C12 | C15 | H8 | 52.9° | 60.0° |
| H10 | C19 | C23 | H11 | 1.0° | 0.0° |
| H11 | C23 | C24 | H12 | 0.2° | 0.0° |
| H12 | C24 | C21 | H13 | 1.5° | 0.0° |
| H14 | C20 | C18 | H15 | 1.8° | 0.0° |
| H15 | C18 | C17 | H16 | 2.5° | 0.4° |
| H17 | C16 | C22 | H19 | 59.8° | 60.0° |
| H17 | C16 | C22 | H20 | 179.9° | 60.0° |
| H17 | C16 | C22 | H21 | 60.1° | 180.0° |
| H18 | C16 | C22 | H19 | 59.9° | 180.0° |
| H18 | C16 | C22 | H20 | 60.2° | 59.9° |
| H18 | C16 | C22 | H21 | 179.8° | 60.1° |
| H19 | C22 | H20 | H21 | 120.0° | 120.1° |
| H22 | C25 | C30 | H23 | 168.0° | 60.0° |
| H22 | C25 | C30 | H24 | 71.6° | 180.0° |
| H22 | C25 | C26 | H31 | 170.1° | 180.0° |
| H22 | C25 | C26 | H32 | 69.6° | 60.0° |
| H23 | C30 | C29 | H25 | 175.1° | 60.0° |
| H23 | C30 | C29 | H26 | 64.5° | 60.0° |
| H24 | C30 | C29 | H25 | 64.5° | 180.0° |
| H24 | C30 | C29 | H26 | 55.9° | 60.0° |
| H25 | C29 | C28 | H27 | 57.4° | 60.0° |
| H25 | C29 | C28 | H28 | 177.0° | 180.0° |
| H26 | C29 | C28 | H27 | 63.0° | 60.0° |
| H26 | C29 | C28 | H28 | 56.7° | 60.0° |
| H27 | C28 | C27 | H29 | 64.0° | 60.0° |
| H27 | C28 | C27 | H30 | 55.8° | 60.0° |
| H28 | C28 | C27 | H29 | 55.7° | 180.0° |
| H28 | C28 | C27 | H30 | 175.5° | 60.0° |
| H29 | C27 | C26 | H31 | 61.7° | 179.9° |
| H29 | C27 | C26 | H32 | 58.6° | 60.0° |
| H30 | C27 | C26 | H31 | 178.5° | 60.0° |
| H30 | C27 | C26 | H32 | 61.2° | 60.0° |
