L25
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C | sing | 1.51Å | 1.50Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C18 | O3 | sing | 1.43Å | 1.43Å | |
| C17 | N2 | sing | 1.47Å | 1.47Å | |
| C | N | sing | 1.35Å | 1.36Å | Aromatic |
| C | C2 | doub | 1.37Å | 1.39Å | Aromatic |
| O3 | C19 | sing | 1.43Å | 1.42Å | |
| N | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| O | C3 | doub | 1.21Å | 1.23Å | |
| O1 | C10 | doub | 1.22Å | 1.23Å | |
| O4 | S | doub | 1.42Å | 1.43Å | |
| C2 | C3 | sing | 1.46Å | 1.47Å | |
| C2 | C8 | sing | 1.42Å | 1.43Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C9 | C10 | sing | 1.47Å | 1.47Å | |
| C9 | C8 | doub | 1.36Å | 1.40Å | Aromatic |
| N2 | S | sing | 1.66Å | 1.63Å | |
| N2 | C20 | sing | 1.47Å | 1.47Å | |
| C19 | C20 | sing | 1.53Å | 1.50Å | |
| C10 | N1 | sing | 1.35Å | 1.36Å | |
| C4 | C5 | sing | 1.52Å | 1.53Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| S | O5 | doub | 1.42Å | 1.43Å | |
| S | C16 | sing | 1.76Å | 1.76Å | |
| C21 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | C11 | sing | 1.40Å | 1.41Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.54Å | 1.52Å | |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | O2 | sing | 1.36Å | 1.37Å | |
| C12 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| O2 | C13 | sing | 1.43Å | 1.43Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.08Å | 1.08Å | |
| N | H24 | sing | 0.97Å | 1.00Å | |
| C1 | H25 | sing | 1.09Å | 1.10Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å | |
| C1 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C | N | 120.8° | 125.9° |
| C1 | C | C2 | 131.7° | 126.0° |
| C | C1 | H25 | 109.5° | 109.5° |
| C | C1 | H26 | 109.5° | 109.4° |
| C | C1 | H27 | 109.5° | 109.5° |
| C17 | C18 | O3 | 111.7° | 109.3° |
| C18 | C17 | N2 | 108.1° | 108.4° |
| C18 | C17 | H15 | 109.8° | 109.7° |
| C18 | C17 | H16 | 109.8° | 109.7° |
| C17 | C18 | H17 | 108.9° | 109.5° |
| C17 | C18 | H18 | 108.9° | 109.5° |
| C18 | O3 | C19 | 110.1° | 114.2° |
| O3 | C18 | H17 | 108.9° | 109.5° |
| O3 | C18 | H18 | 108.9° | 109.5° |
| C17 | N2 | S | 118.2° | 121.0° |
| C17 | N2 | C20 | 112.0° | 118.1° |
| N2 | C17 | H15 | 109.8° | 109.7° |
| N2 | C17 | H16 | 109.8° | 109.6° |
| N | C | C2 | 107.5° | 108.1° |
| C | N | C9 | 110.6° | 109.4° |
| C | N | H24 | 124.7° | 125.3° |
| C | C2 | C3 | 124.2° | 130.9° |
| C | C2 | C8 | 107.7° | 107.6° |
| O3 | C19 | C20 | 111.5° | 109.2° |
| O3 | C19 | H19 | 109.0° | 109.5° |
