TT5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | doub | 1.38Å | 1.32Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.53Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.54Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.32Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.33Å | Aromatic |
| C11 | C16 | sing | 1.40Å | 1.54Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.57Å | |
| O1 | C10 | doub | 1.22Å | 1.19Å | |
| C10 | N1 | sing | 1.35Å | 1.50Å | |
| C23 | C8 | sing | 1.53Å | 1.56Å | |
| C23 | C24 | sing | 1.53Å | 1.49Å | |
| N1 | C8 | sing | 1.47Å | 1.48Å | |
| N1 | C9 | sing | 1.47Å | 1.45Å | |
| C7 | C8 | sing | 1.53Å | 1.56Å | |
| C7 | C5 | sing | 1.51Å | 1.56Å | |
| C8 | C24 | sing | 1.53Å | 1.56Å | |
| C5 | C4 | doub | 1.39Å | 1.54Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.33Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.33Å | Aromatic |
| C9 | C6 | sing | 1.51Å | 1.52Å | |
| C9 | C17 | sing | 1.51Å | 1.56Å | |
| C6 | C1 | doub | 1.39Å | 1.54Å | Aromatic |
| C3 | O2 | sing | 1.36Å | 1.41Å | |
| C3 | C2 | doub | 1.39Å | 1.54Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.33Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.33Å | Aromatic |
| C17 | C22 | sing | 1.38Å | 1.54Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.54Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.33Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.33Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.54Å | Aromatic |
| C20 | O3 | sing | 1.36Å | 1.42Å | |
| O3 | C25 | sing | 1.43Å | 1.42Å | |
| C25 | C26 | sing | 1.53Å | 1.56Å | |
| C26 | N2 | sing | 1.47Å | 1.34Å | |
| C31 | N2 | sing | 1.47Å | 1.33Å | |
| C31 | C30 | sing | 1.53Å | 1.55Å | |
| N2 | C27 | sing | 1.47Å | 1.32Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C2 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C9 | H33 | sing | 1.09Å | 1.10Å | |
| O2 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C12 | 119.7° | 120.2° |
| C13 | C14 | C15 | 120.1° | 120.3° |
| C14 | C13 | H4 | 120.2° | 119.9° |
| C13 | C14 | H16 | 119.9° | 119.9° |
| C13 | C12 | C11 | 120.3° | 119.9° |
| C12 | C13 | H4 | 120.1° | 119.9° |
| C13 | C12 | H15 | 119.8° | 120.1° |
| C14 | C15 | C16 | 120.3° | 120.1° |
| C14 | C15 | H5 | 119.9° | 119.9° |
| C15 | C14 | H16 | 119.9° | 119.8° |
| C12 | C11 | C16 | 120.2° | 119.7° |
| C12 | C11 | C10 | 117.6° | 120.2° |
| C11 | C12 | H15 | 119.9° | 120.1° |
| C15 | C16 | C11 | 119.4° | 119.9° |
| C16 | C15 | H5 | 119.9° | 119.9° |
| C15 | C16 | H17 | 120.3° | 120.1° |
| C16 | C11 | C10 | 122.3° | 120.2° |
