TU9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | doub | 1.38Å | 1.52Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.31Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.29Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.51Å | Aromatic |
| C16 | C11 | doub | 1.40Å | 1.53Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.30Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.53Å | |
| C10 | O2 | doub | 1.22Å | 1.17Å | |
| C10 | N1 | sing | 1.35Å | 1.46Å | |
| C30 | C8 | sing | 1.53Å | 1.55Å | |
| C30 | C31 | sing | 1.53Å | 1.45Å | |
| N1 | C8 | sing | 1.47Å | 1.47Å | |
| N1 | C9 | sing | 1.47Å | 1.45Å | |
| C8 | C7 | sing | 1.53Å | 1.50Å | |
| C8 | C31 | sing | 1.53Å | 1.55Å | |
| C7 | C5 | sing | 1.51Å | 1.50Å | |
| C5 | C4 | doub | 1.39Å | 1.55Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.25Å | Aromatic |
| C9 | C6 | sing | 1.51Å | 1.53Å | |
| C9 | C17 | sing | 1.51Å | 1.47Å | |
| C4 | C3 | sing | 1.38Å | 1.33Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.52Å | Aromatic |
| C3 | O1 | sing | 1.36Å | 1.37Å | |
| C3 | C2 | doub | 1.39Å | 1.49Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.29Å | Aromatic |
| C17 | C22 | doub | 1.38Å | 1.51Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.30Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.30Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.52Å | Aromatic |
| C21 | C20 | doub | 1.39Å | 1.50Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.30Å | Aromatic |
| C20 | O3 | sing | 1.36Å | 1.43Å | |
| O3 | C23 | sing | 1.43Å | 1.42Å | |
| C23 | C24 | sing | 1.53Å | 1.62Å | |
| C27 | C24 | sing | 1.54Å | 1.51Å | |
| C27 | N2 | sing | 1.47Å | 1.40Å | |
| C24 | C25 | sing | 1.55Å | 1.39Å | |
| N2 | C28 | sing | 1.47Å | 1.20Å | |
| N2 | C26 | sing | 1.48Å | 1.42Å | |
| C29 | C28 | sing | 1.53Å | 1.55Å | |
| C25 | C26 | sing | 1.55Å | 1.50Å | |
| 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 | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C2 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | 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 | |
| O1 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C13 | 123.4° | 120.3° |
| C14 | C15 | C16 | 116.0° | 120.1° |
| C14 | C15 | H5 | 122.0° | 119.9° |
| C15 | C14 | H15 | 118.3° | 119.9° |
