XJ5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C11 | sing | 1.51Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| O1 | C1 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | C21 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C1 | C9 | sing | 1.51Å | 1.53Å | |
| C1 | N1 | sing | 1.35Å | 1.37Å | |
| C7 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C8 | sing | 1.53Å | 1.54Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| C9 | C14 | sing | 1.53Å | 1.54Å | |
| C9 | C32 | sing | 1.53Å | 1.54Å | |
| C8 | N1 | sing | 1.47Å | 1.47Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C23 | sing | 1.53Å | 1.53Å | |
| N1 | C2 | sing | 1.47Å | 1.47Å | |
| C4 | N2 | sing | 1.47Å | 1.47Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C32 | C22 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | C24 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C4 | H26 | sing | 1.09Å | 1.10Å | |
| C6 | H27 | sing | 1.09Å | 1.10Å | |
| C6 | H28 | sing | 1.09Å | 1.10Å | |
| C6 | H29 | sing | 1.09Å | 1.10Å | |
| C7 | H30 | sing | 1.09Å | 1.10Å | |
| C7 | H31 | sing | 1.09Å | 1.10Å | |
| C7 | H32 | sing | 1.09Å | 1.10Å | |
| C8 | H33 | sing | 1.09Å | 1.10Å | |
| C8 | H34 | sing | 1.09Å | 1.10Å | |
| N2 | H35 | sing | 1.01Å | 1.00Å | |
| N2 | H36 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C16 | 120.1° | 120.0° |
| C17 | C18 | C19 | 119.7° | 120.0° |
| C18 | C17 | H9 | 120.0° | 120.0° |
| C17 | C18 | H10 | 120.2° | 120.0° |
| C17 | C16 | C15 | 121.4° | 120.0° |
| C17 | C16 | H8 | 119.3° | 120.1° |
| C16 | C17 | H9 | 119.9° | 120.0° |
| C18 | C19 | C20 | 120.3° | 120.0° |
| C19 | C18 | H10 | 120.2° | 120.0° |
| C18 | C19 | H11 | 119.8° | 120.0° |
| C16 | C15 | C20 | 117.2° | 120.0° |
| C16 | C15 | C11 | 121.5° | 120.0° |
| C15 | C16 | H8 | 119.3° | 119.9° |
| C19 | C20 | C15 | 121.3° | 120.0° |
| C20 | C19 | H11 | 119.9° | 120.1° |
| C19 | C20 | H14 | 119.4° | 120.0° |
| C20 | C15 | C11 | 121.3° | 120.0° |
| C15 | C20 | H14 | 119.3° | 120.0° |
| C15 | C11 | C10 | 110.9° | 109.5° |
| C15 | C11 | C12 | 110.3° | 109.5° |
| C15 | C11 | C21 | 110.7° | 109.4° |
| C6 | C5 | C7 | 108.9° | 109.6° |
| C6 | C5 | C8 | 110.0° | 109.5° |
| C6 | C5 | C4 | 109.7° | 109.5° |
| C5 | C6 | H27 | 109.5° | 109.5° |
| C5 | C6 | H28 | 109.5° | 109.5° |
| C5 | C6 | H29 | 109.4° | 109.5° |
| O1 | C1 | C9 | 119.0° | 120.0° |
| O1 | C1 | N1 | 120.2° | 120.0° |
