XOO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.39Å | 1.33Å | |
| C1 | N2 | doub | 1.32Å | 1.35Å | Aromatic |
| C1 | C5 | sing | 1.41Å | 1.42Å | Aromatic |
| N2 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.48Å | 1.48Å | |
| C6 | N3 | doub | 1.31Å | 1.33Å | Aromatic |
| C6 | N5 | sing | 1.37Å | 1.38Å | Aromatic |
| N3 | C7 | sing | 1.35Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C11 | sing | 1.41Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.37Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.42Å | Aromatic |
| C10 | N4 | sing | 1.33Å | 1.35Å | Aromatic |
| C10 | C28 | sing | 1.48Å | 1.49Å | |
| N4 | C11 | doub | 1.32Å | 1.34Å | Aromatic |
| C11 | N5 | sing | 1.38Å | 1.37Å | Aromatic |
| N5 | C12 | sing | 1.40Å | 1.43Å | |
| C12 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C18 | sing | 1.51Å | 1.50Å | |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | N6 | sing | 1.47Å | 1.45Å | |
| N6 | C19 | sing | 1.47Å | 1.46Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.37Å | Aromatic |
| C23 | C24 | doub | 1.40Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.47Å | 1.46Å | |
| C24 | C26 | sing | 1.40Å | 1.41Å | Aromatic |
| C26 | O2 | sing | 1.36Å | 1.37Å | |
| C26 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H19 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C27 | H23 | sing | 1.08Å | 1.08Å | |
| C29 | H24 | sing | 1.08Å | 1.08Å | |
| C30 | H25 | sing | 1.08Å | 1.08Å | |
| C31 | H26 | sing | 1.08Å | 1.08Å | |
| C32 | H27 | sing | 1.08Å | 1.08Å | |
| C33 | H28 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| N6 | H14 | sing | 1.01Å | 1.00Å | |
| O2 | H22 | sing | 0.97Å | 0.95Å | |
| C25 | O1 | doub | 1.21Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | N2 | 117.0° | 119.8° |
| N1 | C1 | C5 | 121.7° | 119.8° |
| C1 | N1 | H1 | 109.5° | 120.0° |
| C1 | N1 | H2 | 109.5° | 120.0° |
| N2 | C1 | C5 | 121.3° | 120.5° |
| C1 | N2 | C2 | 118.0° | 121.7° |
| C1 | C5 | C4 | 118.3° | 118.8° |
| C1 | C5 | C6 | 120.4° | 120.6° |
| N2 | C2 | C3 | 124.1° | 121.2° |
| N2 | C2 | H3 | 118.0° | 119.3° |
| C2 | C3 | C4 | 118.5° | 119.6° |
| C3 | C2 | H3 | 117.9° | 119.5° |
| C2 | C3 | H4 | 120.7° | 120.2° |
| C3 | C4 | C5 | 119.7° | 118.3° |
| C4 | C3 | H4 | 120.8° | 120.2° |
| C3 | C4 | H5 | 120.1° | 120.9° |
| C4 | C5 | C6 | 121.4° | 120.6° |
| C5 | C4 | H5 | 120.2° | 120.8° |
| C5 | C6 | N3 | 124.3° | 125.1° |
| C5 | C6 | N5 | 124.0° | 125.1° |
| N3 | C6 | N5 | 111.7° | 109.7° |
| C6 | N3 | C7 | 105.5° | 109.6° |
| C6 | N5 | C11 | 106.1° | 107.2° |
| C6 | N5 | C12 | 132.5° | 126.4° |