| C14 | C13 | C12 | 120.5° | 120.1° |
| C14 | C13 | H4 | 119.8° | 119.9° |
| C13 | C14 | H15 | 118.3° | 119.8° |
| C15 | C16 | C11 | 120.8° | 119.9° |
| C16 | C15 | H5 | 122.0° | 119.9° |
| C15 | C16 | H16 | 119.6° | 120.1° |
| C13 | C12 | C11 | 115.8° | 119.8° |
| C12 | C13 | H4 | 119.8° | 119.9° |
| C13 | C12 | H14 | 122.1° | 120.1° |
| C16 | C11 | C12 | 123.6° | 119.7° |
| C16 | C11 | C10 | 113.2° | 120.1° |
| C11 | C16 | H16 | 119.6° | 120.1° |
| C12 | C11 | C10 | 122.9° | 120.1° |
| C11 | C12 | H14 | 122.1° | 120.0° |
| C11 | C10 | O2 | 116.7° | 120.0° |
| C11 | C10 | N1 | 123.8° | 120.0° |
| O2 | C10 | N1 | 119.0° | 120.0° |
| C10 | N1 | C8 | 123.5° | 121.6° |
| C10 | N1 | C9 | 114.1° | 121.7° |
| C8 | C30 | C31 | 62.3° | 59.9° |
| C30 | C8 | N1 | 119.5° | 118.0° |
| C30 | C8 | C7 | 127.7° | 118.6° |
| C30 | C8 | C31 | 55.7° | 60.3° |
| C8 | C30 | H29 | 119.6° | 117.5° |
| C8 | C30 | H30 | 119.6° | 117.6° |
| C30 | C31 | C8 | 62.0° | 59.9° |
| C31 | C30 | H29 | 119.6° | 117.5° |
| C31 | C30 | H30 | 119.6° | 117.5° |
| C30 | C31 | H31 | 119.7° | 117.4° |
| C30 | C31 | H32 | 119.7° | 117.5° |
| C8 | N1 | C9 | 122.4° | 116.6° |
| N1 | C8 | C7 | 112.3° | 113.6° |
| N1 | C8 | C31 | 127.4° | 118.0° |
| N1 | C9 | C6 | 112.7° | 110.4° |
| N1 | C9 | C17 | 115.3° | 109.3° |
| N1 | C9 | H33 | 106.4° | 109.2° |
| C7 | C8 | C31 | 98.4° | 118.6° |
| C8 | C7 | C5 | 118.6° | 110.1° |
| C8 | C7 | H2 | 107.1° | 109.3° |
| C8 | C7 | H3 | 107.1° | 109.3° |
| C8 | C31 | H31 | 119.7° | 117.5° |
| C8 | C31 | H32 | 119.7° | 117.5° |
| C7 | C5 | C4 | 114.7° | 117.0° |
| C7 | C5 | C6 | 124.5° | 123.2° |
| C5 | C7 | H2 | 107.2° | 109.3° |
| C5 | C7 | H3 | 107.2° | 109.4° |
| C4 | C5 | C6 | 120.5° | 119.8° |
| C5 | C4 | C3 | 121.1° | 120.7° |
| C5 | C4 | H1 | 119.5° | 119.7° |
| C5 | C6 | C9 | 121.3° | 123.5° |
| C5 | C6 | C1 | 118.4° | 119.6° |
| C6 | C9 | C17 | 110.0° | 109.3° |
| C9 | C6 | C1 | 120.2° | 116.9° |
| C6 | C9 | H33 | 105.6° | 109.3° |
| C9 | C17 | C22 | 118.4° | 120.0° |
| C9 | C17 | C18 | 120.3° | 120.0° |
| C17 | C9 | H33 | 106.1° | 109.2° |
| C4 | C3 | O1 | 122.5° | 120.3° |
| C4 | C3 | C2 | 116.4° | 119.5° |
| C3 | C4 | H1 | 119.5° | 119.6° |
| C6 | C1 | C2 | 121.7° | 120.8° |
| C6 | C1 | H13 | 119.2° | 119.6° |
| O1 | C3 | C2 | 121.1° | 120.2° |
| C3 | O1 | H35 | 109.5° | 114.0° |