| C11 | C10 | C9 | 111.2° | 109.5° |
| C10 | C11 | C12 | 108.1° | 109.5° |
| C10 | C11 | C21 | 108.4° | 109.5° |
| C11 | C10 | H1 | 109.1° | 109.4° |
| C11 | C10 | H2 | 109.1° | 109.4° |
| C10 | C9 | C1 | 108.7° | 109.5° |
| C10 | C9 | C14 | 108.9° | 109.4° |
| C10 | C9 | C32 | 109.0° | 109.5° |
| C9 | C10 | H1 | 109.0° | 109.5° |
| C9 | C10 | H2 | 109.0° | 109.5° |
| C12 | C11 | C21 | 108.5° | 109.5° |
| C11 | C12 | C13 | 110.7° | 109.4° |
| C11 | C12 | H3 | 109.2° | 109.5° |
| C11 | C12 | H4 | 109.2° | 109.4° |
| C11 | C21 | C22 | 111.2° | 109.4° |
| C11 | C21 | H15 | 109.0° | 109.5° |
| C11 | C21 | H16 | 109.1° | 109.5° |
| C12 | C13 | C14 | 109.6° | 109.5° |
| C12 | C13 | C23 | 109.2° | 109.4° |
| C13 | C12 | H3 | 109.1° | 109.5° |
| C13 | C12 | H4 | 109.1° | 109.5° |
| C12 | C13 | H5 | 109.5° | 109.4° |
| C9 | C1 | N1 | 120.9° | 120.0° |
| C1 | C9 | C14 | 110.6° | 109.5° |
| C1 | C9 | C32 | 110.4° | 109.5° |
| C1 | N1 | C8 | 119.3° | 120.6° |
| C1 | N1 | C2 | 121.6° | 120.6° |
| C7 | C5 | C8 | 109.4° | 109.5° |
| C7 | C5 | C4 | 109.6° | 109.5° |
| C5 | C7 | H30 | 109.5° | 109.5° |
| C5 | C7 | H31 | 109.5° | 109.5° |
| C5 | C7 | H32 | 109.5° | 109.5° |
| C8 | C5 | C4 | 109.3° | 109.3° |
| C5 | C8 | N1 | 110.1° | 108.8° |
| C5 | C8 | H33 | 109.3° | 109.6° |
| C5 | C8 | H34 | 109.3° | 109.6° |
| C5 | C4 | N2 | 112.4° | 109.5° |
| C5 | C4 | C3 | 111.2° | 109.5° |
| C5 | C4 | H26 | 106.7° | 109.5° |
| C14 | C9 | C32 | 109.2° | 109.5° |
| C9 | C14 | C13 | 109.5° | 109.5° |
| C9 | C14 | H6 | 109.5° | 109.4° |
| C9 | C14 | H7 | 109.5° | 109.5° |
| C9 | C32 | C22 | 110.5° | 109.5° |
| C9 | C32 | H24 | 109.2° | 109.4° |
| C9 | C32 | H25 | 109.2° | 109.5° |
| C8 | N1 | C2 | 112.5° | 118.7° |
| N1 | C8 | H33 | 109.3° | 109.6° |
| N1 | C8 | H34 | 109.3° | 109.6° |
| C21 | C22 | C32 | 108.9° | 109.5° |
| C21 | C22 | C23 | 109.0° | 109.5° |
| C21 | C22 | C24 | 109.9° | 109.5° |
| C22 | C21 | H15 | 109.1° | 109.5° |
| C22 | C21 | H16 | 109.0° | 109.4° |
| C14 | C13 | C23 | 109.6° | 109.5° |
| C14 | C13 | H5 | 109.5° | 109.5° |
| C13 | C14 | H6 | 109.5° | 109.4° |
| C13 | C14 | H7 | 109.5° | 109.5° |
| C13 | C23 | C22 | 110.5° | 109.5° |
| C23 | C13 | H5 | 109.5° | 109.5° |
| C13 | C23 | H17 | 109.2° | 109.5° |
| C13 | C23 | H18 | 109.2° | 109.5° |
| N1 | C2 | C3 | 111.4° | 108.7° |
| N1 | C2 | H12 | 109.0° | 109.6° |
| N1 | C2 | H13 | 109.0° | 109.7° |
