E33
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.51Å | 1.38Å | |
| C15 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| O3 | C19 | sing | 1.43Å | 1.42Å | |
| O3 | C16 | sing | 1.36Å | 1.37Å | |
| C13 | N2 | sing | 1.47Å | 1.48Å | |
| C11 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| N2 | C9 | sing | 1.47Å | 1.51Å | |
| N2 | C14 | sing | 1.46Å | 1.47Å | |
| C10 | C9 | sing | 1.51Å | 1.38Å | |
| C10 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C14 | C6 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C7 | N1 | sing | 1.47Å | 1.49Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| N1 | C3 | sing | 1.47Å | 1.50Å | |
| N1 | S1 | sing | 1.66Å | 1.71Å | |
| O1 | S1 | doub | 1.42Å | 1.53Å | |
| S1 | O2 | doub | 1.42Å | 1.52Å | |
| S1 | C2 | sing | 1.81Å | 1.82Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.08Å | 1.08Å | |
| C17 | H20 | sing | 1.08Å | 1.08Å | |
| C7 | H21 | sing | 1.09Å | 1.10Å | |
| C8 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.08Å | 1.08Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C11 | 113.9° | 110.1° |
| C12 | C13 | N2 | 115.8° | 108.4° |
| C13 | C12 | H13 | 108.4° | 109.4° |
| C13 | C12 | H14 | 108.4° | 109.3° |
| C12 | C13 | H15 | 107.9° | 109.7° |
| C12 | C13 | H16 | 107.8° | 109.6° |
| C12 | C11 | C15 | 112.4° | 118.3° |
| C12 | C11 | C10 | 123.2° | 121.9° |
| C11 | C12 | H13 | 108.4° | 109.4° |
| C11 | C12 | H14 | 108.4° | 109.3° |
| C11 | C15 | C16 | 116.1° | 120.3° |
| C15 | C11 | C10 | 124.1° | 119.8° |
| C11 | C15 | H19 | 121.9° | 119.9° |
| C15 | C16 | O3 | 119.6° | 120.1° |
| C15 | C16 | C17 | 120.2° | 119.8° |
| C16 | C15 | H19 | 122.0° | 119.8° |
| C19 | O3 | C16 | 112.2° | 117.0° |
| O3 | C19 | H27 | 109.5° | 109.5° |
| O3 | C19 | H28 | 109.4° | 109.5° |
| O3 | C19 | H29 | 109.5° | 109.4° |
| O3 | C16 | C17 | 120.3° | 120.1° |
| C13 | N2 | C9 | 106.5° | 110.5° |
| C13 | N2 | C14 | 122.8° | 112.0° |
| N2 | C13 | H15 | 107.8° | 109.7° |
| N2 | C13 | H16 | 107.9° | 109.7° |
| C11 | C10 | C9 | 106.8° | 121.7° |
| C11 | C10 | C18 | 117.8° | 120.0° |
| C16 | C17 | C18 | 122.5° | 119.8° |
| C16 | C17 | H20 | 118.7° | 120.1° |
| C9 | N2 | C14 | 115.7° | 112.2° |
| N2 | C9 | C10 | 125.3° | 109.9° |
| N2 | C9 | C8 | 108.1° | 109.6° |
| N2 | C9 | H24 | 100.9° | 109.6° |
| N2 | C14 | C6 | 121.2° | 110.1° |
| N2 | C14 | H17 | 106.5° | 109.4° |