| C11 | C16 | H17 | 120.3° | 120.0° |
| C11 | C10 | O1 | 118.9° | 120.0° |
| C11 | C10 | N1 | 122.8° | 120.0° |
| O1 | C10 | N1 | 118.3° | 120.0° |
| C10 | N1 | C8 | 123.4° | 121.6° |
| C10 | N1 | C9 | 116.9° | 121.7° |
| C8 | C23 | C24 | 61.6° | 59.9° |
| C23 | C8 | N1 | 135.1° | 118.0° |
| C23 | C8 | C7 | 97.7° | 118.5° |
| C23 | C8 | C24 | 56.9° | 60.2° |
| C8 | C23 | H21 | 119.7° | 117.5° |
| C8 | C23 | H22 | 119.7° | 117.5° |
| C23 | C24 | C8 | 61.5° | 59.9° |
| C23 | C24 | H8 | 119.7° | 117.5° |
| C23 | C24 | H9 | 119.7° | 117.5° |
| C24 | C23 | H21 | 119.7° | 117.5° |
| C24 | C23 | H22 | 119.7° | 117.5° |
| C8 | N1 | C9 | 119.7° | 116.7° |
| N1 | C8 | C7 | 110.1° | 113.6° |
| N1 | C8 | C24 | 131.2° | 118.1° |
| N1 | C9 | C6 | 110.1° | 110.5° |
| N1 | C9 | C17 | 112.3° | 109.3° |
| N1 | C9 | H33 | 108.9° | 109.2° |
| C8 | C7 | C5 | 114.4° | 110.2° |
| C7 | C8 | C24 | 114.1° | 118.6° |
| C8 | C7 | H2 | 108.2° | 109.4° |
| C8 | C7 | H3 | 108.2° | 109.4° |
| C7 | C5 | C4 | 118.3° | 117.0° |
| C7 | C5 | C6 | 122.2° | 123.2° |
| C5 | C7 | H2 | 108.2° | 109.4° |
| C5 | C7 | H3 | 108.3° | 109.3° |
| C8 | C24 | H8 | 119.7° | 117.5° |
| C8 | C24 | H9 | 119.8° | 117.5° |
| C4 | C5 | C6 | 119.5° | 119.8° |
| C5 | C4 | C3 | 119.9° | 120.6° |
| C5 | C4 | H1 | 120.0° | 119.7° |
| C5 | C6 | C9 | 123.3° | 123.5° |
| C5 | C6 | C1 | 120.9° | 119.5° |
| C4 | C3 | O2 | 119.8° | 120.2° |
| C4 | C3 | C2 | 120.2° | 119.5° |
| C3 | C4 | H1 | 120.1° | 119.7° |
| C6 | C9 | C17 | 109.8° | 109.3° |
| C9 | C6 | C1 | 115.8° | 117.0° |
| C6 | C9 | H33 | 107.9° | 109.3° |
| C9 | C17 | C18 | 118.8° | 119.9° |
| C9 | C17 | C22 | 120.8° | 120.0° |
| C17 | C9 | H33 | 107.5° | 109.1° |
| C6 | C1 | C2 | 119.4° | 120.8° |
| C6 | C1 | H14 | 120.3° | 119.6° |
| O2 | C3 | C2 | 119.9° | 120.2° |
| C3 | O2 | H35 | 109.5° | 114.0° |
| C3 | C2 | C1 | 120.1° | 119.7° |
| C3 | C2 | H20 | 120.0° | 120.2° |
| C2 | C1 | H14 | 120.3° | 119.6° |
| C1 | C2 | H20 | 120.0° | 120.1° |
| C18 | C17 | C22 | 120.4° | 120.1° |
| C17 | C18 | C19 | 119.8° | 120.0° |
| C17 | C18 | H18 | 120.1° | 119.9° |
| C17 | C22 | C21 | 119.8° | 120.0° |
| C17 | C22 | H7 | 120.1° | 120.0° |
| C18 | C19 | C20 | 119.8° | 120.0° |
| C19 | C18 | H18 | 120.1° | 120.0° |
| C18 | C19 | H19 | 120.1° | 120.0° |
| C22 | C21 | C20 | 119.7° | 119.9° |
| C22 | C21 | H6 | 120.2° | 120.0° |
| C21 | C22 | H7 | 120.1° | 120.0° |
| C19 | C20 | C21 | 120.4° | 119.9° |
| C19 | C20 | O3 | 119.2° | 120.1° |
| C20 | C19 | H19 | 120.1° | 120.0° |
| C21 | C20 | O3 | 120.4° | 120.0° |
| C20 | C21 | H6 | 120.1° | 120.0° |
| C20 | O3 | C25 | 113.0° | 117.0° |