| N2 | C4 | C3 | 111.5° | 109.4° |
| N2 | C4 | H26 | 107.7° | 109.5° |
| C4 | N2 | H35 | 109.5° | 111.0° |
| C4 | N2 | H36 | 109.4° | 111.0° |
| C4 | C3 | C2 | 111.0° | 109.3° |
| C4 | C3 | H22 | 109.1° | 109.5° |
| C4 | C3 | H23 | 109.1° | 109.5° |
| C3 | C4 | H26 | 107.0° | 109.4° |
| C32 | C22 | C23 | 108.5° | 109.5° |
| C32 | C22 | C24 | 110.5° | 109.4° |
| C22 | C32 | H24 | 109.2° | 109.5° |
| C22 | C32 | H25 | 109.2° | 109.5° |
| C23 | C22 | C24 | 109.9° | 109.5° |
| C22 | C23 | H17 | 109.2° | 109.5° |
| C22 | C23 | H18 | 109.2° | 109.5° |
| C22 | C24 | H19 | 109.5° | 109.5° |
| C22 | C24 | H20 | 109.5° | 109.5° |
| C22 | C24 | H21 | 109.5° | 109.5° |
| C3 | C2 | H12 | 109.0° | 109.6° |
| C3 | C2 | H13 | 109.0° | 109.6° |
| C2 | C3 | H22 | 109.1° | 109.5° |
| C2 | C3 | H23 | 109.1° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C12 | H4 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.5° | 109.4° |
| H12 | C2 | H13 | 109.4° | 109.6° |
| H15 | C21 | H16 | 109.5° | 109.5° |
| H17 | C23 | H18 | 109.5° | 109.4° |
| H19 | C24 | H20 | 109.5° | 109.4° |
| H19 | C24 | H21 | 109.4° | 109.5° |
| H20 | C24 | H21 | 109.5° | 109.4° |
| H22 | C3 | H23 | 109.5° | 109.5° |
| H24 | C32 | H25 | 109.5° | 109.5° |
| H27 | C6 | H28 | 109.4° | 109.4° |
| H27 | C6 | H29 | 109.5° | 109.5° |
| H28 | C6 | H29 | 109.5° | 109.5° |
| H30 | C7 | H31 | 109.5° | 109.5° |
| H30 | C7 | H32 | 109.4° | 109.5° |
| H31 | C7 | H32 | 109.5° | 109.5° |
| H33 | C8 | H34 | 109.5° | 109.7° |
| H35 | N2 | H36 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C16 | H9 | 180.0° | 180.0° |
| C17 | C18 | C19 | H10 | 180.0° | 179.8° |
| C18 | C17 | C16 | C15 | 0.1° | 0.1° |
| C17 | C18 | C19 | C20 | 0.1° | 0.1° |
| C18 | C17 | C16 | H8 | 179.9° | 179.9° |
| C17 | C18 | C19 | H11 | 179.9° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.1° |
| C17 | C16 | C15 | H8 | 180.0° | 180.0° |
| C17 | C16 | C15 | C20 | 0.2° | 0.1° |
| C17 | C16 | C15 | C11 | 179.7° | 179.7° |
| C16 | C17 | C18 | H10 | 180.0° | 179.9° |
| C18 | C19 | C20 | H11 | 180.0° | 179.9° |
| C18 | C19 | C20 | C15 | 0.0° | 0.1° |
| C19 | C18 | C17 | H9 | 179.9° | 180.0° |
| C18 | C19 | C20 | H14 | 180.0° | 179.8° |
| C16 | C15 | C20 | C19 | 0.2° | 0.1° |
| C16 | C15 | C20 | C11 | 179.5° | 179.7° |
| C16 | C15 | C11 | C10 | 34.6° | 0.3° |
| C16 | C15 | C11 | C12 | 85.0° | 119.8° |
| C16 | C15 | C11 | C21 | 155.0° | 120.3° |