| N2 | C14 | H18 | 106.4° | 109.2° |
| C9 | C10 | C18 | 123.9° | 118.3° |
| C10 | C9 | C8 | 115.5° | 108.8° |
| C10 | C9 | H24 | 101.9° | 109.5° |
| C10 | C18 | C17 | 117.1° | 120.4° |
| C10 | C18 | H26 | 121.4° | 119.9° |
| C18 | C17 | H20 | 118.8° | 120.1° |
| C17 | C18 | H26 | 121.4° | 119.7° |
| C9 | C8 | C7 | 126.1° | 109.9° |
| C9 | C8 | H22 | 105.2° | 109.4° |
| C9 | C8 | H23 | 105.2° | 109.3° |
| C8 | C9 | H24 | 100.6° | 109.5° |
| C14 | C6 | C5 | 111.3° | 109.0° |
| C14 | C6 | C7 | 106.8° | 109.2° |
| C14 | C6 | H12 | 109.6° | 110.4° |
| C6 | C14 | H17 | 106.5° | 109.4° |
| C6 | C14 | H18 | 106.5° | 109.4° |
| C8 | C7 | C6 | 109.2° | 109.7° |
| C8 | C7 | N1 | 115.0° | 109.9° |
| C8 | C7 | H21 | 108.2° | 109.4° |
| C7 | C8 | H22 | 105.2° | 109.4° |
| C7 | C8 | H23 | 105.2° | 109.4° |
| C5 | C6 | C7 | 109.9° | 108.8° |
| C6 | C5 | C4 | 116.1° | 109.4° |
| C6 | C5 | H10 | 107.8° | 109.4° |
| C6 | C5 | H11 | 107.8° | 109.5° |
| C5 | C6 | H12 | 109.6° | 109.7° |
| C6 | C7 | N1 | 107.8° | 109.0° |
| C7 | C6 | H12 | 109.6° | 109.7° |
| C6 | C7 | H21 | 107.9° | 109.5° |
| C5 | C4 | C3 | 113.6° | 109.5° |
| C5 | C4 | H8 | 108.4° | 109.5° |
| C5 | C4 | H9 | 108.4° | 109.4° |
| C4 | C5 | H10 | 107.8° | 109.5° |
| C4 | C5 | H11 | 107.8° | 109.5° |
| C7 | N1 | C3 | 117.3° | 118.4° |
| C7 | N1 | S1 | 119.0° | 120.9° |
| N1 | C7 | H21 | 108.5° | 109.5° |
| C4 | C3 | N1 | 107.0° | 108.9° |
| C4 | C3 | H6 | 110.1° | 109.6° |
| C4 | C3 | H7 | 110.1° | 109.6° |
| C3 | C4 | H8 | 108.4° | 109.5° |
| C3 | C4 | H9 | 108.4° | 109.5° |
| C3 | N1 | S1 | 123.7° | 120.7° |
| N1 | C3 | H6 | 110.1° | 109.6° |
| N1 | C3 | H7 | 110.1° | 109.6° |
| N1 | S1 | O1 | 111.4° | 104.3° |
| N1 | S1 | O2 | 107.1° | 104.2° |
| N1 | S1 | C2 | 111.8° | 104.4° |
| O1 | S1 | O2 | 103.7° | 121.0° |
| O1 | S1 | C2 | 111.6° | 110.6° |
| O2 | S1 | C2 | 110.8° | 110.5° |
| S1 | C2 | C1 | 112.9° | 109.5° |
| S1 | C2 | H4 | 108.6° | 109.5° |
| S1 | C2 | H5 | 108.6° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C1 | C2 | H4 | 108.6° | 109.4° |
| C1 | C2 | H5 | 108.6° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.6° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| H10 | C5 | H11 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.2° |
| H15 | C13 | H16 | 109.5° | 109.7° |
| H17 | C14 | H18 | 109.5° | 109.3° |
| H22 | C8 | H23 | 109.5° | 109.4° |
