IPV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | S | doub | 1.42Å | 1.44Å | |
| C18 | S | sing | 1.81Å | 1.75Å | |
| S | O1 | doub | 1.42Å | 1.43Å | |
| S | C16 | sing | 1.76Å | 1.77Å | |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | C10 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C11 | sing | 1.33Å | 1.34Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | C12 | sing | 1.40Å | 1.41Å | |
| N3 | C11 | sing | 1.39Å | 1.36Å | |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | N2 | doub | 1.32Å | 1.35Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| N2 | C8 | sing | 1.33Å | 1.34Å | Aromatic |
| C14 | N4 | sing | 1.40Å | 1.37Å | |
| C8 | N | sing | 1.39Å | 1.41Å | |
| C22 | N4 | sing | 1.47Å | 1.46Å | |
| C22 | C21 | sing | 1.53Å | 1.51Å | |
| N4 | C19 | sing | 1.47Å | 1.46Å | |
| N | C7 | sing | 1.47Å | 1.47Å | |
| N | C6 | sing | 1.40Å | 1.47Å | |
| C21 | O2 | sing | 1.43Å | 1.43Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| O2 | C20 | sing | 1.43Å | 1.44Å | |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C23 | sing | 1.51Å | 1.51Å | |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | O3 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.08Å | 1.08Å | |
| N3 | H22 | sing | 0.97Å | 1.00Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| C | H24 | sing | 1.09Å | 1.10Å | |
| C | H25 | sing | 1.09Å | 1.10Å | |
| C5 | H26 | sing | 1.08Å | 1.08Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| O3 | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | S | C18 | 108.6° | 110.5° |
| O | S | O1 | 117.9° | 121.1° |
| O | S | C16 | 108.4° | 104.3° |
| C18 | S | O1 | 108.4° | 110.6° |
| C18 | S | C16 | 104.5° | 104.5° |
| S | C18 | H18 | 109.5° | 109.4° |
| S | C18 | H19 | 109.4° | 109.5° |
| S | C18 | H20 | 109.5° | 109.4° |
| O1 | S | C16 | 108.3° | 104.3° |
| S | C16 | C17 | 120.3° | 119.9° |
| S | C16 | C15 | 119.5° | 120.0° |
| C16 | C17 | C12 | 119.6° | 120.1° |
| C17 | C16 | C15 | 120.2° | 120.1° |
| C16 | C17 | H21 | 120.2° | 120.0° |
| C17 | C12 | N3 | 120.7° | 120.0° |
| C17 | C12 | C13 | 120.4° | 120.0° |
| C12 | C17 | H21 | 120.2° | 120.0° |
| C10 | N1 | C11 | 115.6° | 121.0° |
| N1 | C10 | C9 | 123.7° | 119.3° |
| N1 | C10 | H7 | 118.1° | 120.4° |
| N1 | C11 | N3 | 116.4° | 119.2° |
| N1 | C11 | N2 | 125.6° | 121.6° |
| C16 | C15 | C14 | 120.7° | 120.1° |
| C16 | C15 | H9 | 119.6° | 119.9° |