| C15 | C16 | C17 | H9 | 179.9° | 180.0° |
| C16 | C15 | C20 | H14 | 179.8° | 179.8° |
| C19 | C20 | C15 | H14 | 180.0° | 179.8° |
| C19 | C20 | C15 | C11 | 179.7° | 179.7° |
| C20 | C19 | C18 | H10 | 179.9° | 179.9° |
| C20 | C15 | C11 | C10 | 145.9° | 179.9° |
| C20 | C15 | C11 | C12 | 94.5° | 59.9° |
| C20 | C15 | C11 | C21 | 25.5° | 60.1° |
| C20 | C15 | C16 | H8 | 179.8° | 179.9° |
| C15 | C20 | C19 | H11 | 180.0° | 180.0° |
| C15 | C11 | C10 | C12 | 120.9° | 120.0° |
| C15 | C11 | C10 | C21 | 121.7° | 120.0° |
| C15 | C11 | C10 | C9 | 179.8° | 179.9° |
| C15 | C11 | C12 | C21 | 121.3° | 119.9° |
| C15 | C11 | C12 | C13 | 180.0° | 180.0° |
| C15 | C11 | C21 | C22 | 179.5° | 180.0° |
| C15 | C11 | C10 | H1 | 59.6° | 60.0° |
| C15 | C11 | C10 | H2 | 59.9° | 60.0° |
| C15 | C11 | C12 | H3 | 59.9° | 60.0° |
| C15 | C11 | C12 | H4 | 59.8° | 60.0° |
| C11 | C15 | C16 | H8 | 0.3° | 0.3° |
| C11 | C15 | C20 | H14 | 0.3° | 0.1° |
| C15 | C11 | C21 | H15 | 60.3° | 60.0° |
| C15 | C11 | C21 | H16 | 59.2° | 60.0° |
| C6 | C5 | C7 | C8 | 120.3° | 120.1° |
| C6 | C5 | C7 | C4 | 119.9° | 120.1° |
| C6 | C5 | C8 | C4 | 120.5° | 119.9° |
| C6 | C5 | C8 | N1 | 75.8° | 174.6° |
| C6 | C5 | C4 | N2 | 96.9° | 58.7° |
| C6 | C5 | C4 | C3 | 137.3° | 178.7° |
| C6 | C5 | C4 | H26 | 20.9° | 61.3° |
| C5 | C6 | H27 | H28 | 120.0° | 120.0° |
| C5 | C6 | H27 | H29 | 120.0° | 120.0° |
| C5 | C6 | H28 | H29 | 120.0° | 120.1° |
| C6 | C5 | C7 | H30 | 180.0° | 179.9° |
| C6 | C5 | C7 | H31 | 60.0° | 59.9° |
| C6 | C5 | C7 | H32 | 60.0° | 60.1° |
| C6 | C5 | C8 | H33 | 164.1° | 65.7° |
| C6 | C5 | C8 | H34 | 44.3° | 54.7° |
| O1 | C1 | C9 | C10 | 2.4° | 118.0° |
| O1 | C1 | C9 | N1 | 179.9° | 179.7° |
| O1 | C1 | C9 | C14 | 121.9° | 122.1° |
| O1 | C1 | C9 | C32 | 117.2° | 2.1° |
| O1 | C1 | N1 | C8 | 34.8° | 5.3° |
| O1 | C1 | N1 | C2 | 175.6° | 174.6° |
| C11 | C10 | C9 | H1 | 120.3° | 120.0° |
| C11 | C10 | C9 | H2 | 120.3° | 119.9° |
| C10 | C11 | C12 | C21 | 117.3° | 120.0° |
| C10 | C11 | C12 | C13 | 58.6° | 60.0° |
| C11 | C10 | C9 | C1 | 179.4° | 180.0° |
| C11 | C10 | C9 | C14 | 60.0° | 60.0° |
| C11 | C10 | C9 | C32 | 59.1° | 59.9° |
| C10 | C11 | C21 | C22 | 58.7° | 60.0° |
| C11 | C10 | H1 | H2 | 119.2° | 120.0° |
| C10 | C11 | C12 | H3 | 178.8° | 180.0° |
| C10 | C11 | C12 | H4 | 61.5° | 60.0° |
| C10 | C11 | C21 | H15 | 61.5° | 60.0° |
| C10 | C11 | C21 | H16 | 179.0° | 180.0° |
