TS7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C8 | sing | 1.47Å | 1.44Å | |
| N1 | C10 | sing | 1.35Å | 1.42Å | |
| N1 | C9 | sing | 1.47Å | 1.44Å | |
| C4 | C5 | doub | 1.39Å | 1.51Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.32Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.29Å | Aromatic |
| C5 | C7 | sing | 1.50Å | 1.49Å | |
| C6 | C1 | doub | 1.39Å | 1.50Å | Aromatic |
| C6 | C9 | sing | 1.51Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.50Å | |
| C8 | C18 | sing | 1.52Å | 1.54Å | |
| C8 | C19 | sing | 1.53Å | 1.55Å | |
| C10 | C11 | sing | 1.48Å | 1.52Å | |
| C10 | O1 | doub | 1.22Å | 1.11Å | |
| C13 | C12 | doub | 1.38Å | 1.30Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.47Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.26Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.51Å | Aromatic |
| C15 | O3 | sing | 1.36Å | 1.42Å | |
| C17 | C12 | sing | 1.38Å | 1.50Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.31Å | Aromatic |
| C20 | C21 | sing | 1.54Å | 1.36Å | |
| C20 | C22 | sing | 1.54Å | 1.38Å | |
| C20 | O3 | sing | 1.43Å | 1.45Å | |
| C21 | N2 | sing | 1.48Å | 1.39Å | |
| C22 | N2 | sing | 1.48Å | 1.35Å | |
| C24 | C23 | sing | 1.53Å | 1.58Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C26 | C11 | doub | 1.40Å | 1.28Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.49Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.29Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.49Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.26Å | Aromatic |
| C11 | C30 | sing | 1.40Å | 1.53Å | Aromatic |
| C12 | C9 | sing | 1.51Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.47Å | |
| C2 | C3 | doub | 1.39Å | 1.49Å | Aromatic |
| C23 | N2 | sing | 1.47Å | 1.09Å | |
| C29 | C30 | doub | 1.38Å | 1.28Å | Aromatic |
| C3 | O2 | sing | 1.36Å | 1.34Å | |
| 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 | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.08Å | 1.08Å | |
| C28 | H14 | sing | 1.08Å | 1.08Å | |
| C1 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C9 | H31 | sing | 1.09Å | 1.10Å | |
| O2 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | N1 | C10 | 125.7° | 121.6° |
| C8 | N1 | C9 | 117.4° | 116.7° |
| N1 | C8 | C7 | 115.4° | 113.6° |
| N1 | C8 | C18 | 127.0° | 118.0° |
| N1 | C8 | C19 | 118.1° | 118.0° |
| C10 | N1 | C9 | 116.8° | 121.6° |
| N1 | C10 | C11 | 121.2° | 120.0° |
| N1 | C10 | O1 | 119.4° | 120.0° |
| N1 | C9 | C6 | 107.1° | 110.4° |
| N1 | C9 | C12 | 114.1° | 109.3° |