| C12 | N3 | C11 | 134.6° | 120.0° |
| N3 | C12 | C13 | 118.8° | 120.0° |
| C12 | N3 | H22 | 112.7° | 120.0° |
| N3 | C11 | N2 | 118.0° | 119.2° |
| C11 | N3 | H22 | 112.7° | 120.0° |
| C12 | C13 | C14 | 119.9° | 119.8° |
| C12 | C13 | H8 | 120.1° | 120.1° |
| C10 | C9 | C8 | 115.9° | 118.5° |
| C10 | C9 | H6 | 122.1° | 120.7° |
| C9 | C10 | H7 | 118.2° | 120.4° |
| C11 | N2 | C8 | 116.8° | 120.6° |
| C15 | C14 | C13 | 119.2° | 119.9° |
| C15 | C14 | N4 | 120.4° | 120.0° |
| C14 | C15 | H9 | 119.7° | 120.0° |
| C13 | C14 | N4 | 120.3° | 120.1° |
| C14 | C13 | H8 | 120.0° | 120.0° |
| C9 | C8 | N2 | 122.4° | 119.0° |
| C9 | C8 | N | 122.6° | 120.5° |
| C8 | C9 | H6 | 122.0° | 120.8° |
| N2 | C8 | N | 115.0° | 120.5° |
| C14 | N4 | C22 | 118.6° | 111.0° |
| C14 | N4 | C19 | 120.2° | 111.0° |
| C8 | N | C7 | 121.8° | 120.0° |
| C8 | N | C6 | 122.5° | 120.0° |
| N4 | C22 | C21 | 109.5° | 109.2° |
| C22 | N4 | C19 | 113.0° | 110.8° |
| N4 | C22 | H16 | 109.5° | 109.5° |
| N4 | C22 | H17 | 109.5° | 109.5° |
| C22 | C21 | O2 | 111.6° | 109.2° |
| C22 | C21 | H14 | 108.9° | 109.5° |
| C22 | C21 | H15 | 108.9° | 109.5° |
| C21 | C22 | H16 | 109.4° | 109.5° |
| C21 | C22 | H17 | 109.4° | 109.5° |
| N4 | C19 | C20 | 109.4° | 109.3° |
| N4 | C19 | H10 | 109.5° | 109.5° |
| N4 | C19 | H11 | 109.5° | 109.6° |
| C7 | N | C6 | 115.8° | 120.0° |
| N | C7 | H3 | 109.5° | 109.5° |
| N | C7 | H4 | 109.5° | 109.4° |
| N | C7 | H5 | 109.5° | 109.5° |
| N | C6 | C5 | 118.8° | 120.1° |
| N | C6 | C1 | 121.0° | 120.1° |
| C21 | O2 | C20 | 110.8° | 113.8° |
| O2 | C21 | H14 | 108.9° | 109.5° |
| O2 | C21 | H15 | 108.9° | 109.5° |
| C19 | C20 | O2 | 112.1° | 109.2° |
| C20 | C19 | H10 | 109.5° | 109.5° |
| C20 | C19 | H11 | 109.5° | 109.5° |
| C19 | C20 | H12 | 108.8° | 109.5° |
| C19 | C20 | H13 | 108.8° | 109.5° |
| C5 | C6 | C1 | 120.2° | 119.8° |
| C6 | C5 | C4 | 121.2° | 119.9° |
| C6 | C5 | H26 | 119.4° | 120.0° |
| C6 | C1 | C | 123.0° | 120.0° |
| C6 | C1 | C2 | 117.6° | 120.0° |
| C5 | C4 | C23 | 120.7° | 120.0° |
| C5 | C4 | C3 | 118.3° | 120.1° |
| C4 | C5 | H26 | 119.4° | 120.0° |
| O2 | C20 | H12 | 108.8° | 109.5° |
| O2 | C20 | H13 | 108.8° | 109.5° |
| C | C1 | C2 | 119.4° | 120.0° |
| C1 | C | H23 | 109.5° | 109.5° |
| C1 | C | H24 | 109.5° | 109.5° |
| C1 | C | H25 | 109.4° | 109.5° |
| C1 | C2 | C3 | 121.8° | 120.1° |
| C1 | C2 | H1 | 119.1° | 120.0° |