| O3 | C25 | C26 | 109.6° | 109.4° |
| O3 | C25 | H23 | 109.4° | 109.5° |
| O3 | C25 | H24 | 109.5° | 109.5° |
| C25 | C26 | N2 | 115.5° | 109.5° |
| C25 | C26 | H10 | 107.9° | 109.5° |
| C25 | C26 | H11 | 107.9° | 109.5° |
| C26 | C25 | H23 | 109.5° | 109.5° |
| C26 | C25 | H24 | 109.4° | 109.5° |
| C26 | N2 | C31 | 114.3° | 111.0° |
| C26 | N2 | C27 | 108.3° | 111.0° |
| N2 | C26 | H10 | 107.9° | 109.5° |
| N2 | C26 | H11 | 107.9° | 109.5° |
| N2 | C31 | C30 | 115.6° | 109.5° |
| C31 | N2 | C27 | 116.1° | 111.2° |
| N2 | C31 | H31 | 107.9° | 109.5° |
| N2 | C31 | H32 | 107.9° | 109.5° |
| C31 | C30 | C29 | 111.5° | 109.3° |
| C31 | C30 | H29 | 109.0° | 109.5° |
| C31 | C30 | H30 | 109.0° | 109.6° |
| C30 | C31 | H31 | 107.9° | 109.4° |
| C30 | C31 | H32 | 107.9° | 109.5° |
| N2 | C27 | C28 | 116.6° | 109.5° |
| N2 | C27 | H25 | 107.7° | 109.5° |
| N2 | C27 | H26 | 107.7° | 109.4° |
| C27 | C28 | C29 | 110.1° | 109.3° |
| C27 | C28 | H12 | 109.3° | 109.5° |
| C27 | C28 | H13 | 109.3° | 109.6° |
| C28 | C27 | H25 | 107.7° | 109.5° |
| C28 | C27 | H26 | 107.7° | 109.5° |
| C30 | C29 | C28 | 108.1° | 109.2° |
| C30 | C29 | H27 | 109.8° | 109.5° |
| C30 | C29 | H28 | 109.8° | 109.6° |
| C29 | C30 | H29 | 108.9° | 109.5° |
| C29 | C30 | H30 | 108.9° | 109.5° |
| C29 | C28 | H12 | 109.3° | 109.5° |
| C29 | C28 | H13 | 109.3° | 109.5° |
| C28 | C29 | H27 | 109.8° | 109.6° |
| C28 | C29 | H28 | 109.8° | 109.5° |
| H2 | C7 | H3 | 109.5° | 109.2° |
| H8 | C24 | H9 | 109.5° | 115.6° |
| H10 | C26 | H11 | 109.5° | 109.4° |
| H12 | C28 | H13 | 109.4° | 109.4° |
| H21 | C23 | H22 | 109.5° | 115.6° |
| H23 | C25 | H24 | 109.4° | 109.5° |
| H25 | C27 | H26 | 109.5° | 109.5° |
| H27 | C29 | H28 | 109.4° | 109.5° |
| H29 | C30 | H30 | 109.5° | 109.5° |
| H31 | C31 | H32 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C12 | H4 | 180.0° | 179.8° |
| C13 | C14 | C15 | H16 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 0.3° | 0.1° |
| C13 | C14 | C15 | C16 | 0.0° | 0.1° |
| C13 | C14 | C15 | H5 | 180.0° | 180.0° |
| C14 | C13 | C12 | H15 | 179.7° | 179.9° |
| C12 | C13 | C14 | C15 | 0.1° | 0.1° |
| C13 | C12 | C11 | H15 | 180.0° | 180.0° |
| C13 | C12 | C11 | C16 | 0.3° | 0.0° |
| C13 | C12 | C11 | C10 | 179.8° | 180.0° |
| C12 | C13 | C14 | H16 | 179.8° | 180.0° |
| C14 | C15 | C16 | H5 | 180.0° | 180.0° |
| C14 | C15 | C16 | C11 | 0.0° | 0.0° |
| C15 | C14 | C13 | H4 | 179.9° | 179.7° |
| C14 | C15 | C16 | H17 | 180.0° | 180.0° |
| C12 | C11 | C16 | C15 | 0.2° | 0.0° |
| C12 | C11 | C16 | C10 | 179.9° | 180.0° |
| C12 | C11 | C10 | O1 | 92.9° | 123.4° |