| O3 | C19 | H20 | 109.0° | 109.6° |
| N | C9 | C10 | 119.2° | 125.8° |
| N | C9 | C8 | 107.9° | 108.4° |
| C9 | N | H24 | 124.7° | 125.3° |
| O | C3 | C2 | 121.0° | 121.3° |
| O | C3 | C4 | 120.1° | 121.3° |
| O1 | C10 | C9 | 120.3° | 120.0° |
| O1 | C10 | N1 | 124.1° | 120.0° |
| O4 | S | N2 | 106.6° | 106.4° |
| O4 | S | O5 | 119.9° | 123.1° |
| O4 | S | C16 | 108.2° | 106.4° |
| C3 | C2 | C8 | 128.2° | 121.5° |
| C2 | C3 | C4 | 118.9° | 117.4° |
| C2 | C8 | C9 | 106.3° | 106.6° |
| C2 | C8 | C7 | 120.5° | 125.2° |
| C3 | C4 | C5 | 113.1° | 109.9° |
| C3 | C4 | H2 | 108.6° | 109.5° |
| C3 | C4 | H3 | 108.6° | 109.4° |
| C10 | C9 | C8 | 132.9° | 125.9° |
| C9 | C10 | N1 | 115.6° | 120.0° |
| C9 | C8 | C7 | 133.1° | 128.2° |
| S | N2 | C20 | 117.2° | 120.9° |
| N2 | S | O5 | 106.7° | 106.4° |
| N2 | S | C16 | 106.5° | 107.2° |
| N2 | C20 | C19 | 108.2° | 108.4° |
| N2 | C20 | H21 | 109.8° | 109.7° |
| N2 | C20 | H22 | 109.8° | 109.7° |
| C20 | C19 | H19 | 108.9° | 109.5° |
| C20 | C19 | H20 | 109.0° | 109.5° |
| C19 | C20 | H21 | 109.8° | 109.7° |
| C19 | C20 | H22 | 109.8° | 109.7° |
| C10 | N1 | C11 | 129.1° | 120.0° |
| C10 | N1 | H1 | 115.5° | 120.0° |
| C4 | C5 | C6 | 115.0° | 109.3° |
| C5 | C4 | H2 | 108.5° | 109.3° |
| C5 | C4 | H3 | 108.5° | 109.4° |
| C4 | C5 | H4 | 108.1° | 109.5° |
| C4 | C5 | H5 | 108.1° | 109.5° |
| C8 | C7 | C6 | 114.4° | 109.0° |
| C8 | C7 | H8 | 108.2° | 109.5° |
| C8 | C7 | H9 | 108.2° | 109.6° |
| O5 | S | C16 | 108.2° | 106.4° |
| S | C16 | C21 | 118.9° | 119.9° |
| S | C16 | C15 | 119.6° | 119.9° |
| C16 | C21 | C11 | 119.3° | 120.0° |
| C21 | C16 | C15 | 121.2° | 120.1° |
| C16 | C21 | H23 | 120.4° | 119.9° |
| C21 | C11 | N1 | 123.7° | 120.1° |
| C21 | C11 | C12 | 119.5° | 119.8° |
| C11 | C21 | H23 | 120.4° | 120.0° |
| N1 | C11 | C12 | 116.9° | 120.1° |
| C11 | N1 | H1 | 115.5° | 120.0° |
| C7 | C6 | C5 | 115.0° | 111.4° |
| C7 | C6 | H6 | 108.1° | 109.1° |
| C7 | C6 | H7 | 108.1° | 109.1° |
| C6 | C7 | H8 | 108.2° | 109.6° |
| C6 | C7 | H9 | 108.2° | 109.5° |
| C16 | C15 | C14 | 119.5° | 120.2° |
| C16 | C15 | H14 | 120.2° | 119.9° |
| C11 | C12 | O2 | 114.8° | 120.1° |
| C11 | C12 | C14 | 120.7° | 119.9° |
| C6 | C5 | H4 | 108.1° | 109.5° |
| C6 | C5 | H5 | 108.1° | 109.5° |
| C5 | C6 | H6 | 108.1° | 109.1° |
| C5 | C6 | H7 | 108.0° | 109.0° |
| C15 | C14 | C12 | 119.8° | 120.0° |
| C15 | C14 | H13 | 120.1° | 120.0° |
| C14 | C15 | H14 | 120.2° | 119.9° |
| O2 | C12 | C14 | 124.4° | 120.1° |
| C12 | O2 | C13 | 117.6° | 117.0° |