| C23 | C4 | C3 | 120.9° | 120.0° |
| C4 | C23 | O3 | 112.7° | 109.5° |
| C4 | C23 | H27 | 108.7° | 109.5° |
| C4 | C23 | H28 | 108.7° | 109.5° |
| C4 | C3 | C2 | 120.8° | 120.1° |
| C4 | C3 | H2 | 119.6° | 119.9° |
| O3 | C23 | H27 | 108.6° | 109.4° |
| O3 | C23 | H28 | 108.7° | 109.5° |
| C23 | O3 | H29 | 109.5° | 114.0° |
| C3 | C2 | H1 | 119.1° | 120.0° |
| C2 | C3 | H2 | 119.6° | 119.9° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H3 | C7 | H5 | 109.5° | 109.5° |
| H4 | C7 | H5 | 109.4° | 109.4° |
| H10 | C19 | H11 | 109.5° | 109.5° |
| H12 | C20 | H13 | 109.5° | 109.6° |
| H14 | C21 | H15 | 109.5° | 109.5° |
| H16 | C22 | H17 | 109.5° | 109.6° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H18 | C18 | H20 | 109.4° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.5° |
| H23 | C | H24 | 109.5° | 109.5° |
| H23 | C | H25 | 109.4° | 109.5° |
| H24 | C | H25 | 109.5° | 109.5° |
| H27 | C23 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | S | C18 | O1 | 129.2° | 136.8° |
| O | S | C18 | C16 | 115.5° | 111.6° |
| O | S | O1 | C16 | 123.4° | 116.7° |
| O | S | C16 | C17 | 8.4° | 154.0° |
| O | S | C16 | C15 | 171.1° | 26.1° |
| O | S | C18 | H18 | 180.0° | 68.4° |
| O | S | C18 | H19 | 60.0° | 51.6° |
| O | S | C18 | H20 | 60.0° | 171.7° |
| C18 | S | O1 | C16 | 112.8° | 111.7° |
| C18 | S | C16 | C17 | 107.2° | 90.0° |
| C18 | S | C16 | C15 | 73.3° | 90.0° |
| S | C18 | H18 | H19 | 120.0° | 120.1° |
| S | C18 | H18 | H20 | 120.0° | 119.9° |
| S | C18 | H19 | H20 | 120.0° | 120.0° |
| O1 | S | C16 | C17 | 137.4° | 26.1° |
| O1 | S | C16 | C15 | 42.1° | 153.9° |
| O1 | S | C18 | H18 | 50.8° | 68.4° |
| O1 | S | C18 | H19 | 69.3° | 171.6° |
| O1 | S | C18 | H20 | 170.8° | 51.6° |
| S | C16 | C17 | C15 | 179.5° | 179.9° |
| S | C16 | C17 | C12 | 178.0° | 180.0° |
| S | C16 | C15 | C14 | 180.0° | 180.0° |
| S | C16 | C15 | H9 | 0.0° | 0.1° |
| C16 | S | C18 | H18 | 64.5° | 180.0° |
| C16 | S | C18 | H19 | 175.4° | 60.0° |
| C16 | S | C18 | H20 | 55.5° | 60.1° |
| S | C16 | C17 | H21 | 2.0° | 0.1° |
| C16 | C17 | C12 | H21 | 180.0° | 180.0° |
| C16 | C17 | C12 | N3 | 175.9° | 179.8° |
| C16 | C17 | C12 | C13 | 1.3° | 0.0° |
| C17 | C16 | C15 | C14 | 0.5° | 0.0° |
| C17 | C16 | C15 | H9 | 179.5° | 180.0° |
| C12 | C17 | C16 | C15 | 1.5° | 0.0° |
| C17 | C12 | N3 | C13 | 177.2° | 179.8° |
| C17 | C12 | N3 | C11 | 173.1° | 33.7° |