| C12 | C11 | C10 | N1 | 85.9° | 56.5° |
| C11 | C12 | C13 | H4 | 179.7° | 179.7° |
| C12 | C11 | C16 | H17 | 179.8° | 180.0° |
| C15 | C16 | C11 | H17 | 180.0° | 180.0° |
| C15 | C16 | C11 | C10 | 179.9° | 180.0° |
| C16 | C15 | C14 | H16 | 180.0° | 179.9° |
| C16 | C11 | C10 | O1 | 86.9° | 56.5° |
| C16 | C11 | C10 | N1 | 94.2° | 123.5° |
| C11 | C16 | C15 | H5 | 180.0° | 180.0° |
| C16 | C11 | C12 | H15 | 179.7° | 180.0° |
| C11 | C10 | O1 | N1 | 178.9° | 180.0° |
| C11 | C10 | N1 | C8 | 1.0° | 175.3° |
| C11 | C10 | N1 | C9 | 178.7° | 4.5° |
| C10 | C11 | C12 | H15 | 0.2° | 0.0° |
| C10 | C11 | C16 | H17 | 0.1° | 0.0° |
| O1 | C10 | N1 | C8 | 179.8° | 4.8° |
| O1 | C10 | N1 | C9 | 0.1° | 175.5° |
| C10 | N1 | C8 | C23 | 2.0° | 22.8° |
| C10 | N1 | C8 | C9 | 179.7° | 179.8° |
| C10 | N1 | C8 | C7 | 126.6° | 122.4° |
| C10 | N1 | C8 | C24 | 79.4° | 92.1° |
| C10 | N1 | C9 | C6 | 131.1° | 138.4° |
| C10 | N1 | C9 | C17 | 106.1° | 101.3° |
| C10 | N1 | C9 | H33 | 12.9° | 18.1° |
| C8 | C23 | C24 | H21 | 109.9° | 107.5° |
| C8 | C23 | C24 | H22 | 109.9° | 107.5° |
| C23 | C8 | N1 | C7 | 124.6° | 145.2° |
| C23 | C8 | N1 | C24 | 81.4° | 69.3° |
| C23 | C8 | N1 | C9 | 177.7° | 157.4° |
| C23 | C8 | C7 | C24 | 57.1° | 69.7° |
| C23 | C8 | C7 | C5 | 171.7° | 174.2° |
| C23 | C8 | C7 | H2 | 50.9° | 53.9° |
| C23 | C8 | C7 | H3 | 67.6° | 65.7° |
| C8 | C23 | C24 | H8 | 109.9° | 107.4° |
| C8 | C23 | C24 | H9 | 109.9° | 107.4° |
| C8 | C23 | H21 | H22 | 143.8° | 145.8° |
| C23 | C24 | H8 | H9 | 143.9° | 145.8° |
| C24 | C23 | H21 | H22 | 143.9° | 145.7° |
| N1 | C8 | C7 | C24 | 158.8° | 145.3° |
| N1 | C8 | C7 | C5 | 27.5° | 40.8° |
| C8 | N1 | C9 | C6 | 48.6° | 41.4° |
| C8 | N1 | C9 | C17 | 74.1° | 79.0° |
| N1 | C8 | C7 | H2 | 93.2° | 161.1° |
| N1 | C8 | C7 | H3 | 148.3° | 79.3° |
| N1 | C8 | C24 | H8 | 126.5° | 0.4° |
| N1 | C8 | C24 | H9 | 13.8° | 144.6° |
| N1 | C8 | C23 | H21 | 132.7° | 144.5° |
| N1 | C8 | C23 | H22 | 7.5° | 0.6° |
| C8 | N1 | C9 | H33 | 166.8° | 161.7° |
| C9 | N1 | C8 | C7 | 53.1° | 57.4° |
| C9 | N1 | C8 | C24 | 100.9° | 88.2° |
| N1 | C9 | C6 | C5 | 19.9° | 14.8° |
| N1 | C9 | C6 | C17 | 124.2° | 120.4° |
| N1 | C9 | C6 | H33 | 118.8° | 120.2° |
| N1 | C9 | C17 | H33 | 119.9° | 119.4° |
| N1 | C9 | C6 | C1 | 159.9° | 166.3° |
| N1 | C9 | C17 | C18 | 104.7° | 60.9° |
| N1 | C9 | C17 | C22 | 76.0° | 119.4° |
| C8 | C7 | C5 | H2 | 120.7° | 120.3° |
| C8 | C7 | C5 | H3 | 120.7° | 120.2° |
| C8 | C7 | C5 | C4 | 175.8° | 165.0° |
| C8 | C7 | C5 | C6 | 4.1° | 16.0° |
| C8 | C7 | H2 | H3 | 117.7° | 119.7° |
| C7 | C8 | C24 | H8 | 26.6° | 144.2° |