| N3 | C7 | C8 | 132.8° | 133.5° |
| N3 | C7 | C11 | 109.3° | 107.4° |
| C8 | C7 | C11 | 117.8° | 119.1° |
| C7 | C8 | C9 | 118.1° | 118.4° |
| C7 | C8 | H6 | 120.9° | 120.8° |
| C7 | C11 | N4 | 125.8° | 120.4° |
| C7 | C11 | N5 | 107.3° | 106.1° |
| C8 | C9 | C10 | 120.3° | 119.6° |
| C9 | C8 | H6 | 120.9° | 120.8° |
| C8 | C9 | H7 | 119.9° | 120.2° |
| C9 | C10 | N4 | 121.1° | 121.1° |
| C9 | C10 | C28 | 124.5° | 119.5° |
| C10 | C9 | H7 | 119.9° | 120.2° |
| N4 | C10 | C28 | 114.4° | 119.4° |
| C10 | N4 | C11 | 116.8° | 121.3° |
| C10 | C28 | C29 | 119.8° | 120.2° |
| C10 | C28 | C33 | 122.0° | 120.1° |
| N4 | C11 | N5 | 126.9° | 133.5° |
| C11 | N5 | C12 | 121.1° | 126.4° |
| N5 | C12 | C13 | 119.3° | 120.1° |
| N5 | C12 | C17 | 119.7° | 120.1° |
| C13 | C12 | C17 | 121.0° | 119.8° |
| C12 | C13 | C14 | 119.3° | 120.0° |
| C12 | C13 | H8 | 120.3° | 120.0° |
| C12 | C17 | C16 | 119.3° | 119.9° |
| C12 | C17 | H11 | 120.4° | 120.0° |
| C13 | C14 | C15 | 120.6° | 120.1° |
| C14 | C13 | H8 | 120.3° | 120.1° |
| C13 | C14 | H9 | 119.7° | 120.0° |
| C14 | C15 | C16 | 119.3° | 120.1° |
| C14 | C15 | C18 | 120.8° | 120.0° |
| C15 | C14 | H9 | 119.7° | 120.0° |
| C16 | C15 | C18 | 119.9° | 119.9° |
| C15 | C16 | C17 | 120.4° | 120.1° |
| C15 | C16 | H10 | 119.8° | 120.0° |
| C15 | C18 | N6 | 109.7° | 109.5° |
| C15 | C18 | H12 | 109.4° | 109.5° |
| C15 | C18 | H13 | 109.4° | 109.5° |
| C17 | C16 | H10 | 119.8° | 119.9° |
| C16 | C17 | H11 | 120.3° | 120.1° |
| C18 | N6 | C19 | 112.7° | 111.0° |
| N6 | C18 | H12 | 109.4° | 109.4° |
| N6 | C18 | H13 | 109.4° | 109.5° |
| C18 | N6 | H14 | 108.6° | 111.0° |
| N6 | C19 | C20 | 109.6° | 109.5° |
| N6 | C19 | H15 | 109.4° | 109.5° |
| N6 | C19 | H16 | 109.5° | 109.5° |
| C19 | N6 | H14 | 108.7° | 111.0° |
| C19 | C20 | C21 | 108.0° | 109.5° |
| C20 | C19 | H15 | 109.5° | 109.4° |
| C20 | C19 | H16 | 109.4° | 109.5° |
| C19 | C20 | H18 | 109.8° | 109.4° |
| C19 | C20 | H17 | 109.8° | 109.5° |
| C20 | C21 | C22 | 120.2° | 119.8° |
| C20 | C21 | C27 | 120.0° | 119.7° |
| C21 | C20 | H18 | 109.8° | 109.5° |
| C21 | C20 | H17 | 109.8° | 109.5° |
| C22 | C21 | C27 | 119.7° | 120.5° |
| C21 | C22 | C23 | 121.0° | 120.4° |
| C21 | C22 | H19 | 119.5° | 119.8° |
| C21 | C27 | C26 | 120.2° | 120.0° |
| C21 | C27 | H23 | 119.9° | 120.0° |
| C22 | C23 | C24 | 120.2° | 119.8° |
| C23 | C22 | H19 | 119.5° | 119.8° |
| C22 | C23 | H20 | 119.9° | 120.1° |
| C23 | C24 | C25 | 118.6° | 120.2° |
| C23 | C24 | C26 | 118.5° | 119.6° |
| C24 | C23 | H20 | 119.9° | 120.1° |
| C25 | C24 | C26 | 122.8° | 120.2° |