| H27 | C19 | H28 | 109.4° | 109.5° |
| H27 | C19 | H29 | 109.5° | 109.4° |
| H28 | C19 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C11 | H13 | 120.6° | 120.3° |
| C13 | C12 | C11 | H14 | 120.6° | 120.1° |
| C13 | C12 | C11 | C15 | 155.2° | 164.3° |
| C12 | C13 | N2 | H15 | 120.9° | 119.7° |
| C12 | C13 | N2 | H16 | 120.9° | 119.7° |
| C13 | C12 | C11 | C10 | 19.2° | 15.9° |
| C12 | C13 | N2 | C9 | 21.1° | 71.6° |
| C12 | C13 | N2 | C14 | 157.8° | 162.5° |
| C13 | C12 | H13 | H14 | 118.0° | 119.6° |
| C12 | C13 | H15 | H16 | 117.1° | 120.5° |
| C12 | C11 | C15 | C10 | 174.4° | 179.8° |
| C12 | C11 | C15 | C16 | 178.9° | 179.7° |
| C11 | C12 | C13 | N2 | 44.4° | 49.3° |
| C12 | C11 | C10 | C9 | 25.1° | 0.5° |
| C12 | C11 | C10 | C18 | 170.0° | 179.6° |
| C11 | C12 | H13 | H14 | 118.0° | 119.7° |
| C11 | C12 | C13 | H15 | 76.5° | 70.4° |
| C11 | C12 | C13 | H16 | 165.3° | 169.0° |
| C12 | C11 | C15 | H19 | 1.1° | 0.3° |
| C11 | C15 | C16 | H19 | 180.0° | 179.9° |
| C11 | C15 | C16 | O3 | 177.8° | 179.9° |
| C11 | C15 | C16 | C17 | 1.1° | 0.0° |
| C15 | C11 | C10 | C9 | 161.2° | 179.7° |
| C15 | C11 | C10 | C18 | 16.3° | 0.2° |
| C15 | C11 | C12 | H13 | 84.1° | 75.5° |
| C15 | C11 | C12 | H14 | 34.6° | 44.1° |
| C15 | C16 | O3 | C19 | 104.1° | 180.0° |
| C15 | C16 | O3 | C17 | 179.0° | 179.9° |
| C16 | C15 | C11 | C10 | 6.7° | 0.1° |
| C15 | C16 | C17 | C18 | 0.8° | 0.0° |
| C15 | C16 | C17 | H20 | 179.2° | 179.8° |
| C19 | O3 | C16 | C17 | 76.9° | 0.1° |
| O3 | C19 | H27 | H28 | 120.0° | 120.1° |
| O3 | C19 | H27 | H29 | 120.0° | 120.0° |
| O3 | C19 | H28 | H29 | 120.0° | 120.0° |
| O3 | C16 | C17 | C18 | 179.8° | 179.9° |
| O3 | C16 | C15 | H19 | 2.2° | 0.0° |
| O3 | C16 | C17 | H20 | 0.2° | 0.2° |
| C16 | O3 | C19 | H27 | 180.0° | 60.0° |
| C16 | O3 | C19 | H28 | 60.0° | 60.0° |
| C16 | O3 | C19 | H29 | 60.0° | 180.0° |
| C13 | N2 | C9 | C14 | 140.3° | 125.7° |
| C13 | N2 | C9 | C10 | 30.0° | 53.9° |
| C13 | N2 | C9 | C8 | 171.7° | 65.6° |
| C13 | N2 | C14 | C6 | 179.1° | 64.2° |
| N2 | C13 | C12 | H13 | 76.2° | 71.0° |
| N2 | C13 | C12 | H14 | 165.1° | 169.4° |
| N2 | C13 | H15 | H16 | 117.1° | 120.6° |
| C13 | N2 | C14 | H17 | 59.2° | 175.5° |
| C13 | N2 | C14 | H18 | 57.5° | 55.9° |
| C13 | N2 | C9 | H24 | 83.2° | 174.2° |
| C11 | C10 | C9 | N2 | 54.1° | 18.6° |
| C11 | C10 | C9 | C18 | 142.2° | 179.9° |
| C11 | C10 | C18 | C17 | 17.1° | 0.2° |