| C7 | C8 | C24 | H9 | 166.9° | 0.8° |
| C7 | C8 | C23 | H21 | 4.0° | 1.0° |
| C7 | C8 | C23 | H22 | 136.2° | 144.1° |
| C5 | C7 | C8 | C24 | 131.3° | 104.5° |
| C7 | C5 | C4 | C6 | 179.9° | 179.1° |
| C7 | C5 | C4 | C3 | 179.9° | 178.2° |
| C7 | C5 | C6 | C9 | 0.2° | 3.5° |
| C7 | C5 | C6 | C1 | 180.0° | 177.6° |
| C7 | C5 | C4 | H1 | 0.1° | 1.9° |
| C5 | C7 | H2 | H3 | 117.8° | 119.6° |
| C24 | C8 | C7 | H2 | 108.0° | 15.7° |
| C24 | C8 | C7 | H3 | 10.5° | 135.3° |
| C8 | C24 | H8 | H9 | 144.0° | 145.7° |
| C5 | C4 | C3 | H1 | 180.0° | 180.0° |
| C4 | C5 | C6 | C9 | 179.9° | 177.5° |
| C4 | C5 | C6 | C1 | 0.1° | 1.4° |
| C5 | C4 | C3 | O2 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.1° | 0.1° |
| C4 | C5 | C7 | H2 | 63.5° | 44.7° |
| C4 | C5 | C7 | H3 | 55.1° | 74.8° |
| C6 | C5 | C4 | C3 | 0.0° | 0.9° |
| C5 | C6 | C9 | C1 | 179.8° | 178.9° |
| C5 | C6 | C9 | C17 | 104.3° | 105.6° |
| C5 | C6 | C1 | C2 | 0.1° | 0.9° |
| C6 | C5 | C4 | H1 | 180.0° | 179.1° |
| C6 | C5 | C7 | H2 | 116.7° | 136.3° |
| C6 | C5 | C7 | H3 | 124.8° | 104.2° |
| C5 | C6 | C1 | H14 | 179.8° | 179.0° |
| C5 | C6 | C9 | H33 | 138.7° | 135.0° |
| C4 | C3 | O2 | C2 | 179.9° | 179.9° |
| C4 | C3 | C2 | C1 | 0.0° | 0.5° |
| C4 | C3 | C2 | H20 | 180.0° | 179.5° |
| C4 | C3 | O2 | H35 | 180.0° | 90.0° |
| C6 | C9 | C17 | H33 | 117.2° | 119.5° |
| C9 | C6 | C1 | C2 | 180.0° | 178.0° |
| C6 | C9 | C17 | C18 | 132.4° | 60.1° |
| C6 | C9 | C17 | C22 | 46.9° | 119.6° |
| C9 | C6 | C1 | H14 | 0.0° | 2.0° |
| C17 | C9 | C6 | C1 | 75.8° | 73.3° |
| C9 | C17 | C18 | C22 | 179.3° | 179.7° |
| C9 | C17 | C18 | C19 | 179.7° | 179.7° |
| C9 | C17 | C22 | C21 | 179.7° | 179.7° |
| C9 | C17 | C22 | H7 | 0.2° | 0.3° |
| C9 | C17 | C18 | H18 | 0.3° | 0.3° |
| C6 | C1 | C2 | C3 | 0.1° | 0.0° |
| C6 | C1 | C2 | H14 | 180.0° | 180.0° |
| C6 | C1 | C2 | H20 | 179.9° | 180.0° |
| C1 | C6 | C9 | H33 | 41.1° | 46.1° |
| O2 | C3 | C2 | C1 | 179.9° | 179.6° |
| O2 | C3 | C4 | H1 | 0.0° | 0.0° |
| O2 | C3 | C2 | H20 | 0.1° | 0.4° |
| C3 | C2 | C1 | H20 | 180.0° | 180.0° |
| C2 | C3 | C4 | H1 | 179.9° | 179.9° |
| C3 | C2 | C1 | H14 | 179.9° | 180.0° |
| C2 | C3 | O2 | H35 | 0.1° | 90.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C18 | C17 | C22 | C21 | 0.5° | 0.0° |
| C17 | C18 | C19 | C20 | 0.2° | 0.0° |
| C18 | C17 | C22 | H7 | 179.5° | 180.0° |
| C17 | C18 | C19 | H19 | 179.8° | 180.0° |
| C18 | C17 | C9 | H33 | 15.2° | 179.6° |
| C22 | C17 | C18 | C19 | 0.4° | 0.0° |
| C17 | C22 | C21 | H7 | 180.0° | 180.0° |
| C17 | C22 | C21 | C20 | 0.2° | 0.0° |
| C17 | C22 | C21 | H6 | 179.8° | 180.0° |