| C3 | C2 | C1 | 121.8° | 119.7° |
| C3 | C2 | H19 | 119.1° | 120.2° |
| C2 | C1 | H13 | 119.1° | 119.6° |
| C1 | C2 | H19 | 119.1° | 120.1° |
| C22 | C17 | C18 | 121.2° | 120.1° |
| C17 | C22 | C21 | 120.5° | 120.1° |
| C17 | C22 | H7 | 119.7° | 119.9° |
| C17 | C18 | C19 | 116.9° | 120.1° |
| C17 | C18 | H17 | 121.5° | 119.9° |
| C22 | C21 | C20 | 120.2° | 119.9° |
| C22 | C21 | H6 | 119.9° | 120.0° |
| C21 | C22 | H7 | 119.7° | 120.0° |
| C18 | C19 | C20 | 122.6° | 119.9° |
| C19 | C18 | H17 | 121.5° | 120.0° |
| C18 | C19 | H18 | 118.7° | 120.1° |
| C21 | C20 | C19 | 118.4° | 119.9° |
| C21 | C20 | O3 | 118.9° | 120.0° |
| C20 | C21 | H6 | 119.9° | 120.1° |
| C19 | C20 | O3 | 122.6° | 120.1° |
| C20 | C19 | H18 | 118.7° | 120.0° |
| C20 | O3 | C23 | 123.4° | 117.0° |
| O3 | C23 | C24 | 116.6° | 109.5° |
| O3 | C23 | H20 | 107.7° | 109.5° |
| O3 | C23 | H21 | 107.6° | 109.5° |
| C23 | C24 | C27 | 104.5° | 110.9° |
| C23 | C24 | C25 | 118.3° | 110.7° |
| C23 | C24 | H8 | 107.8° | 110.6° |
| C24 | C23 | H20 | 107.6° | 109.4° |
| C24 | C23 | H21 | 107.7° | 109.4° |
| C24 | C27 | N2 | 104.5° | 107.2° |
| C27 | C24 | C25 | 105.9° | 103.0° |
| C27 | C24 | H8 | 109.1° | 110.7° |
| C24 | C27 | H24 | 110.7° | 109.8° |
| C24 | C27 | H25 | 110.7° | 109.9° |
| C27 | N2 | C28 | 109.6° | 111.0° |
| C27 | N2 | C26 | 110.5° | 108.6° |
| N2 | C27 | H24 | 110.7° | 109.9° |
| N2 | C27 | H25 | 110.7° | 109.9° |
| C24 | C25 | C26 | 103.9° | 101.6° |
| C25 | C24 | H8 | 110.8° | 110.7° |
| C24 | C25 | H22 | 110.9° | 111.0° |
| C24 | C25 | H23 | 110.9° | 111.0° |
| C28 | N2 | C26 | 107.2° | 111.0° |
| N2 | C28 | C29 | 113.9° | 109.5° |
| N2 | C28 | H11 | 108.4° | 109.4° |
| N2 | C28 | H12 | 108.4° | 109.4° |
| N2 | C26 | C25 | 104.5° | 104.8° |
| N2 | C26 | H9 | 110.7° | 110.4° |
| N2 | C26 | H10 | 110.7° | 110.5° |
| C29 | C28 | H11 | 108.3° | 109.5° |
| C29 | C28 | H12 | 108.3° | 109.5° |
| C28 | C29 | H26 | 109.5° | 109.5° |
| C28 | C29 | H27 | 109.4° | 109.5° |
| C28 | C29 | H28 | 109.5° | 109.4° |
| C25 | C26 | H9 | 110.7° | 110.3° |
| C25 | C26 | H10 | 110.7° | 110.4° |
| C26 | C25 | H22 | 110.9° | 111.0° |
| C26 | C25 | H23 | 110.9° | 111.0° |
| H2 | C7 | H3 | 109.4° | 109.3° |
| H9 | C26 | H10 | 109.4° | 110.3° |
| H11 | C28 | H12 | 109.5° | 109.5° |