| C11 | C10 | C9 | C8 | 166.6° | 101.4° |
| C10 | C11 | C12 | H13 | 101.4° | 104.4° |
| C10 | C11 | C12 | H14 | 139.9° | 136.0° |
| C10 | C11 | C15 | H19 | 173.2° | 179.8° |
| C11 | C10 | C9 | H24 | 58.6° | 139.0° |
| C11 | C10 | C18 | H26 | 163.0° | 179.8° |
| C16 | C17 | C18 | C10 | 10.1° | 0.1° |
| C16 | C17 | C18 | H20 | 180.0° | 179.8° |
| C17 | C16 | C15 | H19 | 178.9° | 179.9° |
| C16 | C17 | C18 | H26 | 169.9° | 180.0° |
| N2 | C9 | C10 | C8 | 139.3° | 120.0° |
| N2 | C9 | C10 | H24 | 112.6° | 120.4° |
| N2 | C9 | C10 | C18 | 163.7° | 161.6° |
| N2 | C9 | C8 | H24 | 105.2° | 120.2° |
| C9 | N2 | C14 | C6 | 47.7° | 60.7° |
| N2 | C9 | C8 | C7 | 35.6° | 57.7° |
| C9 | N2 | C13 | H15 | 99.9° | 48.1° |
| C9 | N2 | C13 | H16 | 142.0° | 168.7° |
| C9 | N2 | C14 | H17 | 74.0° | 59.6° |
| C9 | N2 | C14 | H18 | 169.3° | 179.2° |
| N2 | C9 | C8 | H22 | 86.6° | 62.5° |
| N2 | C9 | C8 | H23 | 157.8° | 177.7° |
| C14 | N2 | C9 | C10 | 110.3° | 179.6° |
| C14 | N2 | C9 | C8 | 31.5° | 60.1° |
| N2 | C14 | C6 | H17 | 121.6° | 120.3° |
| N2 | C14 | C6 | H18 | 121.7° | 120.0° |
| N2 | C14 | C6 | C5 | 65.0° | 176.9° |
| N2 | C14 | C6 | C7 | 54.9° | 58.1° |
| N2 | C14 | C6 | H12 | 173.5° | 62.6° |
| C14 | N2 | C13 | H15 | 36.9° | 77.7° |
| C14 | N2 | C13 | H16 | 81.2° | 42.9° |
| N2 | C14 | H17 | H18 | 114.7° | 119.5° |
| C14 | N2 | C9 | H24 | 136.5° | 60.1° |
| C9 | C10 | C18 | C17 | 155.5° | 179.7° |
| C10 | C9 | C8 | H24 | 108.8° | 119.6° |
| C10 | C9 | C8 | C7 | 110.4° | 177.9° |
| C10 | C9 | C8 | H22 | 127.4° | 57.7° |
| C10 | C9 | C8 | H23 | 11.8° | 62.1° |
| C9 | C10 | C18 | H26 | 24.5° | 0.3° |
| C10 | C18 | C17 | H26 | 180.0° | 180.0° |
| C18 | C10 | C9 | C8 | 24.4° | 78.4° |
| C10 | C18 | C17 | H20 | 169.9° | 179.9° |
| C18 | C10 | C9 | H24 | 83.6° | 41.2° |
| C9 | C8 | C7 | H22 | 122.2° | 120.1° |
| C9 | C8 | C7 | H23 | 122.2° | 120.0° |
| C9 | C8 | C7 | C6 | 46.2° | 57.0° |
| C9 | C8 | C7 | N1 | 167.5° | 62.7° |
| C9 | C8 | C7 | H21 | 71.0° | 177.1° |
| C9 | C8 | H22 | H23 | 112.5° | 119.7° |
| C14 | C6 | C7 | C8 | 47.8° | 56.9° |
| C14 | C6 | C5 | C7 | 118.1° | 118.9° |
| C14 | C6 | C5 | H12 | 121.4° | 121.0° |
| C14 | C6 | C7 | H12 | 118.7° | 121.2° |
| C14 | C6 | C5 | C4 | 166.8° | 57.1° |
| C14 | C6 | C7 | N1 | 173.5° | 63.4° |
| C14 | C6 | C5 | H10 | 72.2° | 62.9° |
| C14 | C6 | C5 | H11 | 45.8° | 177.1° |