| C17 | C12 | C13 | C14 | 1.0° | 0.0° |
| C17 | C12 | C13 | H8 | 179.0° | 179.9° |
| C17 | C12 | N3 | H22 | 6.9° | 146.2° |
| C10 | N1 | C11 | N3 | 178.5° | 179.7° |
| N1 | C10 | C9 | H7 | 180.0° | 179.9° |
| C10 | N1 | C11 | N2 | 0.9° | 0.2° |
| N1 | C10 | C9 | C8 | 0.4° | 0.1° |
| N1 | C10 | C9 | H6 | 179.6° | 180.0° |
| N1 | C11 | N3 | C12 | 179.0° | 6.0° |
| N1 | C11 | N3 | N2 | 179.5° | 179.5° |
| C11 | N1 | C10 | C9 | 0.6° | 0.1° |
| N1 | C11 | N2 | C8 | 0.9° | 0.5° |
| C11 | N1 | C10 | H7 | 179.3° | 180.0° |
| N1 | C11 | N3 | H22 | 1.0° | 174.0° |
| C16 | C15 | C14 | H9 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 2.7° | 0.0° |
| C16 | C15 | C14 | N4 | 172.2° | 180.0° |
| C15 | C16 | C17 | H21 | 178.5° | 180.0° |
| C12 | N3 | C11 | H22 | 180.0° | 180.0° |
| C12 | N3 | C11 | N2 | 0.5° | 174.5° |
| N3 | C12 | C13 | C14 | 178.2° | 179.8° |
| N3 | C12 | C13 | H8 | 1.8° | 0.3° |
| N3 | C12 | C17 | H21 | 4.1° | 0.3° |
| C11 | N3 | C12 | C13 | 4.1° | 146.5° |
| N3 | C11 | N2 | C8 | 178.5° | 180.0° |
| C12 | C13 | C14 | C15 | 2.9° | 0.0° |
| C12 | C13 | C14 | H8 | 180.0° | 179.9° |
| C12 | C13 | C14 | N4 | 172.0° | 180.0° |
| C13 | C12 | C17 | H21 | 178.7° | 180.0° |
| C13 | C12 | N3 | H22 | 175.9° | 33.5° |
| C10 | C9 | C8 | H6 | 180.0° | 180.0° |
| C10 | C9 | C8 | N2 | 0.4° | 0.2° |
| C10 | C9 | C8 | N | 178.3° | 179.9° |
| C11 | N2 | C8 | C9 | 0.6° | 0.5° |
| C11 | N2 | C8 | N | 178.2° | 179.8° |
| N2 | C11 | N3 | H22 | 179.5° | 5.5° |
| C15 | C14 | C13 | N4 | 174.9° | 180.0° |
| C15 | C14 | N4 | C22 | 106.5° | 180.0° |
| C15 | C14 | N4 | C19 | 107.4° | 56.4° |
| C15 | C14 | C13 | H8 | 177.1° | 179.9° |
| C13 | C14 | N4 | C22 | 68.3° | 0.1° |
| C13 | C14 | N4 | C19 | 77.8° | 123.6° |
| C13 | C14 | C15 | H9 | 177.3° | 180.0° |
| C9 | C8 | N2 | N | 178.7° | 179.7° |
| C9 | C8 | N | C7 | 168.9° | 5.0° |
| C9 | C8 | N | C6 | 10.0° | 175.0° |
| C8 | C9 | C10 | H7 | 179.6° | 180.0° |
| N2 | C8 | N | C7 | 9.8° | 175.2° |
| N2 | C8 | N | C6 | 171.2° | 4.7° |
| N2 | C8 | C9 | H6 | 179.6° | 179.8° |
| C14 | N4 | C22 | C19 | 148.4° | 123.8° |
| C14 | N4 | C22 | C21 | 157.2° | 177.6° |
| C14 | N4 | C19 | C20 | 158.3° | 177.6° |
| N4 | C14 | C13 | H8 | 8.1° | 0.1° |
| N4 | C14 | C15 | H9 | 7.8° | 0.0° |
| C14 | N4 | C19 | H10 | 81.7° | 57.7° |
| C14 | N4 | C19 | H11 | 38.3° | 62.4° |
| C14 | N4 | C22 | H16 | 37.1° | 62.5° |