| N1 | C9 | H31 | 108.8° | 109.3° |
| C5 | C4 | C3 | 118.0° | 120.6° |
| C4 | C5 | C6 | 122.6° | 119.7° |
| C4 | C5 | C7 | 115.0° | 117.0° |
| C5 | C4 | H1 | 121.0° | 119.7° |
| C4 | C3 | C2 | 119.2° | 119.5° |
| C4 | C3 | O2 | 123.2° | 120.2° |
| C3 | C4 | H1 | 121.0° | 119.6° |
| C6 | C5 | C7 | 122.3° | 123.3° |
| C5 | C6 | C1 | 117.2° | 119.6° |
| C5 | C6 | C9 | 127.8° | 123.4° |
| C5 | C7 | C8 | 109.1° | 110.3° |
| C5 | C7 | H2 | 109.6° | 109.4° |
| C5 | C7 | H3 | 109.6° | 109.4° |
| C1 | C6 | C9 | 114.8° | 117.0° |
| C6 | C1 | C2 | 121.8° | 120.8° |
| C6 | C1 | H15 | 119.1° | 119.6° |
| C6 | C9 | C12 | 110.8° | 109.3° |
| C6 | C9 | H31 | 107.8° | 109.3° |
| C7 | C8 | C18 | 112.4° | 118.6° |
| C7 | C8 | C19 | 113.7° | 118.5° |
| C8 | C7 | H2 | 109.6° | 109.6° |
| C8 | C7 | H3 | 109.6° | 108.9° |
| C18 | C8 | C19 | 56.9° | 60.3° |
| C8 | C18 | C19 | 62.0° | 59.9° |
| C8 | C18 | H18 | 119.7° | 117.5° |
| C8 | C18 | H19 | 119.6° | 117.5° |
| C8 | C19 | C18 | 61.1° | 59.9° |
| C8 | C19 | H20 | 119.8° | 117.6° |
| C8 | C19 | H21 | 119.8° | 117.5° |
| C11 | C10 | O1 | 119.0° | 120.0° |
| C10 | C11 | C26 | 125.5° | 120.1° |
| C10 | C11 | C30 | 111.9° | 120.1° |
| C12 | C13 | C14 | 118.7° | 120.0° |
| C13 | C12 | C17 | 122.3° | 120.1° |
| C13 | C12 | C9 | 118.2° | 119.9° |
| C12 | C13 | H4 | 120.7° | 119.9° |
| C13 | C14 | C15 | 120.1° | 120.0° |
| C14 | C13 | H4 | 120.6° | 120.0° |
| C13 | C14 | H16 | 120.0° | 120.0° |
| C14 | C15 | C16 | 122.5° | 119.9° |
| C14 | C15 | O3 | 114.2° | 120.1° |
| C15 | C14 | H16 | 120.0° | 120.0° |
| C16 | C15 | O3 | 123.1° | 120.0° |
| C15 | C16 | C17 | 117.9° | 119.9° |
| C15 | C16 | H17 | 121.1° | 120.0° |
| C15 | O3 | C20 | 108.5° | 117.0° |
| C12 | C17 | C16 | 118.5° | 120.1° |
| C17 | C12 | C9 | 119.5° | 120.0° |
| C12 | C17 | H5 | 120.8° | 119.9° |
| C16 | C17 | H5 | 120.7° | 120.0° |
| C17 | C16 | H17 | 121.0° | 120.1° |
| C21 | C20 | C22 | 100.7° | 86.3° |
| C21 | C20 | O3 | 108.7° | 113.8° |
| C20 | C21 | N2 | 79.0° | 86.2° |
| C21 | C20 | H6 | 112.5° | 113.7° |
| C20 | C21 | H7 | 116.4° | 113.7° |
| C20 | C21 | H8 | 116.5° | 113.7° |
| C22 | C20 | O3 | 111.5° | 113.8° |
| C20 | C22 | N2 | 79.5° | 86.2° |
| C22 | C20 | H6 | 112.1° | 113.7° |
| C20 | C22 | H9 | 116.3° | 113.8° |
| C20 | C22 | H10 | 116.4° | 113.7° |
| O3 | C20 | H6 | 110.9° | 113.0° |
| C21 | N2 | C22 | 100.5° | 90.8° |
| C21 | N2 | C23 | 120.8° | 111.0° |
| N2 | C21 | H7 | 116.5° | 113.8° |
| N2 | C21 | H8 | 116.5° | 113.8° |