| C24 | C25 | H21 | 118.2° | 120.0° |
| C24 | C25 | O1 | 123.7° | 120.0° |
| C24 | C26 | O2 | 123.4° | 120.1° |
| C24 | C26 | C27 | 120.3° | 119.7° |
| O2 | C26 | C27 | 116.3° | 120.2° |
| C26 | O2 | H22 | 109.5° | 114.0° |
| C26 | C27 | H23 | 119.9° | 120.0° |
| C29 | C28 | C33 | 118.2° | 119.7° |
| C28 | C29 | C30 | 121.1° | 119.9° |
| C28 | C29 | H24 | 119.4° | 120.1° |
| C28 | C33 | C32 | 120.5° | 119.9° |
| C28 | C33 | H28 | 119.8° | 120.1° |
| C29 | C30 | C31 | 119.9° | 120.1° |
| C30 | C29 | H24 | 119.5° | 120.0° |
| C29 | C30 | H25 | 120.1° | 119.9° |
| C30 | C31 | C32 | 119.8° | 120.3° |
| C31 | C30 | H25 | 120.0° | 120.0° |
| C30 | C31 | H26 | 120.1° | 119.9° |
| C31 | C32 | C33 | 120.5° | 120.1° |
| C32 | C31 | H26 | 120.1° | 119.8° |
| C31 | C32 | H27 | 119.7° | 120.0° |
| C33 | C32 | H27 | 119.8° | 119.9° |
| C32 | C33 | H28 | 119.7° | 120.0° |
| H1 | N1 | H2 | 109.5° | 120.0° |
| H12 | C18 | H13 | 109.4° | 109.4° |
| H15 | C19 | H16 | 109.5° | 109.5° |
| H18 | C20 | H17 | 109.5° | 109.5° |
| H21 | C25 | O1 | 118.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | N2 | C5 | 179.1° | 179.5° |
| N1 | C1 | N2 | C2 | 179.1° | 180.0° |
| N1 | C1 | C5 | C4 | 179.8° | 179.8° |
| N1 | C1 | C5 | C6 | 1.0° | 0.2° |
| C1 | N1 | H1 | H2 | 120.0° | 179.7° |
| C1 | N2 | C2 | C3 | 1.6° | 0.5° |
| N2 | C1 | C5 | C4 | 1.1° | 0.3° |
| N2 | C1 | C5 | C6 | 180.0° | 179.7° |
| N2 | C1 | N1 | H1 | 0.0° | 6.3° |
| N2 | C1 | N1 | H2 | 120.0° | 173.4° |
| C1 | N2 | C2 | H3 | 178.4° | 179.7° |
| C5 | C1 | N2 | C2 | 1.8° | 0.5° |
| C1 | C5 | C4 | C3 | 0.2° | 0.1° |
| C1 | C5 | C4 | C6 | 178.8° | 180.0° |
| C1 | C5 | C6 | N3 | 35.9° | 48.0° |
| C1 | C5 | C6 | N5 | 145.1° | 131.7° |
| C5 | C1 | N1 | H1 | 179.1° | 173.2° |
| C5 | C1 | N1 | H2 | 59.1° | 7.1° |
| C1 | C5 | C4 | H5 | 179.8° | 180.0° |
| N2 | C2 | C3 | H3 | 180.0° | 179.8° |
| N2 | C2 | C3 | C4 | 0.7° | 0.2° |
| N2 | C2 | C3 | H4 | 179.3° | 179.8° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C2 | C3 | C4 | H5 | 180.0° | 180.0° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 179.0° | 180.0° |
| C4 | C3 | C2 | H3 | 179.3° | 180.0° |
| C4 | C5 | C6 | N3 | 142.9° | 132.0° |
| C4 | C5 | C6 | N5 | 36.2° | 48.3° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C5 | C6 | N3 | N5 | 179.2° | 179.7° |
| C5 | C6 | N3 | C7 | 179.7° | 180.0° |
| C5 | C6 | N5 | C11 | 178.6° | 180.0° |
| C5 | C6 | N5 | C12 | 5.3° | 0.0° |
| C6 | C5 | C4 | H5 | 1.0° | 0.0° |
| C6 | N3 | C7 | C8 | 179.7° | 179.9° |
| C6 | N3 | C7 | C11 | 0.4° | 0.2° |
| N3 | C6 | N5 | C11 | 2.3° | 0.3° |
| N3 | C6 | N5 | C12 | 175.5° | 179.7° |
