T0B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | doub | 1.35Å | 1.37Å | Aromatic |
| C22 | C21 | sing | 1.40Å | 1.41Å | Aromatic |
| C23 | O4 | sing | 1.34Å | 1.36Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| O4 | C20 | sing | 1.35Å | 1.37Å | Aromatic |
| C21 | C20 | doub | 1.36Å | 1.35Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C20 | C1 | sing | 1.47Å | 1.46Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C15 | N1 | sing | 1.47Å | 1.49Å | |
| C1 | O1 | doub | 1.22Å | 1.23Å | |
| C1 | N1 | sing | 1.35Å | 1.37Å | |
| C19 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | N2 | sing | 1.47Å | 1.47Å | |
| N1 | C2 | sing | 1.47Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| N4 | C5 | sing | 1.38Å | 1.34Å | |
| N2 | C3 | sing | 1.47Å | 1.47Å | |
| N2 | C4 | sing | 1.38Å | 1.40Å | |
| N3 | C5 | doub | 1.33Å | 1.34Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.33Å | Aromatic |
| C5 | C6 | sing | 1.42Å | 1.44Å | Aromatic |
| C4 | N5 | doub | 1.32Å | 1.36Å | Aromatic |
| N5 | C13 | sing | 1.34Å | 1.37Å | Aromatic |
| C6 | C13 | doub | 1.42Å | 1.42Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.41Å | Aromatic |
| C7 | C8 | doub | 1.37Å | 1.37Å | Aromatic |
| C12 | C10 | doub | 1.38Å | 1.36Å | Aromatic |
| C8 | C10 | sing | 1.40Å | 1.43Å | Aromatic |
| C8 | O2 | sing | 1.36Å | 1.36Å | |
| C9 | O2 | sing | 1.43Å | 1.42Å | |
| C10 | O3 | sing | 1.36Å | 1.36Å | |
| O3 | C11 | sing | 1.43Å | 1.42Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| N4 | H6 | sing | 0.97Å | 1.00Å | |
| N4 | H5 | sing | 0.97Å | 1.00Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.08Å | 1.08Å | |
| C22 | H26 | sing | 1.08Å | 1.08Å | |
| C23 | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C21 | 106.3° | 107.1° |
| C22 | C23 | O4 | 109.8° | 108.7° |
| C23 | C22 | H26 | 126.9° | 126.4° |
| C22 | C23 | H27 | 125.1° | 125.7° |
| C22 | C21 | C20 | 107.2° | 106.7° |
| C22 | C21 | H25 | 126.4° | 126.6° |
| C21 | C22 | H26 | 126.9° | 126.5° |
| C23 | O4 | C20 | 107.0° | 109.4° |
| O4 | C23 | H27 | 125.1° | 125.6° |
| C16 | C17 | C18 | 111.7° | 109.4° |
| C17 | C16 | C15 | 111.9° | 109.7° |
| C17 | C16 | H18 | 108.9° | 109.5° |
| C17 | C16 | H17 | 108.9° | 109.4° |
| C16 | C17 | H19 | 108.9° | 109.5° |
| C16 | C17 | H20 | 108.9° | 109.5° |
| C17 | C18 | C19 | 110.4° | 108.6° |
| C18 | C17 | H19 | 108.9° | 109.5° |
| C18 | C17 | H20 | 108.9° | 109.5° |
| C17 | C18 | H21 | 109.3° | 109.5° |
| C17 | C18 | H22 | 109.2° | 109.5° |