| C22 | N2 | C23 | 105.8° | 111.0° |
| N2 | C22 | H9 | 116.3° | 113.7° |
| N2 | C22 | H10 | 116.3° | 113.7° |
| C23 | C24 | C25 | 112.6° | 109.4° |
| C24 | C23 | N2 | 105.5° | 109.4° |
| C23 | C24 | H11 | 108.7° | 109.5° |
| C23 | C24 | H12 | 108.7° | 109.5° |
| C24 | C23 | H23 | 110.4° | 109.5° |
| C24 | C23 | H24 | 110.4° | 109.5° |
| C25 | C24 | H11 | 108.7° | 109.5° |
| C25 | C24 | H12 | 108.7° | 109.5° |
| C24 | C25 | H25 | 109.5° | 109.5° |
| C24 | C25 | H26 | 109.5° | 109.5° |
| C24 | C25 | H27 | 109.5° | 109.5° |
| C11 | C26 | C27 | 115.0° | 119.8° |
| C26 | C11 | C30 | 122.2° | 119.8° |
| C11 | C26 | H13 | 122.5° | 120.1° |
| C26 | C27 | C28 | 123.3° | 120.1° |
| C27 | C26 | H13 | 122.5° | 120.0° |
| C26 | C27 | H28 | 118.4° | 119.9° |
| C27 | C28 | C29 | 121.6° | 120.3° |
| C27 | C28 | H14 | 119.2° | 119.8° |
| C28 | C27 | H28 | 118.3° | 119.9° |
| C28 | C29 | C30 | 116.0° | 120.2° |
| C29 | C28 | H14 | 119.2° | 119.9° |
| C28 | C29 | H29 | 122.0° | 119.9° |
| C1 | C2 | C3 | 121.2° | 119.7° |
| C2 | C1 | H15 | 119.1° | 119.6° |
| C1 | C2 | H22 | 119.4° | 120.2° |
| C11 | C30 | C29 | 121.8° | 119.8° |
| C11 | C30 | H30 | 119.1° | 120.1° |
| C12 | C9 | H31 | 107.9° | 109.2° |
| C19 | C18 | H18 | 119.6° | 117.5° |
| C19 | C18 | H19 | 119.7° | 117.5° |
| C18 | C19 | H20 | 119.8° | 117.5° |
| C18 | C19 | H21 | 119.8° | 117.5° |
| C2 | C3 | O2 | 117.7° | 120.2° |
| C3 | C2 | H22 | 119.4° | 120.1° |
| N2 | C23 | H23 | 110.5° | 109.5° |
| N2 | C23 | H24 | 110.4° | 109.4° |
| C30 | C29 | H29 | 122.0° | 119.9° |
| C29 | C30 | H30 | 119.1° | 120.1° |
| C3 | O2 | H33 | 109.5° | 114.0° |
| H2 | C7 | H3 | 109.5° | 109.3° |
| H7 | C21 | H8 | 109.5° | 113.0° |
| H9 | C22 | H10 | 109.5° | 113.0° |
| H11 | C24 | H12 | 109.5° | 109.5° |
| H18 | C18 | H19 | 109.5° | 115.5° |
| H20 | C19 | H21 | 109.5° | 115.6° |
| H23 | C23 | H24 | 109.5° | 109.5° |
| H25 | C25 | H26 | 109.5° | 109.5° |
| H25 | C25 | H27 | 109.4° | 109.5° |
| H26 | C25 | H27 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | N1 | C10 | C9 | 177.5° | 179.8° |
| N1 | C8 | C7 | C5 | 40.0° | 40.6° |
| C8 | N1 | C9 | C6 | 39.2° | 41.4° |
| N1 | C8 | C7 | C18 | 156.5° | 145.2° |
| N1 | C8 | C7 | C19 | 141.2° | 145.1° |
| N1 | C8 | C18 | C19 | 102.3° | 108.0° |
| C8 | N1 | C10 | C11 | 10.8° | 174.9° |
| C8 | N1 | C10 | O1 | 176.1° | 5.1° |
| C8 | N1 | C9 | C12 | 83.9° | 78.9° |
| N1 | C8 | C7 | H2 | 160.0° | 161.1° |
| N1 | C8 | C7 | H3 | 79.9° | 79.4° |
| N1 | C8 | C18 | H18 | 147.7° | 144.6° |
| N1 | C8 | C18 | H19 | 7.7° | 0.5° |