| H20 | C23 | H21 | 109.5° | 109.4° |
| H22 | C25 | H23 | 109.4° | 110.9° |
| H24 | C27 | H25 | 109.5° | 110.1° |
| H26 | C29 | H27 | 109.5° | 109.5° |
| H26 | C29 | H28 | 109.5° | 109.5° |
| H27 | C29 | H28 | 109.5° | 109.4° |
| H29 | C30 | H30 | 109.4° | 115.6° |
| H31 | C31 | H32 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C13 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | H5 | 180.0° | 179.7° |
| C15 | C14 | C13 | C12 | 0.9° | 0.1° |
| C14 | C15 | C16 | C11 | 0.9° | 0.3° |
| C15 | C14 | C13 | H4 | 179.1° | 179.7° |
| C14 | C15 | C16 | H16 | 179.1° | 179.7° |
| C13 | C14 | C15 | C16 | 0.6° | 0.0° |
| C14 | C13 | C12 | H4 | 180.0° | 179.6° |
| C14 | C13 | C12 | C11 | 0.4° | 0.3° |
| C13 | C14 | C15 | H5 | 179.4° | 179.7° |
| C14 | C13 | C12 | H14 | 179.6° | 179.8° |
| C15 | C16 | C11 | H16 | 180.0° | 180.0° |
| C15 | C16 | C11 | C12 | 2.3° | 0.6° |
| C15 | C16 | C11 | C10 | 175.8° | 180.0° |
| C16 | C15 | C14 | H15 | 179.4° | 179.9° |
| C13 | C12 | C11 | C16 | 1.9° | 0.6° |
| C13 | C12 | C11 | H14 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 174.8° | 179.9° |
| C12 | C13 | C14 | H15 | 179.1° | 179.9° |
| C16 | C11 | C12 | C10 | 172.8° | 179.5° |
| C16 | C11 | C10 | O2 | 118.9° | 135.5° |
| C16 | C11 | C10 | N1 | 52.7° | 44.5° |
| C11 | C16 | C15 | H5 | 179.1° | 179.9° |
| C16 | C11 | C12 | H14 | 178.1° | 179.5° |
| C12 | C11 | C10 | O2 | 54.6° | 44.0° |
| C12 | C11 | C10 | N1 | 133.8° | 136.0° |
| C11 | C12 | C13 | H4 | 179.6° | 179.9° |
| C12 | C11 | C16 | H16 | 177.7° | 179.5° |
| C11 | C10 | O2 | N1 | 172.0° | 180.0° |
| C11 | C10 | N1 | C8 | 8.9° | 175.7° |
| C11 | C10 | N1 | C9 | 173.7° | 4.1° |
| C10 | C11 | C12 | H14 | 5.2° | 0.1° |
| C10 | C11 | C16 | H16 | 4.2° | 0.0° |
| O2 | C10 | N1 | C8 | 179.6° | 4.4° |
| O2 | C10 | N1 | C9 | 2.2° | 175.9° |
| C10 | N1 | C8 | C30 | 17.5° | 23.2° |
| C10 | N1 | C8 | C9 | 177.2° | 179.8° |
| C10 | N1 | C8 | C7 | 154.2° | 122.2° |
| C10 | N1 | C8 | C31 | 85.0° | 92.4° |
| C10 | N1 | C9 | C6 | 148.0° | 138.3° |
| C10 | N1 | C9 | C17 | 84.6° | 101.3° |
| C10 | N1 | C9 | H33 | 32.7° | 18.1° |
| C8 | C30 | C31 | H29 | 110.1° | 107.4° |
| C8 | C30 | C31 | H30 | 110.1° | 107.5° |
| C30 | C8 | N1 | C7 | 171.7° | 145.4° |
| C30 | C8 | N1 | C31 | 67.5° | 69.3° |
| C30 | C8 | N1 | C9 | 159.6° | 157.1° |