| C16 | C15 | C14 | 113.3° | 109.6° |
| C16 | C15 | N1 | 111.8° | 108.2° |
| C16 | C15 | H16 | 107.1° | 110.6° |
| C15 | C16 | H18 | 108.9° | 109.4° |
| C15 | C16 | H17 | 108.9° | 109.4° |
| O4 | C20 | C21 | 109.7° | 108.0° |
| O4 | C20 | C1 | 120.5° | 125.9° |
| C21 | C20 | C1 | 129.8° | 126.0° |
| C20 | C21 | H25 | 126.4° | 126.6° |
| C18 | C19 | C14 | 112.3° | 110.8° |
| C19 | C18 | H21 | 109.2° | 109.9° |
| C19 | C18 | H22 | 109.2° | 109.8° |
| C18 | C19 | H24 | 108.8° | 109.4° |
| C18 | C19 | H23 | 108.7° | 109.4° |
| C20 | C1 | O1 | 117.6° | 119.9° |
| C20 | C1 | N1 | 122.0° | 120.0° |
| C14 | C15 | N1 | 110.1° | 108.3° |
| C15 | C14 | C19 | 115.3° | 109.5° |
| C15 | C14 | N2 | 108.5° | 109.5° |
| C15 | C14 | H15 | 107.3° | 109.0° |
| C14 | C15 | H16 | 106.8° | 110.0° |
| C15 | N1 | C1 | 121.2° | 121.1° |
| C15 | N1 | C2 | 114.3° | 117.9° |
| N1 | C15 | H16 | 107.5° | 110.1° |
| O1 | C1 | N1 | 120.4° | 120.1° |
| C1 | N1 | C2 | 119.1° | 121.0° |
| C19 | C14 | N2 | 109.8° | 110.3° |
| C19 | C14 | H15 | 107.5° | 109.3° |
| C14 | C19 | H24 | 108.8° | 108.4° |
| C14 | C19 | H23 | 108.8° | 109.5° |
| C14 | N2 | C3 | 116.1° | 111.1° |
| C14 | N2 | C4 | 120.7° | 111.0° |
| N2 | C14 | H15 | 108.2° | 109.3° |
| N1 | C2 | C3 | 111.3° | 108.7° |
| N1 | C2 | H2 | 109.0° | 109.6° |
| N1 | C2 | H1 | 109.0° | 109.6° |
| C2 | C3 | N2 | 109.2° | 109.5° |
| C3 | C2 | H2 | 109.0° | 109.6° |
| C3 | C2 | H1 | 109.0° | 109.6° |
| C2 | C3 | H3 | 109.5° | 109.5° |
| C2 | C3 | H4 | 109.6° | 109.5° |
| N4 | C5 | N3 | 117.8° | 120.8° |
| N4 | C5 | C6 | 121.2° | 120.9° |
| C5 | N4 | H6 | 109.5° | 120.0° |
| C5 | N4 | H5 | 109.5° | 120.0° |
| C3 | N2 | C4 | 123.0° | 111.0° |
| N2 | C3 | H3 | 109.5° | 109.4° |
| N2 | C3 | H4 | 109.5° | 109.4° |
| N2 | C4 | N3 | 117.8° | 118.6° |
| N2 | C4 | N5 | 118.3° | 118.6° |
| C5 | N3 | C4 | 120.0° | 121.4° |
| N3 | C5 | C6 | 121.0° | 118.3° |
| N3 | C4 | N5 | 123.8° | 122.7° |
| C5 | C6 | C13 | 116.0° | 118.3° |
| C5 | C6 | C7 | 125.0° | 121.8° |
| C4 | N5 | C13 | 118.3° | 120.4° |
| N5 | C13 | C6 | 120.9° | 118.8° |
| N5 | C13 | C12 | 119.2° | 121.8° |
| C13 | C6 | C7 | 119.1° | 120.0° |
| C6 | C13 | C12 | 119.9° | 119.4° |
| C6 | C7 | C8 | 120.2° | 119.6° |
| C6 | C7 | H7 | 119.9° | 120.2° |
| C13 | C12 | C10 | 120.2° | 119.5° |
| C13 | C12 | H14 | 119.9° | 120.2° |
| C7 | C8 | C10 | 120.3° | 120.7° |
| C7 | C8 | O2 | 125.0° | 119.6° |
| C8 | C7 | H7 | 119.9° | 120.2° |
| C12 | C10 | C8 | 120.3° | 120.7° |
| C12 | C10 | O3 | 125.1° | 119.7° |