| N5 | C6 | N3 | C7 | 1.2° | 0.3° |
| C6 | N5 | C11 | C7 | 2.4° | 0.1° |
| C6 | N5 | C11 | N4 | 178.7° | 180.0° |
| C6 | N5 | C11 | C12 | 174.2° | 180.0° |
| C6 | N5 | C12 | C13 | 44.9° | 113.1° |
| C6 | N5 | C12 | C17 | 138.6° | 67.2° |
| N3 | C7 | C8 | C11 | 179.3° | 179.9° |
| N3 | C7 | C8 | C9 | 180.0° | 179.9° |
| N3 | C7 | C11 | N4 | 179.3° | 179.9° |
| N3 | C7 | C11 | N5 | 1.8° | 0.0° |
| N3 | C7 | C8 | H6 | 0.0° | 0.1° |
| C7 | C8 | C9 | H6 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.5° | 0.0° |
| C8 | C7 | C11 | N4 | 0.2° | 0.1° |
| C8 | C7 | C11 | N5 | 178.8° | 180.0° |
| C7 | C8 | C9 | H7 | 179.5° | 180.0° |
| C11 | C7 | C8 | C9 | 0.7° | 0.0° |
| C7 | C11 | N4 | C10 | 1.3° | 0.1° |
| C7 | C11 | N4 | N5 | 178.8° | 179.9° |
| C7 | C11 | N5 | C12 | 176.6° | 179.8° |
| C11 | C7 | C8 | H6 | 179.3° | 180.0° |
| C8 | C9 | C10 | H7 | 180.0° | 180.0° |
| C8 | C9 | C10 | N4 | 0.6° | 0.1° |
| C8 | C9 | C10 | C28 | 179.5° | 179.9° |
| C9 | C10 | N4 | C28 | 179.0° | 179.8° |
| C9 | C10 | N4 | C11 | 1.5° | 0.2° |
| C9 | C10 | C28 | C29 | 164.8° | 179.8° |
| C9 | C10 | C28 | C33 | 16.8° | 0.5° |
| C10 | C9 | C8 | H6 | 179.5° | 180.0° |
| C10 | N4 | C11 | N5 | 177.5° | 179.9° |
| N4 | C10 | C28 | C29 | 16.2° | 0.0° |
| N4 | C10 | C28 | C33 | 162.2° | 179.7° |
| N4 | C10 | C9 | H7 | 179.4° | 179.9° |
| C28 | C10 | N4 | C11 | 179.5° | 179.9° |
| C10 | C28 | C29 | C33 | 178.4° | 179.7° |
| C10 | C28 | C29 | C30 | 180.0° | 180.0° |
| C10 | C28 | C33 | C32 | 179.6° | 179.8° |
| C10 | C28 | C29 | H24 | 0.0° | 0.1° |
| C10 | C28 | C33 | H28 | 0.4° | 0.1° |
| C28 | C10 | C9 | H7 | 0.5° | 0.1° |
| N4 | C11 | N5 | C12 | 4.4° | 0.1° |
| C11 | N5 | C12 | C13 | 127.6° | 67.0° |
| C11 | N5 | C12 | C17 | 48.9° | 112.8° |
| N5 | C12 | C13 | C17 | 176.4° | 179.8° |
| N5 | C12 | C13 | C14 | 177.4° | 179.7° |
| N5 | C12 | C17 | C16 | 176.5° | 179.7° |
| N5 | C12 | C13 | H8 | 2.5° | 0.2° |
| N5 | C12 | C17 | H11 | 3.5° | 0.2° |
| C12 | C13 | C14 | H8 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.5° | 0.1° |
| C13 | C12 | C17 | C16 | 0.1° | 0.0° |
| C12 | C13 | C14 | H9 | 179.5° | 180.0° |
| C13 | C12 | C17 | H11 | 179.9° | 180.0° |
| C17 | C12 | C13 | C14 | 1.0° | 0.1° |
| C12 | C17 | C16 | C15 | 1.3° | 0.0° |
| C12 | C17 | C16 | H11 | 180.0° | 180.0° |
| C17 | C12 | C13 | H8 | 179.0° | 180.0° |
| C12 | C17 | C16 | H10 | 178.7° | 180.0° |
| C13 | C14 | C15 | H9 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.9° | 0.1° |
| C13 | C14 | C15 | C18 | 179.2° | 179.9° |
| C14 | C15 | C16 | C18 | 178.4° | 180.0° |