| C30 | C8 | C7 | C31 | 52.7° | 69.7° |
| C30 | C8 | C7 | C5 | 179.3° | 173.9° |
| C30 | C8 | C7 | H2 | 59.4° | 53.7° |
| C30 | C8 | C7 | H3 | 58.0° | 66.0° |
| C8 | C30 | H29 | H30 | 143.5° | 145.8° |
| C8 | C30 | C31 | H31 | 110.0° | 107.5° |
| C8 | C30 | C31 | H32 | 110.0° | 107.4° |
| C31 | C30 | H29 | H30 | 143.5° | 145.7° |
| C30 | C31 | H31 | H32 | 143.7° | 145.7° |
| N1 | C8 | C7 | C31 | 136.4° | 145.1° |
| N1 | C8 | C7 | C5 | 9.8° | 41.0° |
| C8 | N1 | C9 | C6 | 34.6° | 41.4° |
| C8 | N1 | C9 | C17 | 92.8° | 78.9° |
| N1 | C8 | C7 | H2 | 111.5° | 161.2° |
| N1 | C8 | C7 | H3 | 131.1° | 79.2° |
| N1 | C8 | C30 | H29 | 132.5° | 144.6° |
| N1 | C8 | C30 | H30 | 7.2° | 0.5° |
| N1 | C8 | C31 | H31 | 146.8° | 0.6° |
| N1 | C8 | C31 | H32 | 6.9° | 144.6° |
| C8 | N1 | C9 | H33 | 149.8° | 161.7° |
| C9 | N1 | C8 | C7 | 28.6° | 57.5° |
| C9 | N1 | C8 | C31 | 92.1° | 87.8° |
| N1 | C9 | C6 | C5 | 22.2° | 14.7° |
| N1 | C9 | C6 | C17 | 130.1° | 120.3° |
| N1 | C9 | C6 | H33 | 115.7° | 120.2° |
| N1 | C9 | C17 | H33 | 117.5° | 119.4° |
| N1 | C9 | C6 | C1 | 161.4° | 166.4° |
| N1 | C9 | C17 | C22 | 94.1° | 158.5° |
| N1 | C9 | C17 | C18 | 86.6° | 21.3° |
| C8 | C7 | C5 | H2 | 121.3° | 120.2° |
| C8 | C7 | C5 | H3 | 121.3° | 120.1° |
| C8 | C7 | C5 | C4 | 173.7° | 164.9° |
| C8 | C7 | C5 | C6 | 0.4° | 16.1° |
| C8 | C7 | H2 | H3 | 115.8° | 119.6° |
| C7 | C8 | C30 | H29 | 37.8° | 1.0° |
| C7 | C8 | C30 | H30 | 177.6° | 144.2° |
| C7 | C8 | C31 | H31 | 20.3° | 144.2° |
| C7 | C8 | C31 | H32 | 119.7° | 1.0° |
| C31 | C8 | C7 | C5 | 126.6° | 104.1° |
| C31 | C8 | C7 | H2 | 112.1° | 16.0° |
| C31 | C8 | C7 | H3 | 5.2° | 135.7° |
| C8 | C31 | H31 | H32 | 143.7° | 145.8° |
| C7 | C5 | C4 | C6 | 174.4° | 179.0° |
| C7 | C5 | C6 | C9 | 6.0° | 3.5° |
| C7 | C5 | C4 | C3 | 178.0° | 178.2° |
| C7 | C5 | C6 | C1 | 177.6° | 177.7° |
| C7 | C5 | C4 | H1 | 2.0° | 1.8° |
| C5 | C7 | H2 | H3 | 115.9° | 119.7° |
| C4 | C5 | C6 | C9 | 179.8° | 177.6° |
| C5 | C4 | C3 | H1 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 3.8° | 1.2° |
| C5 | C4 | C3 | O1 | 178.0° | 180.0° |
| C5 | C4 | C3 | C2 | 1.5° | 0.1° |
| C4 | C5 | C7 | H2 | 52.4° | 44.8° |
| C4 | C5 | C7 | H3 | 65.0° | 74.9° |
| C5 | C6 | C9 | C1 | 176.3° | 178.9° |
| C5 | C6 | C9 | C17 | 107.9° | 105.6° |
| C6 | C5 | C4 | C3 | 3.6° | 0.8° |