| C10 | C12 | H14 | 119.9° | 120.2° |
| C10 | C8 | O2 | 114.7° | 119.7° |
| C8 | C10 | O3 | 114.6° | 119.6° |
| C8 | O2 | C9 | 116.7° | 117.0° |
| O2 | C9 | H10 | 109.5° | 109.4° |
| O2 | C9 | H8 | 109.5° | 109.5° |
| O2 | C9 | H9 | 109.4° | 109.4° |
| C10 | O3 | C11 | 117.1° | 117.0° |
| O3 | C11 | H13 | 109.5° | 109.5° |
| O3 | C11 | H11 | 109.5° | 109.4° |
| O3 | C11 | H12 | 109.5° | 109.5° |
| H2 | C2 | H1 | 109.5° | 109.7° |
| H3 | C3 | H4 | 109.5° | 109.4° |
| H6 | N4 | H5 | 109.5° | 120.0° |
| H10 | C9 | H8 | 109.5° | 109.5° |
| H10 | C9 | H9 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.5° | 109.5° |
| H13 | C11 | H11 | 109.4° | 109.5° |
| H13 | C11 | H12 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.4° |
| H18 | C16 | H17 | 109.5° | 109.4° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| H21 | C18 | H22 | 109.5° | 109.5° |
| H24 | C19 | H23 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C21 | H26 | 180.0° | 179.8° |
| C22 | C23 | O4 | H27 | 180.0° | 179.8° |
| C22 | C23 | O4 | C20 | 0.1° | 0.3° |
| C23 | C22 | C21 | C20 | 0.1° | 0.0° |
| C23 | C22 | C21 | H25 | 180.0° | 179.9° |
| C21 | C22 | C23 | O4 | 0.1° | 0.2° |
| C22 | C21 | C20 | O4 | 0.0° | 0.2° |
| C22 | C21 | C20 | H25 | 180.0° | 179.9° |
| C22 | C21 | C20 | C1 | 179.9° | 180.0° |
| C21 | C22 | C23 | H27 | 179.9° | 180.0° |
| C23 | O4 | C20 | C21 | 0.1° | 0.4° |
| C23 | O4 | C20 | C1 | 180.0° | 179.9° |
| O4 | C23 | C22 | H26 | 179.9° | 180.0° |
| C16 | C17 | C18 | H19 | 120.3° | 120.0° |
| C16 | C17 | C18 | H20 | 120.3° | 119.9° |
| C17 | C16 | C15 | H18 | 120.4° | 120.1° |
| C17 | C16 | C15 | H17 | 120.3° | 120.0° |
| C16 | C17 | C18 | C19 | 60.4° | 60.6° |
| C17 | C16 | C15 | C14 | 46.8° | 59.1° |
| C17 | C16 | C15 | N1 | 78.3° | 176.9° |
| C17 | C16 | C15 | H16 | 164.2° | 62.3° |
| C17 | C16 | H18 | H17 | 118.9° | 119.8° |
| C16 | C17 | H19 | H20 | 119.0° | 120.0° |
| C16 | C17 | C18 | H21 | 59.7° | 179.5° |
| C16 | C17 | C18 | H22 | 179.5° | 59.3° |
| C18 | C17 | C16 | C15 | 56.8° | 60.5° |
| C17 | C18 | C19 | H21 | 120.1° | 119.8° |
| C17 | C18 | C19 | H22 | 120.1° | 119.7° |
| C17 | C18 | C19 | C14 | 54.2° | 60.5° |
| C18 | C17 | C16 | H18 | 177.2° | 179.4° |
| C18 | C17 | C16 | H17 | 63.5° | 59.5° |
| C18 | C17 | H19 | H20 | 119.0° | 120.1° |
| C17 | C18 | H21 | H22 | 119.6° | 120.1° |
| C17 | C18 | C19 | H24 | 174.7° | 180.0° |
| C17 | C18 | C19 | H23 | 66.1° | 60.3° |
| C16 | C15 | C14 | N1 | 126.0° | 117.7° |
| C16 | C15 | C14 | H16 | 117.6° | 121.8° |