| C14 | C15 | C16 | C17 | 1.8° | 0.0° |
| C14 | C15 | C18 | N6 | 172.4° | 90.0° |
| C15 | C14 | C13 | H8 | 179.5° | 180.0° |
| C14 | C15 | C16 | H10 | 178.2° | 180.0° |
| C14 | C15 | C18 | H12 | 52.4° | 150.0° |
| C14 | C15 | C18 | H13 | 67.5° | 30.0° |
| C15 | C16 | C17 | H10 | 180.0° | 180.0° |
| C16 | C15 | C18 | N6 | 6.0° | 90.0° |
| C16 | C15 | C14 | H9 | 179.1° | 180.0° |
| C15 | C16 | C17 | H11 | 178.7° | 180.0° |
| C16 | C15 | C18 | H12 | 126.0° | 30.0° |
| C16 | C15 | C18 | H13 | 114.1° | 150.0° |
| C18 | C15 | C16 | C17 | 179.8° | 180.0° |
| C15 | C18 | N6 | H12 | 120.0° | 120.0° |
| C15 | C18 | N6 | H13 | 120.1° | 120.0° |
| C15 | C18 | N6 | C19 | 175.6° | 180.0° |
| C18 | C15 | C14 | H9 | 0.7° | 0.0° |
| C18 | C15 | C16 | H10 | 0.2° | 0.0° |
| C15 | C18 | H12 | H13 | 119.9° | 120.0° |
| C15 | C18 | N6 | H14 | 64.0° | 56.0° |
| C18 | N6 | C19 | H14 | 120.5° | 124.0° |
| C18 | N6 | C19 | C20 | 65.0° | 180.0° |
| N6 | C18 | H12 | H13 | 119.9° | 120.0° |
| C18 | N6 | C19 | H15 | 55.0° | 60.0° |
| C18 | N6 | C19 | H16 | 175.0° | 60.0° |
| N6 | C19 | C20 | H15 | 120.0° | 120.0° |
| N6 | C19 | C20 | H16 | 120.0° | 120.1° |
| N6 | C19 | C20 | C21 | 157.3° | 180.0° |
| C19 | N6 | C18 | H12 | 55.5° | 60.0° |
| C19 | N6 | C18 | H13 | 64.4° | 60.0° |
| N6 | C19 | H15 | H16 | 120.0° | 120.1° |
| N6 | C19 | C20 | H18 | 37.5° | 60.1° |
| N6 | C19 | C20 | H17 | 82.9° | 59.9° |
| C19 | C20 | C21 | H18 | 119.8° | 119.9° |
| C19 | C20 | C21 | H17 | 119.8° | 120.1° |
| C19 | C20 | C21 | C22 | 54.5° | 90.0° |
| C19 | C20 | C21 | C27 | 122.7° | 89.7° |
| C20 | C19 | H15 | H16 | 119.9° | 119.9° |
| C19 | C20 | H18 | H17 | 120.7° | 120.0° |
| C20 | C19 | N6 | H14 | 174.5° | 56.0° |
| C20 | C21 | C22 | C27 | 177.2° | 179.7° |
| C20 | C21 | C22 | C23 | 179.4° | 179.7° |
| C20 | C21 | C27 | C26 | 179.4° | 179.7° |
| C20 | C21 | C22 | H19 | 0.6° | 0.3° |
| C21 | C20 | C19 | H15 | 82.7° | 60.0° |
| C21 | C20 | C19 | H16 | 37.2° | 59.9° |
| C21 | C20 | H18 | H17 | 120.7° | 120.0° |
| C20 | C21 | C27 | H23 | 0.6° | 0.3° |
| C21 | C22 | C23 | H19 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 2.3° | 0.0° |
| C22 | C21 | C27 | C26 | 2.1° | 0.0° |
| C22 | C21 | C20 | H18 | 65.3° | 150.0° |
| C22 | C21 | C20 | H17 | 174.3° | 30.0° |
| C21 | C22 | C23 | H20 | 177.7° | 179.9° |
| C22 | C21 | C27 | H23 | 177.8° | 180.0° |
| C27 | C21 | C22 | C23 | 2.2° | 0.0° |
| C21 | C27 | C26 | C24 | 2.2° | 0.0° |
| C21 | C27 | C26 | O2 | 179.8° | 180.0° |
| C21 | C27 | C26 | H23 | 180.0° | 180.0° |
| C27 | C21 | C22 | H19 | 177.8° | 180.0° |
| C27 | C21 | C20 | H18 | 117.5° | 30.2° |