| C5 | C6 | C1 | C2 | 2.4° | 0.8° |
| C6 | C5 | C4 | H1 | 176.4° | 179.2° |
| C6 | C5 | C7 | H2 | 121.7° | 136.3° |
| C6 | C5 | C7 | H3 | 120.9° | 104.0° |
| C5 | C6 | C1 | H13 | 177.6° | 179.2° |
| C5 | C6 | C9 | H33 | 138.0° | 134.9° |
| C6 | C9 | C17 | H33 | 113.8° | 119.6° |
| C9 | C6 | C1 | C2 | 178.9° | 178.1° |
| C6 | C9 | C17 | C22 | 137.1° | 37.5° |
| C6 | C9 | C17 | C18 | 42.2° | 142.3° |
| C9 | C6 | C1 | H13 | 1.1° | 1.9° |
| C17 | C9 | C6 | C1 | 68.4° | 73.3° |
| C9 | C17 | C22 | C18 | 179.3° | 179.8° |
| C9 | C17 | C22 | C21 | 177.3° | 179.7° |
| C9 | C17 | C18 | C19 | 177.4° | 179.7° |
| C9 | C17 | C22 | H7 | 2.7° | 0.2° |
| C9 | C17 | C18 | H17 | 2.6° | 0.2° |
| C4 | C3 | O1 | C2 | 179.4° | 179.9° |
| C4 | C3 | C2 | C1 | 0.0° | 0.5° |
| C4 | C3 | C2 | H19 | 180.0° | 179.5° |
| C4 | C3 | O1 | H35 | 180.0° | 90.0° |
| C6 | C1 | C2 | C3 | 0.4° | 0.0° |
| C6 | C1 | C2 | H13 | 180.0° | 180.0° |
| C6 | C1 | C2 | H19 | 179.7° | 180.0° |
| C1 | C6 | C9 | H33 | 45.7° | 46.2° |
| O1 | C3 | C2 | C1 | 179.4° | 179.6° |
| O1 | C3 | C4 | H1 | 2.0° | 0.1° |
| O1 | C3 | C2 | H19 | 0.5° | 0.3° |
| C3 | C2 | C1 | H19 | 180.0° | 180.0° |
| C2 | C3 | C4 | H1 | 178.5° | 180.0° |
| C3 | C2 | C1 | H13 | 179.6° | 179.9° |
| C2 | C3 | O1 | H35 | 0.5° | 90.1° |
| C17 | C22 | C21 | H7 | 180.0° | 180.0° |
| C22 | C17 | C18 | C19 | 1.8° | 0.0° |
| C17 | C22 | C21 | C20 | 0.1° | 0.0° |
| C17 | C22 | C21 | H6 | 179.9° | 180.0° |
| C22 | C17 | C18 | H17 | 178.2° | 180.0° |
| C22 | C17 | C9 | H33 | 23.3° | 82.1° |
| C18 | C17 | C22 | C21 | 2.0° | 0.0° |
| C17 | C18 | C19 | H17 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.4° | 0.0° |
| C18 | C17 | C22 | H7 | 178.0° | 180.0° |
| C17 | C18 | C19 | H18 | 179.6° | 180.0° |
| C18 | C17 | C9 | H33 | 155.9° | 98.2° |
| C22 | C21 | C20 | H6 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 2.2° | 0.0° |
| C22 | C21 | C20 | O3 | 177.7° | 180.0° |
| C18 | C19 | C20 | C21 | 2.4° | 0.0° |
| C18 | C19 | C20 | H18 | 180.0° | 180.0° |
| C18 | C19 | C20 | O3 | 177.7° | 180.0° |
| C21 | C20 | C19 | O3 | 175.3° | 180.0° |
| C21 | C20 | O3 | C23 | 90.5° | 180.0° |
| C20 | C21 | C22 | H7 | 179.9° | 180.0° |
| C21 | C20 | C19 | H18 | 177.6° | 180.0° |
| C19 | C20 | O3 | C23 | 94.2° | 0.0° |
| C19 | C20 | C21 | H6 | 177.7° | 179.9° |