| N1 | C8 | C19 | H20 | 8.0° | 0.6° |
| N1 | C8 | C19 | H21 | 132.4° | 144.6° |
| C8 | N1 | C9 | H31 | 155.5° | 161.7° |
| C10 | N1 | C9 | C6 | 143.1° | 138.4° |
| C10 | N1 | C8 | C7 | 126.8° | 122.5° |
| C10 | N1 | C8 | C18 | 25.8° | 22.9° |
| C10 | N1 | C8 | C19 | 93.8° | 92.2° |
| N1 | C10 | C11 | O1 | 173.1° | 180.0° |
| N1 | C10 | C11 | C26 | 124.8° | 123.1° |
| N1 | C10 | C11 | C30 | 62.2° | 56.9° |
| C10 | N1 | C9 | C12 | 93.9° | 101.3° |
| C10 | N1 | C9 | H31 | 26.7° | 18.1° |
| N1 | C9 | C6 | C5 | 15.9° | 14.6° |
| N1 | C9 | C6 | C1 | 168.2° | 166.2° |
| N1 | C9 | C6 | C12 | 125.0° | 120.3° |
| N1 | C9 | C6 | H31 | 117.0° | 120.3° |
| C9 | N1 | C8 | C7 | 55.7° | 57.3° |
| C9 | N1 | C8 | C18 | 151.8° | 157.3° |
| C9 | N1 | C8 | C19 | 83.7° | 88.0° |
| C9 | N1 | C10 | C11 | 171.6° | 4.9° |
| C9 | N1 | C10 | O1 | 1.4° | 175.1° |
| N1 | C9 | C12 | C13 | 84.3° | 61.3° |
| N1 | C9 | C12 | C17 | 96.6° | 118.6° |
| N1 | C9 | C12 | H31 | 121.1° | 119.5° |
| C5 | C4 | C3 | H1 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 175.8° | 178.9° |
| C4 | C5 | C6 | C1 | 1.8° | 1.2° |
| C4 | C5 | C6 | C9 | 177.7° | 177.9° |
| C4 | C5 | C7 | C8 | 166.6° | 165.4° |
| C5 | C4 | C3 | C2 | 1.1° | 0.0° |
| C5 | C4 | C3 | O2 | 177.3° | 179.9° |
| C4 | C5 | C7 | H2 | 46.7° | 44.8° |
| C4 | C5 | C7 | H3 | 73.4° | 74.9° |
| C3 | C4 | C5 | C6 | 2.4° | 0.8° |
| C3 | C4 | C5 | C7 | 178.5° | 178.2° |
| C4 | C3 | C2 | C1 | 0.6° | 0.4° |
| C4 | C3 | C2 | O2 | 178.5° | 180.0° |
| C4 | C3 | C2 | H22 | 179.4° | 179.7° |
| C4 | C3 | O2 | H33 | 180.0° | 90.0° |
| C5 | C6 | C1 | C9 | 176.4° | 179.2° |
| C6 | C5 | C7 | C8 | 17.2° | 15.7° |
| C5 | C6 | C1 | C2 | 0.1° | 0.8° |
| C5 | C6 | C9 | C12 | 109.1° | 105.7° |
| C6 | C5 | C4 | H1 | 177.6° | 179.2° |
| C6 | C5 | C7 | H2 | 137.2° | 136.3° |
| C6 | C5 | C7 | H3 | 102.7° | 104.0° |
| C5 | C6 | C1 | H15 | 179.9° | 179.2° |
| C5 | C6 | C9 | H31 | 132.9° | 134.9° |
| C7 | C5 | C6 | C1 | 177.7° | 177.7° |
| C7 | C5 | C6 | C9 | 6.5° | 3.2° |
| C5 | C7 | C8 | H2 | 120.0° | 120.5° |
| C5 | C7 | C8 | H3 | 120.0° | 120.0° |
| C5 | C7 | C8 | C18 | 163.5° | 174.2° |
| C5 | C7 | C8 | C19 | 101.1° | 104.5° |
| C7 | C5 | C4 | H1 | 1.5° | 1.8° |
| C5 | C7 | H2 | H3 | 120.2° | 119.7° |
| C6 | C1 | C2 | H15 | 180.0° | 180.0° |
| C1 | C6 | C9 | C12 | 66.8° | 73.5° |
| C6 | C1 | C2 | C3 | 1.1° | 0.0° |
| C6 | C1 | C2 | H22 | 178.9° | 179.9° |
| C1 | C6 | C9 | H31 | 51.2° | 45.9° |
| C6 | C9 | C12 | C13 | 36.7° | 59.7° |