| C22 | C17 | C18 | H18 | 179.6° | 180.0° |
| C22 | C17 | C9 | H33 | 164.1° | 0.1° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C18 | C19 | C20 | O3 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 0.1° | 0.0° |
| C22 | C21 | C20 | H6 | 180.0° | 180.0° |
| C22 | C21 | C20 | O3 | 179.9° | 180.0° |
| C19 | C20 | C21 | O3 | 179.9° | 179.9° |
| C19 | C20 | O3 | C25 | 42.2° | 0.1° |
| C19 | C20 | C21 | H6 | 179.9° | 180.0° |
| C20 | C19 | C18 | H18 | 179.8° | 180.0° |
| C21 | C20 | O3 | C25 | 137.6° | 180.0° |
| C20 | C21 | C22 | H7 | 179.8° | 180.0° |
| C21 | C20 | C19 | H19 | 179.9° | 180.0° |
| C20 | O3 | C25 | C26 | 175.0° | 180.0° |
| O3 | C20 | C21 | H6 | 0.1° | 0.1° |
| O3 | C20 | C19 | H19 | 0.0° | 0.1° |
| C20 | O3 | C25 | H23 | 55.0° | 60.0° |
| C20 | O3 | C25 | H24 | 65.0° | 60.0° |
| O3 | C25 | C26 | H23 | 120.0° | 120.0° |
| O3 | C25 | C26 | H24 | 120.0° | 120.0° |
| O3 | C25 | C26 | N2 | 88.0° | 65.0° |
| O3 | C25 | C26 | H10 | 32.9° | 175.0° |
| O3 | C25 | C26 | H11 | 151.2° | 55.0° |
| O3 | C25 | H23 | H24 | 120.0° | 120.0° |
| C25 | C26 | N2 | H10 | 120.9° | 120.0° |
| C25 | C26 | N2 | H11 | 120.9° | 120.1° |
| C25 | C26 | N2 | C31 | 3.7° | 170.0° |
| C25 | C26 | N2 | C27 | 127.4° | 65.8° |
| C25 | C26 | H10 | H11 | 117.3° | 120.0° |
| C26 | C25 | H23 | H24 | 119.9° | 120.0° |
| C26 | N2 | C31 | C27 | 127.1° | 124.1° |
| C26 | N2 | C31 | C30 | 173.4° | 174.1° |
| C26 | N2 | C27 | C28 | 161.9° | 174.2° |
| N2 | C26 | H10 | H11 | 117.2° | 120.0° |
| N2 | C26 | C25 | H23 | 152.0° | 175.0° |
| N2 | C26 | C25 | H24 | 32.1° | 55.0° |
| C26 | N2 | C27 | H25 | 77.0° | 65.8° |
| C26 | N2 | C27 | H26 | 40.9° | 54.2° |
| C26 | N2 | C31 | H31 | 65.7° | 54.2° |
| C26 | N2 | C31 | H32 | 52.6° | 65.8° |
| N2 | C31 | C30 | H31 | 120.9° | 120.0° |
| N2 | C31 | C30 | H32 | 120.9° | 120.1° |
| C31 | N2 | C27 | C28 | 31.8° | 61.8° |
| N2 | C31 | C30 | C29 | 23.5° | 59.2° |
| C31 | N2 | C26 | H10 | 117.2° | 70.0° |
| C31 | N2 | C26 | H11 | 124.5° | 50.0° |
| C31 | N2 | C27 | H25 | 152.9° | 58.2° |
| C31 | N2 | C27 | H26 | 89.2° | 178.2° |
| N2 | C31 | C30 | H29 | 143.8° | 60.7° |
| N2 | C31 | C30 | H30 | 96.8° | 179.2° |
| N2 | C31 | H31 | H32 | 117.2° | 120.0° |
| C30 | C31 | N2 | C27 | 59.4° | 61.8° |
| C31 | C30 | C29 | H29 | 120.3° | 119.9° |
| C31 | C30 | C29 | H30 | 120.3° | 120.1° |
| C31 | C30 | C29 | C28 | 31.8° | 57.6° |
| C31 | C30 | C29 | H27 | 151.7° | 177.6° |
| C31 | C30 | C29 | H28 | 88.0° | 62.3° |
| C31 | C30 | H29 | H30 | 119.1° | 120.2° |
| C30 | C31 | H31 | H32 | 117.2° | 119.9° |
| N2 | C27 | C28 | H25 | 121.0° | 120.0° |