| C6 | C14 | H17 | H18 | 114.7° | 119.8° |
| C14 | C6 | C7 | H21 | 69.6° | 176.9° |
| C8 | C7 | C6 | C5 | 73.0° | 175.7° |
| C8 | C7 | C6 | N1 | 125.6° | 120.3° |
| C8 | C7 | C6 | H21 | 117.4° | 120.0° |
| C8 | C7 | N1 | H21 | 121.3° | 120.1° |
| C8 | C7 | N1 | C3 | 59.4° | 174.1° |
| C8 | C7 | N1 | S1 | 123.5° | 5.7° |
| C8 | C7 | C6 | H12 | 166.5° | 64.2° |
| C7 | C8 | H22 | H23 | 112.6° | 119.9° |
| C7 | C8 | C9 | H24 | 140.8° | 62.5° |
| C5 | C6 | C7 | H12 | 120.5° | 120.0° |
| C6 | C5 | C4 | H10 | 121.0° | 119.9° |
| C6 | C5 | C4 | H11 | 121.0° | 120.0° |
| C5 | C6 | C7 | N1 | 52.7° | 55.4° |
| C6 | C5 | C4 | C3 | 47.2° | 61.5° |
| C6 | C5 | C4 | H8 | 73.5° | 58.6° |
| C6 | C5 | C4 | H9 | 167.8° | 178.5° |
| C6 | C5 | H10 | H11 | 117.0° | 120.0° |
| C5 | C6 | C14 | H17 | 173.3° | 56.6° |
| C5 | C6 | C14 | H18 | 56.6° | 63.1° |
| C5 | C6 | C7 | H21 | 169.6° | 64.3° |
| C7 | C6 | C5 | C4 | 48.7° | 61.8° |
| C6 | C7 | N1 | H21 | 116.6° | 119.7° |
| C6 | C7 | N1 | C3 | 62.7° | 54.0° |
| C6 | C7 | N1 | S1 | 114.4° | 125.9° |
| C7 | C6 | C5 | H10 | 169.7° | 178.2° |
| C7 | C6 | C5 | H11 | 72.3° | 58.2° |
| C7 | C6 | C14 | H17 | 66.7° | 62.1° |
| C7 | C6 | C14 | H18 | 176.5° | 178.1° |
| C6 | C7 | C8 | H22 | 76.0° | 63.1° |
| C6 | C7 | C8 | H23 | 168.4° | 177.0° |
| C5 | C4 | C3 | H8 | 120.6° | 120.0° |
| C5 | C4 | C3 | H9 | 120.6° | 119.9° |
| C5 | C4 | C3 | N1 | 47.6° | 54.4° |
| C5 | C4 | C3 | H6 | 167.3° | 65.4° |
| C5 | C4 | C3 | H7 | 72.0° | 174.3° |
| C5 | C4 | H8 | H9 | 118.1° | 119.9° |
| C4 | C5 | H10 | H11 | 117.0° | 120.1° |
| C4 | C5 | C6 | H12 | 71.8° | 178.1° |
| C7 | N1 | C3 | C4 | 58.9° | 53.3° |
| C7 | N1 | C3 | S1 | 177.0° | 179.9° |
| C7 | N1 | S1 | O1 | 14.2° | 19.7° |
| C7 | N1 | S1 | O2 | 98.6° | 108.1° |
| C7 | N1 | S1 | C2 | 139.9° | 135.8° |
| C7 | N1 | C3 | H6 | 178.6° | 66.6° |
| C7 | N1 | C3 | H7 | 60.6° | 173.1° |
| N1 | C7 | C6 | H12 | 67.8° | 175.5° |
| N1 | C7 | C8 | H22 | 45.3° | 177.2° |
| N1 | C7 | C8 | H23 | 70.3° | 57.3° |
| C4 | C3 | N1 | H6 | 119.6° | 119.8° |
| C4 | C3 | N1 | H7 | 119.6° | 119.9° |
| C4 | C3 | N1 | S1 | 118.1° | 126.6° |
| C4 | C3 | H6 | H7 | 121.1° | 120.3° |
| C3 | C4 | H8 | H9 | 118.1° | 120.0° |
| C3 | C4 | C5 | H10 | 168.2° | 178.6° |
| C3 | C4 | C5 | H11 | 73.8° | 58.5° |
| C3 | N1 | S1 | O1 | 162.7° | 160.4° |
| C3 | N1 | S1 | O2 | 84.5° | 71.7° |
| C3 | N1 | S1 | C2 | 37.1° | 44.3° |