| C20 | C19 | C18 | H17 | 179.6° | 180.0° |
| C20 | O3 | C23 | C24 | 156.7° | 180.0° |
| O3 | C20 | C21 | H6 | 2.3° | 0.1° |
| O3 | C20 | C19 | H18 | 2.3° | 0.0° |
| C20 | O3 | C23 | H20 | 35.7° | 60.0° |
| C20 | O3 | C23 | H21 | 82.3° | 60.0° |
| O3 | C23 | C24 | H20 | 121.0° | 120.0° |
| O3 | C23 | C24 | H21 | 121.0° | 120.0° |
| O3 | C23 | C24 | C27 | 136.0° | 179.9° |
| O3 | C23 | C24 | C25 | 106.6° | 66.5° |
| O3 | C23 | C24 | H8 | 20.0° | 56.6° |
| O3 | C23 | H20 | H21 | 116.8° | 120.0° |
| C23 | C24 | C27 | C25 | 125.6° | 118.4° |
| C23 | C24 | C27 | H8 | 115.1° | 123.1° |
| C23 | C24 | C27 | N2 | 102.0° | 140.7° |
| C23 | C24 | C25 | H8 | 125.2° | 123.0° |
| C23 | C24 | C25 | C26 | 84.1° | 154.2° |
| C24 | C23 | H20 | H21 | 116.8° | 119.9° |
| C23 | C24 | C25 | H22 | 35.0° | 36.1° |
| C23 | C24 | C25 | H23 | 156.7° | 87.7° |
| C23 | C24 | C27 | H24 | 138.8° | 99.9° |
| C23 | C24 | C27 | H25 | 17.2° | 21.4° |
| C24 | C27 | N2 | H24 | 119.2° | 119.3° |
| C24 | C27 | N2 | H25 | 119.2° | 119.4° |
| C27 | C24 | C25 | H8 | 118.2° | 118.4° |
| C24 | C27 | N2 | C28 | 121.8° | 123.3° |
| C24 | C27 | N2 | C26 | 4.0° | 1.0° |
| C27 | C24 | C25 | C26 | 32.5° | 35.7° |
| C27 | C24 | C23 | H20 | 15.0° | 60.1° |
| C27 | C24 | C23 | H21 | 103.0° | 59.8° |
| C27 | C24 | C25 | H22 | 151.6° | 82.4° |
| C27 | C24 | C25 | H23 | 86.7° | 153.7° |
| C24 | C27 | H24 | H25 | 122.3° | 121.1° |
| N2 | C27 | C24 | C25 | 23.6° | 22.3° |
| C27 | N2 | C28 | C26 | 119.9° | 120.9° |
| C27 | N2 | C28 | C29 | 66.2° | 170.0° |
| C27 | N2 | C26 | C25 | 15.4° | 24.1° |
| N2 | C27 | C24 | H8 | 142.9° | 96.1° |
| C27 | N2 | C26 | H9 | 134.6° | 142.9° |
| C27 | N2 | C26 | H10 | 103.8° | 94.8° |
| C27 | N2 | C28 | H11 | 173.2° | 50.0° |
| C27 | N2 | C28 | H12 | 54.4° | 70.0° |
| N2 | C27 | H24 | H25 | 122.3° | 121.2° |
| C24 | C25 | C26 | N2 | 30.0° | 37.1° |
| C24 | C25 | C26 | H22 | 119.1° | 118.1° |
| C24 | C25 | C26 | H23 | 119.1° | 118.1° |
| C24 | C25 | C26 | H9 | 149.2° | 155.9° |
| C24 | C25 | C26 | H10 | 89.2° | 81.9° |
| C25 | C24 | C23 | H20 | 132.3° | 53.6° |
| C25 | C24 | C23 | H21 | 14.4° | 173.5° |
| C24 | C25 | H22 | H23 | 122.6° | 123.9° |
| C25 | C24 | C27 | H24 | 95.6° | 141.7° |
| C25 | C24 | C27 | H25 | 142.8° | 97.1° |
| N2 | C28 | C29 | H11 | 120.6° | 120.0° |