| C14 | N4 | C22 | H17 | 82.9° | 57.7° |
| C8 | N | C7 | C6 | 179.0° | 180.0° |
| C8 | N | C6 | C5 | 107.2° | 90.0° |
| C8 | N | C6 | C1 | 75.1° | 90.0° |
| C8 | N | C7 | H3 | 180.0° | 90.0° |
| C8 | N | C7 | H4 | 60.0° | 150.0° |
| C8 | N | C7 | H5 | 60.0° | 30.1° |
| N | C8 | C9 | H6 | 1.7° | 0.0° |
| N4 | C22 | C21 | H16 | 120.0° | 119.9° |
| N4 | C22 | C21 | H17 | 120.0° | 119.9° |
| N4 | C22 | C21 | O2 | 55.9° | 56.9° |
| C22 | N4 | C19 | C20 | 53.8° | 58.6° |
| C22 | N4 | C19 | H10 | 66.2° | 178.5° |
| C22 | N4 | C19 | H11 | 173.8° | 61.3° |
| N4 | C22 | C21 | H14 | 64.4° | 63.1° |
| N4 | C22 | C21 | H15 | 176.2° | 176.8° |
| N4 | C22 | H16 | H17 | 120.0° | 120.2° |
| C21 | C22 | N4 | C19 | 54.4° | 58.6° |
| C22 | C21 | O2 | H14 | 120.3° | 120.0° |
| C22 | C21 | O2 | H15 | 120.3° | 120.0° |
| C22 | C21 | O2 | C20 | 58.2° | 58.7° |
| C22 | C21 | H14 | H15 | 119.0° | 120.1° |
| C21 | C22 | H16 | H17 | 119.9° | 120.1° |
| N4 | C19 | C20 | H10 | 120.0° | 119.9° |
| N4 | C19 | C20 | H11 | 120.0° | 120.0° |
| N4 | C19 | C20 | O2 | 54.9° | 56.9° |
| N4 | C19 | H10 | H11 | 120.0° | 120.2° |
| N4 | C19 | C20 | H12 | 175.3° | 176.7° |
| N4 | C19 | C20 | H13 | 65.5° | 63.1° |
| C19 | N4 | C22 | H16 | 174.4° | 61.3° |
| C19 | N4 | C22 | H17 | 65.6° | 178.5° |
| C7 | N | C6 | C5 | 71.8° | 90.1° |
| C7 | N | C6 | C1 | 105.9° | 90.0° |
| N | C7 | H3 | H4 | 120.0° | 120.0° |
| N | C7 | H3 | H5 | 120.0° | 120.1° |
| N | C7 | H4 | H5 | 120.0° | 120.0° |
| N | C6 | C5 | C1 | 177.7° | 179.9° |
| N | C6 | C5 | C4 | 175.9° | 180.0° |
| N | C6 | C1 | C | 2.2° | 0.0° |
| N | C6 | C1 | C2 | 178.5° | 179.7° |
| C6 | N | C7 | H3 | 1.0° | 90.0° |
| C6 | N | C7 | H4 | 121.0° | 30.1° |
| C6 | N | C7 | H5 | 119.0° | 150.0° |
| N | C6 | C5 | H26 | 4.1° | 0.1° |
| C21 | O2 | C20 | C19 | 57.9° | 58.7° |
| C21 | O2 | C20 | H12 | 178.3° | 178.6° |
| C21 | O2 | C20 | H13 | 62.5° | 61.2° |
| O2 | C21 | H14 | H15 | 119.0° | 120.1° |
| O2 | C21 | C22 | H16 | 175.9° | 63.1° |
| O2 | C21 | C22 | H17 | 64.1° | 176.8° |
| C19 | C20 | O2 | H12 | 120.4° | 119.9° |
| C19 | C20 | O2 | H13 | 120.4° | 119.9° |
| C20 | C19 | H10 | H11 | 120.1° | 120.1° |
| C19 | C20 | H12 | H13 | 118.8° | 120.1° |
| C6 | C5 | C4 | H26 | 180.0° | 179.9° |
| C5 | C6 | C1 | C | 175.5° | 180.0° |
| C5 | C6 | C1 | C2 | 0.8° | 0.2° |
| C6 | C5 | C4 | C23 | 172.7° | 179.9° |
| C6 | C5 | C4 | C3 | 2.8° | 0.3° |