| C6 | C9 | C12 | C17 | 142.4° | 120.4° |
| C9 | C6 | C1 | C2 | 176.5° | 178.4° |
| C6 | C9 | C12 | H31 | 117.9° | 119.5° |
| C9 | C6 | C1 | H15 | 3.5° | 1.7° |
| C7 | C8 | C18 | C19 | 104.5° | 108.4° |
| C8 | C7 | H2 | H3 | 120.1° | 119.3° |
| C7 | C8 | C18 | H18 | 5.5° | 0.9° |
| C7 | C8 | C18 | H19 | 145.5° | 144.1° |
| C7 | C8 | C19 | H20 | 148.0° | 144.1° |
| C7 | C8 | C19 | H21 | 7.6° | 1.0° |
| C8 | C18 | C19 | H18 | 110.0° | 107.5° |
| C8 | C18 | C19 | H19 | 110.0° | 107.5° |
| C18 | C8 | C7 | H2 | 43.5° | 53.7° |
| C18 | C8 | C7 | H3 | 76.6° | 65.8° |
| C8 | C18 | H18 | H19 | 143.7° | 145.8° |
| C18 | C8 | C19 | H20 | 109.8° | 107.4° |
| C18 | C8 | C19 | H21 | 109.8° | 107.4° |
| C19 | C8 | C7 | H2 | 18.8° | 16.0° |
| C19 | C8 | C7 | H3 | 138.9° | 135.5° |
| C8 | C19 | H20 | H21 | 144.1° | 145.8° |
| C10 | C11 | C26 | C30 | 172.3° | 180.0° |
| C10 | C11 | C26 | C27 | 176.5° | 180.0° |
| C10 | C11 | C30 | C29 | 175.0° | 180.0° |
| C10 | C11 | C26 | H13 | 3.5° | 0.3° |
| C10 | C11 | C30 | H30 | 5.0° | 0.0° |
| O1 | C10 | C11 | C26 | 62.1° | 56.8° |
| O1 | C10 | C11 | C30 | 110.9° | 123.1° |
| C12 | C13 | C14 | H4 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 3.5° | 0.0° |
| C13 | C12 | C17 | C9 | 179.1° | 179.9° |
| C13 | C12 | C17 | C16 | 0.3° | 0.0° |
| C13 | C12 | C17 | H5 | 179.7° | 179.9° |
| C12 | C13 | C14 | H16 | 176.5° | 180.0° |
| C13 | C12 | C9 | H31 | 154.6° | 179.2° |
| C13 | C14 | C15 | H16 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 3.0° | 0.0° |
| C13 | C14 | C15 | O3 | 177.9° | 180.0° |
| C14 | C13 | C12 | C17 | 2.1° | 0.0° |
| C14 | C13 | C12 | C9 | 178.8° | 180.0° |
| C14 | C15 | C16 | O3 | 174.5° | 180.0° |
| C14 | C15 | C16 | C17 | 1.1° | 0.0° |
| C14 | C15 | O3 | C20 | 95.1° | 2.3° |
| C15 | C14 | C13 | H4 | 176.5° | 179.7° |
| C14 | C15 | C16 | H17 | 178.9° | 179.9° |
| C15 | C16 | C17 | C12 | 0.4° | 0.0° |
| C15 | C16 | C17 | H17 | 180.0° | 180.0° |
| C16 | C15 | O3 | C20 | 90.0° | 177.7° |
| C15 | C16 | C17 | H5 | 179.6° | 179.9° |
| C16 | C15 | C14 | H16 | 177.0° | 180.0° |
| O3 | C15 | C16 | C17 | 175.6° | 180.0° |
| C15 | O3 | C20 | C21 | 98.5° | 157.2° |
| C15 | O3 | C20 | C22 | 151.3° | 106.0° |
| C15 | O3 | C20 | H6 | 25.6° | 25.6° |
| O3 | C15 | C14 | H16 | 2.0° | 0.0° |
| O3 | C15 | C16 | H17 | 4.4° | 0.0° |
| C12 | C17 | C16 | H5 | 180.0° | 179.9° |
| C17 | C12 | C13 | H4 | 177.9° | 179.7° |
| C12 | C17 | C16 | H17 | 179.6° | 179.9° |
| C17 | C12 | C9 | H31 | 24.5° | 0.9° |
| C16 | C17 | C12 | C9 | 179.3° | 180.0° |