| C16 | C15 | N1 | H16 | 117.2° | 121.0° |
| C16 | C15 | N1 | C1 | 46.0° | 113.5° |
| C16 | C15 | C14 | C19 | 42.2° | 58.0° |
| C16 | C15 | C14 | N2 | 165.9° | 63.0° |
| C16 | C15 | N1 | C2 | 108.1° | 66.9° |
| C16 | C15 | C14 | H15 | 77.5° | 177.5° |
| C15 | C16 | H18 | H17 | 118.9° | 119.9° |
| C15 | C16 | C17 | H19 | 177.1° | 59.5° |
| C15 | C16 | C17 | H20 | 63.5° | 179.5° |
| O4 | C20 | C21 | C1 | 179.9° | 179.7° |
| O4 | C20 | C1 | O1 | 176.7° | 172.3° |
| O4 | C20 | C1 | N1 | 3.8° | 7.9° |
| O4 | C20 | C21 | H25 | 180.0° | 179.9° |
| C20 | O4 | C23 | H27 | 179.9° | 179.8° |
| C21 | C20 | C1 | O1 | 3.4° | 7.4° |
| C21 | C20 | C1 | N1 | 176.1° | 172.4° |
| C20 | C21 | C22 | H26 | 180.0° | 179.8° |
| C18 | C19 | C14 | C15 | 46.0° | 59.6° |
| C18 | C19 | C14 | H24 | 120.4° | 120.0° |
| C18 | C19 | C14 | H23 | 120.4° | 120.8° |
| C18 | C19 | C14 | N2 | 168.9° | 61.0° |
| C18 | C19 | C14 | H15 | 73.7° | 178.9° |
| C19 | C18 | C17 | H19 | 179.3° | 59.4° |
| C19 | C18 | C17 | H20 | 59.9° | 179.5° |
| C19 | C18 | H21 | H22 | 119.6° | 120.7° |
| C18 | C19 | H24 | H23 | 118.7° | 119.7° |
| C20 | C1 | N1 | C15 | 24.5° | 7.0° |
| C20 | C1 | O1 | N1 | 179.6° | 179.7° |
| C20 | C1 | N1 | C2 | 177.3° | 173.3° |
| C1 | C20 | C21 | H25 | 0.1° | 0.1° |
| C14 | C15 | N1 | H16 | 116.0° | 120.3° |
| C14 | C15 | N1 | C1 | 172.8° | 127.9° |
| C15 | C14 | C19 | N2 | 122.9° | 120.6° |
| C15 | C14 | C19 | H15 | 119.6° | 119.3° |
| C15 | C14 | N2 | H15 | 116.1° | 119.4° |
| C14 | C15 | N1 | C2 | 18.8° | 51.8° |
| C15 | C14 | N2 | C3 | 63.9° | 63.4° |
| C15 | C14 | N2 | C4 | 111.5° | 172.6° |
| C14 | C15 | C16 | H18 | 167.2° | 179.3° |
| C14 | C15 | C16 | H17 | 73.6° | 60.8° |
| C15 | C14 | C19 | H24 | 166.4° | 179.6° |
| C15 | C14 | C19 | H23 | 74.4° | 61.2° |
| C15 | N1 | C1 | O1 | 156.0° | 172.8° |
| C15 | N1 | C1 | C2 | 152.8° | 179.7° |
| N1 | C15 | C14 | C19 | 83.8° | 175.8° |
| N1 | C15 | C14 | N2 | 39.8° | 54.8° |
| C15 | N1 | C2 | C3 | 62.1° | 51.2° |
| C15 | N1 | C2 | H2 | 58.1° | 68.6° |
| C15 | N1 | C2 | H1 | 177.6° | 171.0° |
| N1 | C15 | C14 | H15 | 156.5° | 64.7° |
| N1 | C15 | C16 | H18 | 42.1° | 62.9° |
| N1 | C15 | C16 | H17 | 161.3° | 57.0° |
| O1 | C1 | N1 | C2 | 3.2° | 6.9° |
| C1 | N1 | C2 | C3 | 143.2° | 128.5° |
| C1 | N1 | C2 | H2 | 96.5° | 111.8° |
| C1 | N1 | C2 | H1 | 23.0° | 8.7° |
| C1 | N1 | C15 | H16 | 71.2° | 7.6° |
| C19 | C14 | N2 | H15 | 117.1° | 120.1° |
| C19 | C14 | N2 | C3 | 63.0° | 176.1° |
| C19 | C14 | N2 | C4 | 121.6° | 52.1° |