| N2 | C28 | C29 | H12 | 120.6° | 120.0° |
| C28 | N2 | C26 | C25 | 103.9° | 146.4° |
| C28 | N2 | C26 | H9 | 15.3° | 94.8° |
| C28 | N2 | C26 | H10 | 136.9° | 27.5° |
| N2 | C28 | H11 | H12 | 118.0° | 119.9° |
| C28 | N2 | C27 | H24 | 2.6° | 3.9° |
| C28 | N2 | C27 | H25 | 119.0° | 117.4° |
| N2 | C28 | C29 | H26 | 180.0° | 60.0° |
| N2 | C28 | C29 | H27 | 60.0° | 60.0° |
| N2 | C28 | C29 | H28 | 60.0° | 180.0° |
| C26 | N2 | C28 | C29 | 173.9° | 69.1° |
| N2 | C26 | C25 | H9 | 119.2° | 118.9° |
| N2 | C26 | C25 | H10 | 119.2° | 118.9° |
| N2 | C26 | H9 | H10 | 122.3° | 122.4° |
| C26 | N2 | C28 | H11 | 53.2° | 170.9° |
| C26 | N2 | C28 | H12 | 65.5° | 50.9° |
| N2 | C26 | C25 | H22 | 149.1° | 81.1° |
| N2 | C26 | C25 | H23 | 89.1° | 155.2° |
| C26 | N2 | C27 | H24 | 115.3° | 118.4° |
| C26 | N2 | C27 | H25 | 123.2° | 120.3° |
| C29 | C28 | H11 | H12 | 118.0° | 120.1° |
| C28 | C29 | H26 | H27 | 120.0° | 120.0° |
| C28 | C29 | H26 | H28 | 120.0° | 120.0° |
| C28 | C29 | H27 | H28 | 120.0° | 119.9° |
| C26 | C25 | C24 | H8 | 150.7° | 82.8° |
| C25 | C26 | H9 | H10 | 122.3° | 122.2° |
| C26 | C25 | H22 | H23 | 122.6° | 123.8° |
| H4 | C13 | C12 | H14 | 0.3° | 0.2° |
| H4 | C13 | C14 | H15 | 1.0° | 0.3° |
| H5 | C15 | C14 | H15 | 0.6° | 0.3° |
| H5 | C15 | C16 | H16 | 0.9° | 0.1° |
| H6 | C21 | C22 | H7 | 0.1° | 0.1° |
| H8 | C24 | C23 | H20 | 101.0° | 176.7° |
| H8 | C24 | C23 | H21 | 141.0° | 63.4° |
| H8 | C24 | C25 | H22 | 90.2° | 159.1° |
| H8 | C24 | C25 | H23 | 31.5° | 35.3° |
| H8 | C24 | C27 | H24 | 23.7° | 23.3° |
| H8 | C24 | C27 | H25 | 97.9° | 144.5° |
| H9 | C26 | C25 | H22 | 91.7° | 37.8° |
| H9 | C26 | C25 | H23 | 30.1° | 86.0° |
| H10 | C26 | C25 | H22 | 29.9° | 160.0° |
| H10 | C26 | C25 | H23 | 151.6° | 36.2° |
| H11 | C28 | C29 | H26 | 59.4° | 60.0° |
| H11 | C28 | C29 | H27 | 179.4° | 180.0° |
| H11 | C28 | C29 | H28 | 60.7° | 60.0° |
| H12 | C28 | C29 | H26 | 59.4° | 180.0° |
| H12 | C28 | C29 | H27 | 60.6° | 59.9° |
| H12 | C28 | C29 | H28 | 179.4° | 60.0° |
| H13 | C1 | C2 | H19 | 0.3° | 0.0° |
| H17 | C18 | C19 | H18 | 0.4° | 0.0° |
| H26 | C29 | H27 | H28 | 120.0° | 120.0° |
| H29 | C30 | C31 | H31 | 0.1° | 145.1° |
| H29 | C30 | C31 | H32 | 139.9° | 0.0° |
| H30 | C30 | C31 | H31 | 139.9° | 0.1° |
| H30 | C30 | C31 | H32 | 0.1° | 145.0° |