| C21 | C20 | C22 | O3 | 115.2° | 114.4° |
| C21 | C20 | C22 | H6 | 119.8° | 114.4° |
| C21 | C20 | O3 | H6 | 124.1° | 131.6° |
| C20 | C21 | N2 | H7 | 114.2° | 114.3° |
| C20 | C21 | N2 | H8 | 114.2° | 114.3° |
| C21 | C20 | C22 | N2 | 4.5° | 23.7° |
| C20 | C21 | N2 | C23 | 120.1° | 137.6° |
| C20 | C21 | H7 | H8 | 134.7° | 131.7° |
| C21 | C20 | C22 | H9 | 109.8° | 90.6° |
| C21 | C20 | C22 | H10 | 118.8° | 138.0° |
| C22 | C20 | O3 | H6 | 125.7° | 131.6° |
| C20 | C22 | N2 | H9 | 114.3° | 114.4° |
| C20 | C22 | N2 | H10 | 114.3° | 114.3° |
| C20 | C22 | N2 | C23 | 130.8° | 137.6° |
| C22 | C20 | C21 | H7 | 118.6° | 138.1° |
| C22 | C20 | C21 | H8 | 109.8° | 90.6° |
| C20 | C22 | H9 | H10 | 134.5° | 131.8° |
| O3 | C20 | C21 | N2 | 112.9° | 90.6° |
| O3 | C20 | C22 | N2 | 110.7° | 90.6° |
| O3 | C20 | C21 | H7 | 1.3° | 23.7° |
| O3 | C20 | C21 | H8 | 132.9° | 155.0° |
| O3 | C20 | C22 | H9 | 135.0° | 155.1° |
| O3 | C20 | C22 | H10 | 3.6° | 23.6° |
| C21 | N2 | C22 | C23 | 126.4° | 112.9° |
| C21 | N2 | C23 | C24 | 145.9° | 170.0° |
| N2 | C21 | C20 | H6 | 123.9° | 138.1° |
| N2 | C21 | H7 | H8 | 134.8° | 131.7° |
| C21 | N2 | C22 | H9 | 109.9° | 89.7° |
| C21 | N2 | C22 | H10 | 118.7° | 139.0° |
| C21 | N2 | C23 | H23 | 94.7° | 70.0° |
| C21 | N2 | C23 | H24 | 26.6° | 50.0° |
| C22 | N2 | C23 | C24 | 101.2° | 90.7° |
| N2 | C22 | C20 | H6 | 124.2° | 138.1° |
| C22 | N2 | C21 | H7 | 118.7° | 139.0° |
| C22 | N2 | C21 | H8 | 109.7° | 89.6° |
| N2 | C22 | H9 | H10 | 134.5° | 131.7° |
| C22 | N2 | C23 | H23 | 18.1° | 29.3° |
| C22 | N2 | C23 | H24 | 139.4° | 149.3° |
| C23 | C24 | C25 | H11 | 120.4° | 120.0° |
| C23 | C24 | C25 | H12 | 120.5° | 120.0° |
| C24 | C23 | N2 | H23 | 119.4° | 120.0° |
| C24 | C23 | N2 | H24 | 119.4° | 120.0° |
| C23 | C24 | H11 | H12 | 118.6° | 120.0° |
| C24 | C23 | H23 | H24 | 121.8° | 120.1° |
| C23 | C24 | C25 | H25 | 180.0° | 180.0° |
| C23 | C24 | C25 | H26 | 60.0° | 60.0° |
| C23 | C24 | C25 | H27 | 60.0° | 60.0° |
| C25 | C24 | C23 | N2 | 173.8° | 180.0° |
| C25 | C24 | H11 | H12 | 118.6° | 120.1° |
| C25 | C24 | C23 | H23 | 66.8° | 60.0° |
| C25 | C24 | C23 | H24 | 54.5° | 60.0° |
| C24 | C25 | H25 | H26 | 120.0° | 120.1° |
| C24 | C25 | H25 | H27 | 120.0° | 120.0° |
| C24 | C25 | H26 | H27 | 120.0° | 120.0° |
| C11 | C26 | C27 | H13 | 180.0° | 179.7° |
| C11 | C26 | C27 | C28 | 3.4° | 0.0° |
| C26 | C11 | C30 | C29 | 1.8° | 0.0° |
| C11 | C26 | C27 | H28 | 176.6° | 180.0° |
| C26 | C11 | C30 | H30 | 178.3° | 180.0° |