| C9 | C10 | C11 | C12 | 58.9° | 60.0° |
| C9 | C10 | C11 | C21 | 58.5° | 60.0° |
| C10 | C9 | C1 | C14 | 119.5° | 119.9° |
| C10 | C9 | C1 | C32 | 119.5° | 120.1° |
| C10 | C9 | C1 | N1 | 177.5° | 61.7° |
| C10 | C9 | C14 | C32 | 118.9° | 120.0° |
| C10 | C9 | C14 | C13 | 59.6° | 60.0° |
| C10 | C9 | C32 | C22 | 59.0° | 60.0° |
| C9 | C10 | H1 | H2 | 119.2° | 120.1° |
| C10 | C9 | C14 | H6 | 60.4° | 180.0° |
| C10 | C9 | C14 | H7 | 179.6° | 60.0° |
| C10 | C9 | C32 | H24 | 179.2° | 60.0° |
| C10 | C9 | C32 | H25 | 61.1° | 180.0° |
| C11 | C12 | C13 | H3 | 120.2° | 120.0° |
| C11 | C12 | C13 | H4 | 120.2° | 119.9° |
| C12 | C11 | C21 | C22 | 58.4° | 60.0° |
| C11 | C12 | C13 | C14 | 60.2° | 60.0° |
| C11 | C12 | C13 | C23 | 59.9° | 60.1° |
| C12 | C11 | C10 | H1 | 61.4° | 60.0° |
| C12 | C11 | C10 | H2 | 179.1° | 180.0° |
| C11 | C12 | H3 | H4 | 119.5° | 120.0° |
| C11 | C12 | C13 | H5 | 179.7° | 180.0° |
| C12 | C11 | C21 | H15 | 178.6° | 180.0° |
| C12 | C11 | C21 | H16 | 61.9° | 60.0° |
| C21 | C11 | C12 | C13 | 58.7° | 60.1° |
| C11 | C21 | C22 | H15 | 120.3° | 120.0° |
| C11 | C21 | C22 | H16 | 120.2° | 120.0° |
| C11 | C21 | C22 | C32 | 59.4° | 60.0° |
| C11 | C21 | C22 | C23 | 58.8° | 60.0° |
| C11 | C21 | C22 | C24 | 179.3° | 180.0° |
| C21 | C11 | C10 | H1 | 178.7° | 180.0° |
| C21 | C11 | C10 | H2 | 61.8° | 60.0° |
| C21 | C11 | C12 | H3 | 61.5° | 60.0° |
| C21 | C11 | C12 | H4 | 178.9° | 180.0° |
| C11 | C21 | H15 | H16 | 119.2° | 120.0° |
| C12 | C13 | C14 | C9 | 60.1° | 60.0° |
| C12 | C13 | C14 | C23 | 119.8° | 120.0° |
| C12 | C13 | C14 | H5 | 120.1° | 120.0° |
| C12 | C13 | C23 | H5 | 119.8° | 119.9° |
| C12 | C13 | C23 | C22 | 59.8° | 60.0° |
| C13 | C12 | H3 | H4 | 119.4° | 120.0° |
| C12 | C13 | C14 | H6 | 59.9° | 180.0° |
| C12 | C13 | C14 | H7 | 179.9° | 60.1° |
| C12 | C13 | C23 | H17 | 60.3° | 60.0° |
| C12 | C13 | C23 | H18 | 180.0° | 179.9° |
| C1 | C9 | C14 | C32 | 121.6° | 120.1° |
| C9 | C1 | N1 | C8 | 145.1° | 175.0° |
| C1 | C9 | C14 | C13 | 179.0° | 180.0° |
| C9 | C1 | N1 | C2 | 4.5° | 5.0° |
| C1 | C9 | C32 | C22 | 178.4° | 180.0° |
| C1 | C9 | C10 | H1 | 60.3° | 60.0° |
| C1 | C9 | C10 | H2 | 59.1° | 60.1° |
| C1 | C9 | C14 | H6 | 59.0° | 60.0° |
| C1 | C9 | C14 | H7 | 61.0° | 59.9° |
| C1 | C9 | C32 | H24 | 61.5° | 60.0° |
| C1 | C9 | C32 | H25 | 58.2° | 59.9° |
| C1 | N1 | C8 | C5 | 83.9° | 126.4° |