| C1 | C6 | C5 | C4 | 1.8° | 0.1° |
| C6 | C1 | C | C2 | 176.2° | 179.8° |
| C6 | C1 | C2 | C3 | 2.3° | 0.2° |
| C6 | C1 | C2 | H1 | 177.6° | 179.7° |
| C6 | C1 | C | H23 | 88.0° | 90.2° |
| C6 | C1 | C | H24 | 152.0° | 29.7° |
| C6 | C1 | C | H25 | 32.0° | 149.7° |
| C1 | C6 | C5 | H26 | 178.2° | 180.0° |
| C5 | C4 | C23 | C3 | 175.4° | 179.7° |
| C5 | C4 | C23 | O3 | 78.4° | 90.0° |
| C5 | C4 | C3 | C2 | 1.3° | 0.3° |
| C5 | C4 | C3 | H2 | 178.7° | 179.7° |
| C5 | C4 | C23 | H27 | 42.1° | 150.1° |
| C5 | C4 | C23 | H28 | 161.1° | 30.0° |
| O2 | C20 | C19 | H10 | 65.0° | 176.8° |
| O2 | C20 | C19 | H11 | 174.9° | 63.1° |
| O2 | C20 | H12 | H13 | 118.8° | 120.1° |
| C20 | O2 | C21 | H14 | 62.1° | 61.3° |
| C20 | O2 | C21 | H15 | 178.6° | 178.7° |
| C | C1 | C2 | C3 | 174.1° | 180.0° |
| C | C1 | C2 | H1 | 5.9° | 0.1° |
| C1 | C | H23 | H24 | 120.0° | 120.0° |
| C1 | C | H23 | H25 | 120.0° | 120.0° |
| C1 | C | H24 | H25 | 120.0° | 120.0° |
| C1 | C2 | C3 | C4 | 1.3° | 0.0° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | H2 | 178.7° | 180.0° |
| C2 | C1 | C | H23 | 88.3° | 90.0° |
| C2 | C1 | C | H24 | 31.7° | 150.0° |
| C2 | C1 | C | H25 | 151.8° | 30.1° |
| C4 | C23 | O3 | H27 | 120.5° | 119.9° |
| C4 | C23 | O3 | H28 | 120.5° | 120.1° |
| C23 | C4 | C3 | C2 | 174.3° | 180.0° |
| C23 | C4 | C3 | H2 | 5.7° | 0.0° |
| C23 | C4 | C5 | H26 | 7.3° | 0.0° |
| C4 | C23 | H27 | H28 | 118.6° | 120.1° |
| C4 | C23 | O3 | H29 | 180.0° | 180.0° |
| C3 | C4 | C23 | O3 | 97.1° | 90.2° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C4 | C3 | C2 | H1 | 178.6° | 179.9° |
| C3 | C4 | C5 | H26 | 177.2° | 179.7° |
| C3 | C4 | C23 | H27 | 142.5° | 29.7° |
| C3 | C4 | C23 | H28 | 23.4° | 149.7° |
| O3 | C23 | H27 | H28 | 118.5° | 120.0° |
| H1 | C2 | C3 | H2 | 1.3° | 0.1° |
| H3 | C7 | H4 | H5 | 120.0° | 120.0° |
| H6 | C9 | C10 | H7 | 0.4° | 0.1° |
| H10 | C19 | C20 | H12 | 55.3° | 63.3° |
| H10 | C19 | C20 | H13 | 174.6° | 56.8° |
| H11 | C19 | C20 | H12 | 64.7° | 56.8° |
| H11 | C19 | C20 | H13 | 54.5° | 176.9° |
| H14 | C21 | C22 | H16 | 55.6° | 177.0° |
| H14 | C21 | C22 | H17 | 175.6° | 56.8° |
| H15 | C21 | C22 | H16 | 63.7° | 56.9° |
| H15 | C21 | C22 | H17 | 56.2° | 63.3° |
| H18 | C18 | H19 | H20 | 120.0° | 120.0° |
| H23 | C | H24 | H25 | 120.0° | 120.0° |
| H27 | C23 | O3 | H29 | 59.6° | 60.0° |
| H28 | C23 | O3 | H29 | 59.5° | 59.9° |