| C19 | C14 | C15 | H16 | 159.9° | 63.8° |
| C14 | C19 | C18 | H21 | 65.9° | 179.8° |
| C14 | C19 | C18 | H22 | 174.4° | 59.2° |
| C14 | C19 | H24 | H23 | 118.7° | 119.3° |
| C14 | N2 | C3 | C2 | 21.9° | 62.5° |
| C14 | N2 | C3 | C4 | 175.2° | 124.0° |
| C14 | N2 | C4 | N3 | 8.9° | 59.7° |
| C14 | N2 | C4 | N5 | 169.0° | 120.0° |
| C14 | N2 | C3 | H3 | 98.1° | 177.5° |
| C14 | N2 | C3 | H4 | 141.9° | 57.5° |
| N2 | C14 | C15 | H16 | 76.5° | 175.2° |
| N2 | C14 | C19 | H24 | 70.7° | 59.1° |
| N2 | C14 | C19 | H23 | 48.5° | 178.2° |
| N1 | C2 | C3 | H2 | 120.3° | 119.8° |
| N1 | C2 | C3 | H1 | 120.3° | 119.8° |
| N1 | C2 | C3 | N2 | 39.5° | 53.4° |
| N1 | C2 | H2 | H1 | 119.2° | 120.4° |
| N1 | C2 | C3 | H3 | 159.4° | 173.4° |
| N1 | C2 | C3 | H4 | 80.5° | 66.6° |
| C2 | N1 | C15 | H16 | 134.7° | 172.1° |
| C2 | C3 | N2 | H3 | 119.9° | 120.0° |
| C2 | C3 | N2 | H4 | 120.0° | 120.0° |
| C2 | C3 | N2 | C4 | 153.4° | 173.5° |
| C3 | C2 | H2 | H1 | 119.1° | 120.3° |
| C2 | C3 | H3 | H4 | 120.1° | 120.0° |
| N4 | C5 | N3 | C6 | 179.8° | 179.9° |
| N4 | C5 | N3 | C4 | 179.7° | 180.0° |
| N4 | C5 | C6 | C13 | 179.9° | 179.9° |
| N4 | C5 | C6 | C7 | 0.0° | 0.0° |
| C5 | N4 | H6 | H5 | 120.0° | 179.9° |
| C3 | N2 | C4 | N3 | 176.0° | 64.4° |
| C3 | N2 | C4 | N5 | 6.0° | 115.9° |
| N2 | C3 | C2 | H2 | 80.8° | 66.4° |
| N2 | C3 | C2 | H1 | 159.7° | 173.2° |
| N2 | C3 | H3 | H4 | 120.1° | 119.9° |
| C3 | N2 | C14 | H15 | 179.9° | 56.0° |
| N2 | C4 | N3 | C5 | 178.7° | 180.0° |
| N2 | C4 | N3 | N5 | 177.9° | 179.7° |
| N2 | C4 | N5 | C13 | 178.6° | 179.7° |
| C4 | N2 | C3 | H3 | 86.7° | 53.5° |
| C4 | N2 | C3 | H4 | 33.4° | 66.5° |
| C4 | N2 | C14 | H15 | 4.6° | 68.1° |
| C5 | N3 | C4 | N5 | 0.9° | 0.3° |
| N3 | C5 | C6 | C13 | 0.2° | 0.0° |
| N3 | C5 | C6 | C7 | 179.8° | 179.9° |
| N3 | C5 | N4 | H6 | 0.0° | 0.1° |
| N3 | C5 | N4 | H5 | 120.0° | 180.0° |
| C4 | N3 | C5 | C6 | 0.6° | 0.1° |
| N3 | C4 | N5 | C13 | 0.8° | 0.6° |
| C5 | C6 | C13 | N5 | 0.0° | 0.3° |
| C5 | C6 | C13 | C7 | 180.0° | 179.9° |
| C5 | C6 | C13 | C12 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 179.9° | 180.0° |
| C6 | C5 | N4 | H6 | 179.8° | 180.0° |
| C6 | C5 | N4 | H5 | 60.2° | 0.1° |
| C5 | C6 | C7 | H7 | 0.1° | 0.1° |
| C4 | N5 | C13 | C6 | 0.3° | 0.5° |
| C4 | N5 | C13 | C12 | 179.8° | 179.8° |
| N5 | C13 | C6 | C12 | 179.9° | 179.7° |
| N5 | C13 | C6 | C7 | 179.9° | 179.7° |
| N5 | C13 | C12 | C10 | 179.9° | 179.7° |
| N5 | C13 | C12 | H14 | 0.1° | 0.3° |
| C13 | C6 | C7 | C8 | 0.0° | 0.1° |