| N2 | C27 | C28 | H26 | 121.0° | 120.0° |
| N2 | C27 | C28 | C29 | 27.0° | 59.2° |
| C27 | N2 | C26 | H10 | 111.7° | 54.2° |
| C27 | N2 | C26 | H11 | 6.5° | 174.1° |
| N2 | C27 | C28 | H12 | 147.0° | 60.8° |
| N2 | C27 | C28 | H13 | 93.2° | 179.2° |
| N2 | C27 | H25 | H26 | 116.8° | 119.9° |
| C27 | N2 | C31 | H31 | 61.5° | 178.2° |
| C27 | N2 | C31 | H32 | 179.7° | 58.2° |
| C27 | C28 | C29 | C30 | 55.8° | 57.6° |
| C27 | C28 | C29 | H12 | 120.1° | 120.0° |
| C27 | C28 | C29 | H13 | 120.1° | 120.0° |
| C27 | C28 | H12 | H13 | 119.7° | 120.1° |
| C28 | C27 | H25 | H26 | 116.8° | 120.1° |
| C27 | C28 | C29 | H27 | 175.6° | 177.6° |
| C27 | C28 | C29 | H28 | 64.0° | 62.3° |
| C30 | C29 | C28 | H27 | 119.8° | 119.9° |
| C30 | C29 | C28 | H28 | 119.8° | 120.0° |
| C30 | C29 | C28 | H12 | 175.9° | 62.3° |
| C30 | C29 | C28 | H13 | 64.3° | 177.7° |
| C30 | C29 | H27 | H28 | 120.6° | 120.1° |
| C29 | C30 | H29 | H30 | 119.0° | 120.0° |
| C29 | C30 | C31 | H31 | 97.4° | 179.2° |
| C29 | C30 | C31 | H32 | 144.4° | 60.9° |
| C29 | C28 | H12 | H13 | 119.7° | 120.0° |
| C29 | C28 | C27 | H25 | 94.1° | 60.8° |
| C29 | C28 | C27 | H26 | 148.0° | 179.2° |
| C28 | C29 | H27 | H28 | 120.6° | 120.1° |
| C28 | C29 | C30 | H29 | 88.5° | 62.3° |
| C28 | C29 | C30 | H30 | 152.2° | 177.7° |
| H4 | C13 | C12 | H15 | 0.3° | 0.3° |
| H4 | C13 | C14 | H16 | 0.2° | 0.2° |
| H5 | C15 | C14 | H16 | 0.0° | 0.1° |
| H5 | C15 | C16 | H17 | 0.0° | 0.0° |
| H6 | C21 | C22 | H7 | 0.2° | 0.0° |
| H8 | C24 | C23 | H21 | 0.0° | 145.1° |
| H8 | C24 | C23 | H22 | 140.2° | 0.0° |
| H9 | C24 | C23 | H21 | 140.2° | 0.0° |
| H9 | C24 | C23 | H22 | 0.0° | 145.1° |
| H10 | C26 | C25 | H23 | 87.1° | 55.0° |
| H10 | C26 | C25 | H24 | 153.0° | 65.0° |
| H11 | C26 | C25 | H23 | 31.1° | 65.0° |
| H11 | C26 | C25 | H24 | 88.8° | 175.0° |
| H12 | C28 | C27 | H25 | 26.0° | 179.2° |
| H12 | C28 | C27 | H26 | 91.9° | 59.2° |
| H12 | C28 | C29 | H27 | 64.3° | 57.6° |
| H12 | C28 | C29 | H28 | 56.1° | 177.7° |
| H13 | C28 | C27 | H25 | 145.8° | 59.2° |
| H13 | C28 | C27 | H26 | 27.9° | 60.9° |
| H13 | C28 | C29 | H27 | 55.4° | 62.4° |
| H13 | C28 | C29 | H28 | 175.8° | 57.7° |
| H14 | C1 | C2 | H20 | 0.1° | 0.0° |
| H18 | C18 | C19 | H19 | 0.2° | 0.0° |
| H27 | C29 | C30 | H29 | 31.3° | 57.6° |
| H27 | C29 | C30 | H30 | 88.0° | 62.4° |
| H28 | C29 | C30 | H29 | 151.7° | 177.7° |
| H28 | C29 | C30 | H30 | 32.3° | 57.7° |
| H29 | C30 | C31 | H31 | 22.9° | 59.3° |
| H29 | C30 | C31 | H32 | 95.4° | 179.2° |
| H30 | C30 | C31 | H31 | 142.3° | 60.8° |
| H30 | C30 | C31 | H32 | 24.1° | 59.1° |