| N1 | C1 | C9 | C14 | 58.0° | 58.2° |
| N1 | C1 | C9 | C32 | 62.9° | 178.3° |
| C1 | N1 | C8 | C2 | 152.2° | 179.9° |
| C1 | N1 | C2 | C3 | 128.8° | 126.4° |
| C1 | N1 | C2 | H12 | 110.9° | 113.8° |
| C1 | N1 | C2 | H13 | 8.5° | 6.6° |
| C1 | N1 | C8 | H33 | 156.0° | 6.6° |
| C1 | N1 | C8 | H34 | 36.2° | 113.8° |
| C7 | C5 | C8 | C4 | 120.0° | 120.0° |
| C7 | C5 | C8 | N1 | 164.6° | 65.3° |
| C7 | C5 | C4 | N2 | 22.5° | 61.4° |
| C7 | C5 | C4 | C3 | 103.3° | 58.6° |
| C7 | C5 | C4 | H26 | 140.3° | 178.6° |
| C7 | C5 | C6 | H27 | 180.0° | 60.1° |
| C7 | C5 | C6 | H28 | 60.0° | 59.9° |
| C7 | C5 | C6 | H29 | 60.0° | 179.9° |
| C5 | C7 | H30 | H31 | 120.0° | 120.0° |
| C5 | C7 | H30 | H32 | 120.0° | 120.0° |
| C5 | C7 | H31 | H32 | 120.0° | 120.0° |
| C7 | C5 | C8 | H33 | 44.6° | 54.5° |
| C7 | C5 | C8 | H34 | 75.3° | 174.9° |
| C5 | C8 | N1 | H33 | 120.1° | 119.7° |
| C5 | C8 | N1 | H34 | 120.1° | 119.8° |
| C5 | C8 | N1 | C2 | 68.2° | 53.7° |
| C8 | C5 | C4 | N2 | 142.4° | 178.6° |
| C8 | C5 | C4 | C3 | 16.5° | 61.4° |
| C8 | C5 | C4 | H26 | 99.8° | 58.6° |
| C8 | C5 | C6 | H27 | 60.1° | 60.0° |
| C8 | C5 | C6 | H28 | 59.9° | 180.0° |
| C8 | C5 | C6 | H29 | 179.9° | 60.0° |
| C8 | C5 | C7 | H30 | 59.7° | 60.0° |
| C8 | C5 | C7 | H31 | 179.7° | 180.0° |
| C8 | C5 | C7 | H32 | 60.3° | 60.0° |
| C5 | C8 | H33 | H34 | 119.7° | 120.4° |
| C4 | C5 | C8 | N1 | 44.7° | 54.7° |
| C5 | C4 | N2 | C3 | 125.6° | 120.1° |
| C5 | C4 | N2 | H26 | 117.3° | 120.0° |
| C5 | C4 | C3 | H26 | 116.2° | 120.0° |
| C5 | C4 | C3 | C2 | 60.5° | 61.4° |
| C5 | C4 | C3 | H22 | 179.2° | 58.6° |
| C5 | C4 | C3 | H23 | 59.7° | 178.6° |
| C4 | C5 | C6 | H27 | 60.2° | 179.8° |
| C4 | C5 | C6 | H28 | 179.9° | 60.2° |
| C4 | C5 | C6 | H29 | 59.9° | 59.8° |
| C4 | C5 | C7 | H30 | 60.1° | 59.8° |
| C4 | C5 | C7 | H31 | 60.0° | 60.2° |
| C4 | C5 | C7 | H32 | 180.0° | 179.8° |
| C4 | C5 | C8 | H33 | 75.4° | 174.4° |
| C4 | C5 | C8 | H34 | 164.8° | 65.2° |
| C5 | C4 | N2 | H35 | 180.0° | 179.9° |
| C5 | C4 | N2 | H36 | 60.0° | 56.0° |
| C9 | C14 | C13 | H6 | 120.0° | 120.0° |
| C9 | C14 | C13 | H7 | 120.0° | 120.1° |
| C9 | C14 | C13 | C23 | 59.7° | 59.9° |
| C14 | C9 | C32 | C22 | 59.9° | 60.0° |
| C14 | C9 | C10 | H1 | 60.3° | 60.0° |
| C14 | C9 | C10 | H2 | 179.7° | 179.9° |
| C9 | C14 | C13 | H5 | 179.9° | 180.0° |
| C9 | C14 | H6 | H7 | 120.0° | 120.0° |
| C14 | C9 | C32 | H24 | 60.3° | 180.0° |