| C26 | C27 | C28 | H28 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.1° | 0.0° |
| C27 | C26 | C11 | C30 | 4.2° | 0.0° |
| C26 | C27 | C28 | H14 | 179.9° | 180.0° |
| C27 | C28 | C29 | H14 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 2.7° | 0.0° |
| C28 | C27 | C26 | H13 | 176.6° | 179.7° |
| C27 | C28 | C29 | H29 | 177.3° | 180.0° |
| C28 | C29 | C30 | C11 | 1.9° | 0.0° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C29 | C28 | C27 | H28 | 179.9° | 180.0° |
| C28 | C29 | C30 | H30 | 178.1° | 180.0° |
| C1 | C2 | C3 | H22 | 180.0° | 179.9° |
| C1 | C2 | C3 | O2 | 179.0° | 179.5° |
| C11 | C30 | C29 | H30 | 180.0° | 180.0° |
| C30 | C11 | C26 | H13 | 175.8° | 179.7° |
| C11 | C30 | C29 | H29 | 178.1° | 180.0° |
| C9 | C12 | C13 | H4 | 1.2° | 0.3° |
| C9 | C12 | C17 | H5 | 0.6° | 0.0° |
| C19 | C18 | H18 | H19 | 143.7° | 145.7° |
| C18 | C19 | H20 | H21 | 144.2° | 145.7° |
| C2 | C3 | C4 | H1 | 178.9° | 179.9° |
| C3 | C2 | C1 | H15 | 178.9° | 180.0° |
| C2 | C3 | O2 | H33 | 1.6° | 90.0° |
| C23 | N2 | C21 | H7 | 125.7° | 108.1° |
| C23 | N2 | C21 | H8 | 5.9° | 23.3° |
| C23 | N2 | C22 | H9 | 16.5° | 23.2° |
| C23 | N2 | C22 | H10 | 114.8° | 108.1° |
| N2 | C23 | C24 | H11 | 65.7° | 60.0° |
| N2 | C23 | C24 | H12 | 53.4° | 60.0° |
| N2 | C23 | H23 | H24 | 121.8° | 120.0° |
| C30 | C29 | C28 | H14 | 177.3° | 180.0° |
| O2 | C3 | C4 | H1 | 2.7° | 0.1° |
| O2 | C3 | C2 | H22 | 0.9° | 0.4° |
| H4 | C13 | C14 | H16 | 3.5° | 0.3° |
| H5 | C17 | C16 | H17 | 0.4° | 0.1° |
| H6 | C20 | C21 | H7 | 121.9° | 107.6° |
| H6 | C20 | C21 | H8 | 9.7° | 23.8° |
| H6 | C20 | C22 | H9 | 9.9° | 23.8° |
| H6 | C20 | C22 | H10 | 121.4° | 107.6° |
| H11 | C24 | C23 | H23 | 53.7° | 60.0° |
| H11 | C24 | C23 | H24 | 174.9° | 180.0° |
| H11 | C24 | C25 | H25 | 59.5° | 60.0° |
| H11 | C24 | C25 | H26 | 179.5° | 179.9° |
| H11 | C24 | C25 | H27 | 60.4° | 60.0° |
| H12 | C24 | C23 | H23 | 172.7° | 180.0° |
| H12 | C24 | C23 | H24 | 66.0° | 60.0° |
| H12 | C24 | C25 | H25 | 59.5° | 60.0° |
| H12 | C24 | C25 | H26 | 60.5° | 60.0° |
| H12 | C24 | C25 | H27 | 179.5° | 180.0° |
| H13 | C26 | C27 | H28 | 3.4° | 0.3° |
| H14 | C28 | C27 | H28 | 0.1° | 0.0° |
| H14 | C28 | C29 | H29 | 2.7° | 0.0° |
| H15 | C1 | C2 | H22 | 1.2° | 0.1° |
| H18 | C18 | C19 | H20 | 140.2° | 145.0° |
| H18 | C18 | C19 | H21 | 0.2° | 0.0° |
| H19 | C18 | C19 | H20 | 0.2° | 0.0° |
| H19 | C18 | C19 | H21 | 140.2° | 145.1° |
| H25 | C25 | H26 | H27 | 120.0° | 119.9° |
| H29 | C29 | C30 | H30 | 1.9° | 0.0° |