| C27 | C21 | C20 | H17 | 2.9° | 150.2° |
| C22 | C23 | C24 | H20 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 179.1° | 180.0° |
| C22 | C23 | C24 | C26 | 2.3° | 0.0° |
| C23 | C24 | C25 | C26 | 176.7° | 180.0° |
| C23 | C24 | C26 | O2 | 179.6° | 180.0° |
| C23 | C24 | C26 | C27 | 2.2° | 0.0° |
| C24 | C23 | C22 | H19 | 177.7° | 180.0° |
| C23 | C24 | C25 | H21 | 6.6° | 0.0° |
| C23 | C24 | C25 | O1 | 173.4° | 180.0° |
| C25 | C24 | C26 | O2 | 3.6° | 0.1° |
| C25 | C24 | C26 | C27 | 178.9° | 180.0° |
| C25 | C24 | C23 | H20 | 0.9° | 0.1° |
| C24 | C25 | H21 | O1 | 180.0° | 179.9° |
| C24 | C26 | O2 | C27 | 177.5° | 180.0° |
| C26 | C24 | C23 | H20 | 177.7° | 180.0° |
| C26 | C24 | C25 | H21 | 176.6° | 180.0° |
| C24 | C26 | C27 | H23 | 177.8° | 180.0° |
| C24 | C26 | O2 | H22 | 4.6° | 90.0° |
| C26 | C24 | C25 | O1 | 3.4° | 0.1° |
| O2 | C26 | C27 | H23 | 0.2° | 0.0° |
| C27 | C26 | O2 | H22 | 177.9° | 90.0° |
| C28 | C29 | C30 | H24 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 1.0° | 0.0° |
| C29 | C28 | C33 | C32 | 1.2° | 0.6° |
| C28 | C29 | C30 | H25 | 179.0° | 180.0° |
| C29 | C28 | C33 | H28 | 178.8° | 179.7° |
| C33 | C28 | C29 | C30 | 1.5° | 0.3° |
| C28 | C33 | C32 | C31 | 0.3° | 0.5° |
| C28 | C33 | C32 | H28 | 180.0° | 179.7° |
| C33 | C28 | C29 | H24 | 178.5° | 179.8° |
| C28 | C33 | C32 | H27 | 179.7° | 179.7° |
| C29 | C30 | C31 | H25 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.1° | 0.0° |
| C29 | C30 | C31 | H26 | 179.9° | 180.0° |
| C30 | C31 | C32 | H26 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.2° | 0.3° |
| C31 | C30 | C29 | H24 | 179.0° | 180.0° |
| C30 | C31 | C32 | H27 | 179.7° | 179.9° |
| C31 | C32 | C33 | H27 | 180.0° | 179.8° |
| C32 | C31 | C30 | H25 | 179.9° | 180.0° |
| C31 | C32 | C33 | H28 | 179.7° | 179.8° |
| C33 | C32 | C31 | H26 | 179.7° | 179.8° |
| H3 | C2 | C3 | H4 | 0.7° | 0.0° |
| H4 | C3 | C4 | H5 | 0.0° | 0.0° |
| H19 | C22 | C23 | H20 | 2.3° | 0.0° |
| H8 | C13 | C14 | H9 | 0.5° | 0.1° |
| H10 | C16 | C17 | H11 | 1.3° | 0.0° |
| H12 | C18 | N6 | H14 | 176.0° | 176.1° |
| H13 | C18 | N6 | H14 | 56.1° | 64.0° |
| H15 | C19 | C20 | H18 | 157.5° | 180.0° |
| H15 | C19 | C20 | H17 | 37.1° | 60.1° |
| H15 | C19 | N6 | H14 | 65.5° | 63.9° |
| H16 | C19 | C20 | H18 | 82.5° | 60.0° |
| H16 | C19 | C20 | H17 | 157.0° | 180.0° |
| H16 | C19 | N6 | H14 | 54.5° | 176.0° |
| H24 | C29 | C30 | H25 | 1.0° | 0.0° |
| H25 | C30 | C31 | H26 | 0.1° | 0.0° |
| H26 | C31 | C32 | H27 | 0.3° | 0.0° |
| H27 | C32 | C33 | H28 | 0.3° | 0.0° |
| H6 | C8 | C9 | H7 | 0.5° | 0.0° |