| N1 | C3 | H6 | H7 | 121.2° | 120.3° |
| N1 | C3 | C4 | H8 | 73.0° | 65.6° |
| N1 | C3 | C4 | H9 | 168.3° | 174.4° |
| C3 | N1 | C7 | H21 | 179.4° | 65.7° |
| N1 | S1 | O1 | O2 | 114.9° | 116.7° |
| N1 | S1 | O1 | C2 | 125.7° | 111.7° |
| N1 | S1 | O2 | C2 | 122.1° | 111.7° |
| N1 | S1 | C2 | C1 | 93.1° | 174.1° |
| N1 | S1 | C2 | H4 | 27.5° | 65.9° |
| N1 | S1 | C2 | H5 | 146.4° | 54.1° |
| S1 | N1 | C3 | H6 | 1.5° | 113.6° |
| S1 | N1 | C3 | H7 | 122.3° | 6.7° |
| S1 | N1 | C7 | H21 | 2.2° | 114.4° |
| O1 | S1 | O2 | C2 | 120.0° | 131.5° |
| O1 | S1 | C2 | C1 | 32.4° | 62.5° |
| O1 | S1 | C2 | H4 | 153.0° | 177.6° |
| O1 | S1 | C2 | H5 | 88.1° | 57.6° |
| O2 | S1 | C2 | C1 | 147.6° | 74.3° |
| O2 | S1 | C2 | H4 | 91.9° | 45.6° |
| O2 | S1 | C2 | H5 | 27.1° | 165.7° |
| S1 | C2 | C1 | H4 | 120.5° | 120.0° |
| S1 | C2 | C1 | H5 | 120.5° | 120.0° |
| S1 | C2 | C1 | H1 | 180.0° | 179.9° |
| S1 | C2 | C1 | H2 | 60.0° | 60.0° |
| S1 | C2 | C1 | H3 | 60.0° | 60.0° |
| S1 | C2 | H4 | H5 | 118.5° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.1° |
| C2 | C1 | H1 | H3 | 120.0° | 119.9° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 118.4° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 59.5° | 60.1° |
| H1 | C1 | C2 | H5 | 59.5° | 59.9° |
| H2 | C1 | C2 | H4 | 179.5° | 60.0° |
| H2 | C1 | C2 | H5 | 60.5° | 180.0° |
| H3 | C1 | C2 | H4 | 60.5° | 180.0° |
| H3 | C1 | C2 | H5 | 179.5° | 60.0° |
| H6 | C3 | C4 | H8 | 46.6° | 174.6° |
| H6 | C3 | C4 | H9 | 72.1° | 54.6° |
| H7 | C3 | C4 | H8 | 167.4° | 54.3° |
| H7 | C3 | C4 | H9 | 48.6° | 65.8° |
| H8 | C4 | C5 | H10 | 47.5° | 61.3° |
| H8 | C4 | C5 | H11 | 165.6° | 178.6° |
| H9 | C4 | C5 | H10 | 71.2° | 58.6° |
| H9 | C4 | C5 | H11 | 46.8° | 61.5° |
| H10 | C5 | C6 | H12 | 49.2° | 58.1° |
| H11 | C5 | C6 | H12 | 167.3° | 61.9° |
| H12 | C6 | C14 | H17 | 51.9° | 177.1° |
| H12 | C6 | C14 | H18 | 64.8° | 57.4° |
| H12 | C6 | C7 | H21 | 49.1° | 55.8° |
| H13 | C12 | C13 | H15 | 162.9° | 169.3° |
| H13 | C12 | C13 | H16 | 44.7° | 48.7° |
| H14 | C12 | C13 | H15 | 44.2° | 49.7° |
| H14 | C12 | C13 | H16 | 74.0° | 70.9° |
| H20 | C17 | C18 | H26 | 10.1° | 0.1° |
| H21 | C7 | C8 | H22 | 166.8° | 57.0° |
| H21 | C7 | C8 | H23 | 51.2° | 62.9° |
| H22 | C8 | C9 | H24 | 18.6° | 177.3° |
| H23 | C8 | C9 | H24 | 97.0° | 57.5° |
| H27 | C19 | H28 | H29 | 120.0° | 120.0° |