| C14 | C9 | C32 | H25 | 180.0° | 60.1° |
| C9 | C32 | C22 | C21 | 59.3° | 60.0° |
| C32 | C9 | C14 | C13 | 59.4° | 59.9° |
| C9 | C32 | C22 | H24 | 120.2° | 119.9° |
| C9 | C32 | C22 | H25 | 120.2° | 120.0° |
| C9 | C32 | C22 | C23 | 59.3° | 60.0° |
| C9 | C32 | C22 | C24 | 179.9° | 180.0° |
| C32 | C9 | C10 | H1 | 179.3° | 179.9° |
| C32 | C9 | C10 | H2 | 61.2° | 60.0° |
| C32 | C9 | C14 | H6 | 179.4° | 60.0° |
| C32 | C9 | C14 | H7 | 60.6° | 180.0° |
| C9 | C32 | H24 | H25 | 119.5° | 119.9° |
| C8 | N1 | C2 | C3 | 22.7° | 53.7° |
| C8 | N1 | C2 | H12 | 97.7° | 66.1° |
| C8 | N1 | C2 | H13 | 143.0° | 173.5° |
| N1 | C8 | H33 | H34 | 119.7° | 120.4° |
| C21 | C22 | C23 | C13 | 59.1° | 60.0° |
| C21 | C22 | C32 | C23 | 118.6° | 120.0° |
| C21 | C22 | C32 | C24 | 120.9° | 120.0° |
| C21 | C22 | C23 | C24 | 120.5° | 120.0° |
| C22 | C21 | H15 | H16 | 119.2° | 120.0° |
| C21 | C22 | C23 | H17 | 61.0° | 60.0° |
| C21 | C22 | C23 | H18 | 179.3° | 180.0° |
| C21 | C22 | C24 | H19 | 180.0° | 60.0° |
| C21 | C22 | C24 | H20 | 60.0° | 180.0° |
| C21 | C22 | C24 | H21 | 60.0° | 60.0° |
| C21 | C22 | C32 | H24 | 179.4° | 59.9° |
| C21 | C22 | C32 | H25 | 60.9° | 180.0° |
| C14 | C13 | C23 | H5 | 120.1° | 120.1° |
| C14 | C13 | C23 | C22 | 60.2° | 60.0° |
| C14 | C13 | C12 | H3 | 179.6° | 180.0° |
| C14 | C13 | C12 | H4 | 60.0° | 60.0° |
| C13 | C14 | H6 | H7 | 120.0° | 120.0° |
| C14 | C13 | C23 | H17 | 179.6° | 180.0° |
| C14 | C13 | C23 | H18 | 59.9° | 60.0° |
| C13 | C23 | C22 | C32 | 59.4° | 60.0° |
| C13 | C23 | C22 | H17 | 120.1° | 120.0° |
| C13 | C23 | C22 | H18 | 120.1° | 120.0° |
| C13 | C23 | C22 | C24 | 179.7° | 180.0° |
| C23 | C13 | C12 | H3 | 60.3° | 60.0° |
| C23 | C13 | C12 | H4 | 179.9° | 180.0° |
| C23 | C13 | C14 | H6 | 179.7° | 60.0° |
| C23 | C13 | C14 | H7 | 60.2° | 180.0° |
| C13 | C23 | H17 | H18 | 119.5° | 120.0° |
| N1 | C2 | C3 | C4 | 40.0° | 54.7° |
| N1 | C2 | C3 | H12 | 120.3° | 119.8° |
| N1 | C2 | C3 | H13 | 120.3° | 119.9° |
| N1 | C2 | H12 | H13 | 119.1° | 120.5° |
| N1 | C2 | C3 | H22 | 160.2° | 65.3° |
| N1 | C2 | C3 | H23 | 80.2° | 174.7° |
| C2 | N1 | C8 | H33 | 51.8° | 173.4° |
| C2 | N1 | C8 | H34 | 171.7° | 66.1° |
| N2 | C4 | C3 | H26 | 117.5° | 120.0° |
| N2 | C4 | C3 | C2 | 173.2° | 178.6° |
| N2 | C4 | C3 | H22 | 53.0° | 61.4° |
| N2 | C4 | C3 | H23 | 66.6° | 58.6° |
| C4 | N2 | H35 | H36 | 120.0° | 123.9° |
| C4 | C3 | C2 | H22 | 120.2° | 120.0° |