| C6 | C13 | C12 | C10 | 0.2° | 0.0° |
| C13 | C6 | C7 | H7 | 179.9° | 180.0° |
| C6 | C13 | C12 | H14 | 179.8° | 180.0° |
| C7 | C6 | C13 | C12 | 0.0° | 0.1° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C10 | 0.3° | 0.1° |
| C6 | C7 | C8 | O2 | 179.3° | 180.0° |
| C13 | C12 | C10 | H14 | 180.0° | 180.0° |
| C13 | C12 | C10 | C8 | 0.4° | 0.0° |
| C13 | C12 | C10 | O3 | 179.8° | 180.0° |
| C7 | C8 | C10 | C12 | 0.4° | 0.0° |
| C7 | C8 | C10 | O2 | 179.1° | 179.9° |
| C7 | C8 | O2 | C9 | 21.2° | 0.1° |
| C7 | C8 | C10 | O3 | 179.7° | 180.0° |
| C12 | C10 | C8 | O3 | 179.8° | 180.0° |
| C12 | C10 | C8 | O2 | 179.6° | 179.9° |
| C12 | C10 | O3 | C11 | 3.2° | 0.0° |
| C10 | C8 | O2 | C9 | 159.7° | 180.0° |
| C8 | C10 | O3 | C11 | 176.7° | 180.0° |
| C10 | C8 | C7 | H7 | 179.7° | 179.9° |
| C8 | C10 | C12 | H14 | 179.6° | 180.0° |
| O2 | C8 | C10 | O3 | 0.6° | 0.0° |
| O2 | C8 | C7 | H7 | 0.7° | 0.1° |
| C8 | O2 | C9 | H10 | 180.0° | 180.0° |
| C8 | O2 | C9 | H8 | 60.0° | 60.0° |
| C8 | O2 | C9 | H9 | 60.0° | 60.1° |
| O2 | C9 | H10 | H8 | 120.0° | 120.0° |
| O2 | C9 | H10 | H9 | 120.0° | 119.9° |
| O2 | C9 | H8 | H9 | 120.0° | 120.0° |
| C10 | O3 | C11 | H13 | 180.0° | 180.0° |
| C10 | O3 | C11 | H11 | 60.0° | 60.0° |
| C10 | O3 | C11 | H12 | 60.0° | 59.9° |
| O3 | C10 | C12 | H14 | 0.2° | 0.0° |
| O3 | C11 | H13 | H11 | 120.0° | 120.0° |
| O3 | C11 | H13 | H12 | 120.0° | 120.0° |
| O3 | C11 | H11 | H12 | 120.0° | 120.0° |
| H2 | C2 | C3 | H3 | 39.1° | 53.6° |
| H2 | C2 | C3 | H4 | 159.2° | 173.6° |
| H1 | C2 | C3 | H3 | 80.3° | 66.8° |
| H1 | C2 | C3 | H4 | 39.8° | 53.2° |
| H10 | C9 | H8 | H9 | 120.0° | 120.1° |
| H13 | C11 | H11 | H12 | 120.0° | 120.0° |
| H15 | C14 | C15 | H16 | 40.1° | 55.7° |
| H15 | C14 | C19 | H24 | 46.8° | 61.1° |
| H15 | C14 | C19 | H23 | 165.9° | 58.1° |
| H16 | C15 | C16 | H18 | 75.4° | 57.8° |
| H16 | C15 | C16 | H17 | 43.9° | 177.7° |
| H18 | C16 | C17 | H19 | 62.5° | 60.6° |
| H18 | C16 | C17 | H20 | 56.9° | 59.4° |
| H17 | C16 | C17 | H19 | 56.8° | 179.5° |
| H17 | C16 | C17 | H20 | 176.1° | 60.4° |
| H19 | C17 | C18 | H21 | 60.6° | 60.6° |
| H19 | C17 | C18 | H22 | 59.2° | 179.3° |
| H20 | C17 | C18 | H21 | 180.0° | 59.5° |
| H20 | C17 | C18 | H22 | 60.2° | 60.6° |
| H21 | C18 | C19 | H24 | 54.5° | 60.3° |
| H21 | C18 | C19 | H23 | 173.7° | 59.4° |
| H22 | C18 | C19 | H24 | 65.2° | 60.3° |
| H22 | C18 | C19 | H23 | 54.0° | 179.9° |
| H25 | C21 | C22 | H26 | 0.0° | 0.2° |
| H26 | C22 | C23 | H27 | 0.1° | 0.2° |