| C4 | C3 | C2 | H23 | 120.2° | 120.0° |
| C4 | C3 | C2 | H12 | 160.3° | 65.1° |
| C4 | C3 | C2 | H13 | 80.3° | 174.5° |
| C4 | C3 | H22 | H23 | 119.3° | 120.1° |
| C3 | C4 | N2 | H35 | 54.4° | 60.0° |
| C3 | C4 | N2 | H36 | 174.4° | 176.1° |
| C32 | C22 | C23 | C24 | 121.0° | 119.9° |
| C32 | C22 | C21 | H15 | 60.8° | 60.0° |
| C32 | C22 | C21 | H16 | 179.7° | 180.0° |
| C32 | C22 | C23 | H17 | 179.5° | 180.0° |
| C32 | C22 | C23 | H18 | 60.8° | 60.0° |
| C32 | C22 | C24 | H19 | 59.7° | 180.0° |
| C32 | C22 | C24 | H20 | 60.3° | 60.0° |
| C32 | C22 | C24 | H21 | 179.7° | 60.0° |
| C22 | C32 | H24 | H25 | 119.5° | 120.1° |
| C22 | C23 | C13 | H5 | 179.6° | 180.0° |
| C23 | C22 | C21 | H15 | 179.0° | 180.0° |
| C23 | C22 | C21 | H16 | 61.5° | 60.0° |
| C22 | C23 | H17 | H18 | 119.5° | 120.0° |
| C23 | C22 | C24 | H19 | 60.0° | 60.0° |
| C23 | C22 | C24 | H20 | 180.0° | 60.0° |
| C23 | C22 | C24 | H21 | 60.0° | 180.0° |
| C23 | C22 | C32 | H24 | 60.9° | 180.0° |
| C23 | C22 | C32 | H25 | 179.5° | 60.0° |
| C24 | C22 | C21 | H15 | 60.4° | 60.0° |
| C24 | C22 | C21 | H16 | 59.1° | 60.0° |
| C24 | C22 | C23 | H17 | 59.5° | 60.0° |
| C24 | C22 | C23 | H18 | 60.2° | 60.0° |
| C22 | C24 | H19 | H20 | 120.0° | 120.1° |
| C22 | C24 | H19 | H21 | 120.0° | 120.0° |
| C22 | C24 | H20 | H21 | 120.0° | 120.0° |
| C24 | C22 | C32 | H24 | 59.7° | 60.1° |
| C24 | C22 | C32 | H25 | 60.0° | 60.0° |
| C3 | C2 | H12 | H13 | 119.1° | 120.3° |
| C2 | C3 | H22 | H23 | 119.3° | 120.0° |
| C2 | C3 | C4 | H26 | 55.7° | 58.6° |
| H3 | C12 | C13 | H5 | 59.5° | 60.0° |
| H4 | C12 | C13 | H5 | 60.1° | 60.1° |
| H5 | C13 | C14 | H6 | 60.2° | 60.0° |
| H5 | C13 | C14 | H7 | 59.9° | 59.9° |
| H5 | C13 | C23 | H17 | 59.5° | 60.0° |
| H5 | C13 | C23 | H18 | 60.2° | 60.0° |
| H8 | C16 | C17 | H9 | 0.1° | 0.0° |
| H9 | C17 | C18 | H10 | 0.0° | 0.1° |
| H10 | C18 | C19 | H11 | 0.1° | 0.1° |
| H11 | C19 | C20 | H14 | 0.0° | 0.2° |
| H12 | C2 | C3 | H22 | 79.5° | 174.9° |
| H12 | C2 | C3 | H23 | 40.1° | 54.9° |
| H13 | C2 | C3 | H22 | 39.9° | 54.6° |
| H13 | C2 | C3 | H23 | 159.4° | 65.5° |
| H19 | C24 | H20 | H21 | 119.9° | 119.9° |
| H22 | C3 | C4 | H26 | 64.5° | 178.6° |
| H23 | C3 | C4 | H26 | 175.9° | 61.3° |
| H26 | C4 | N2 | H35 | 62.7° | 59.9° |
| H26 | C4 | N2 | H36 | 57.3° | 64.0° |
| H27 | C6 | H28 | H29 | 120.0° | 120.0° |
| H30 | C7 | H31 | H32 | 119.9° | 120.0° |