| C12 | C14 | H13 | 120.1° | 120.0° |
| O2 | C13 | H10 | 109.5° | 109.5° |
| O2 | C13 | H11 | 109.5° | 109.5° |
| O2 | C13 | H12 | 109.5° | 109.5° |
| H2 | C4 | H3 | 109.5° | 109.3° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.1° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.4° |
| H10 | C13 | H12 | 109.4° | 109.4° |
| H11 | C13 | H12 | 109.4° | 109.5° |
| H15 | C17 | H16 | 109.5° | 109.8° |
| H17 | C18 | H18 | 109.5° | 109.5° |
| H19 | C19 | H20 | 109.4° | 109.6° |
| H21 | C20 | H22 | 109.5° | 109.7° |
| H25 | C1 | H26 | 109.5° | 109.5° |
| H25 | C1 | H27 | 109.5° | 109.5° |
| H26 | C1 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C | N | C2 | 179.3° | 179.9° |
| C1 | C | N | C9 | 178.7° | 179.4° |
| C1 | C | C2 | C3 | 2.2° | 1.8° |
| C1 | C | C2 | C8 | 178.9° | 178.8° |
| C1 | C | N | H24 | 1.3° | 0.6° |
| C | C1 | H25 | H26 | 120.0° | 120.0° |
| C | C1 | H25 | H27 | 120.0° | 120.0° |
| C | C1 | H26 | H27 | 120.0° | 120.0° |
| C17 | C18 | O3 | H17 | 120.3° | 120.0° |
| C17 | C18 | O3 | H18 | 120.4° | 119.9° |
| C18 | C17 | N2 | H15 | 119.8° | 119.8° |
| C18 | C17 | N2 | H16 | 119.8° | 119.6° |
| C17 | C18 | O3 | C19 | 60.0° | 62.6° |
| C18 | C17 | N2 | S | 162.8° | 129.5° |
| C18 | C17 | N2 | C20 | 56.3° | 50.5° |
| C18 | C17 | H15 | H16 | 120.7° | 120.6° |
| C17 | C18 | H17 | H18 | 119.0° | 120.1° |
| O3 | C18 | C17 | N2 | 57.4° | 52.2° |
| C18 | O3 | C19 | C20 | 60.1° | 62.6° |
| O3 | C18 | C17 | H15 | 62.4° | 172.0° |
| O3 | C18 | C17 | H16 | 177.1° | 67.4° |
| O3 | C18 | H17 | H18 | 119.0° | 120.1° |
| C18 | O3 | C19 | H19 | 60.2° | 57.3° |
| C18 | O3 | C19 | H20 | 179.5° | 177.5° |
| C17 | N2 | S | O4 | 47.1° | 23.6° |
| C17 | N2 | S | C20 | 138.9° | 180.0° |
| C17 | N2 | C20 | C19 | 56.5° | 50.5° |
| C17 | N2 | S | O5 | 82.1° | 156.4° |
| C17 | N2 | S | C16 | 162.5° | 90.0° |
| N2 | C17 | H15 | H16 | 120.6° | 120.5° |
| N2 | C17 | C18 | H17 | 62.9° | 172.2° |
| N2 | C17 | C18 | H18 | 177.7° | 67.7° |
| C17 | N2 | C20 | H21 | 63.3° | 69.2° |
| C17 | N2 | C20 | H22 | 176.3° | 170.3° |
| C | N | C9 | H24 | 180.0° | 180.0° |
| N | C | C2 | C3 | 178.5° | 178.3° |
| N | C | C2 | C8 | 0.3° | 1.1° |
| C | N | C9 | C10 | 179.0° | 179.6° |
| C | N | C9 | C8 | 0.7° | 0.4° |
| N | C | C1 | H25 | 90.3° | 90.0° |
| N | C | C1 | H26 | 149.7° | 150.0° |
| N | C | C1 | H27 | 29.7° | 30.0° |
| C2 | C | N | C9 | 0.6° | 0.5° |
| C | C2 | C3 | O | 21.9° | 43.1° |
| C | C2 | C3 | C8 | 178.6° | 179.4° |
| C | C2 | C3 | C4 | 158.5° | 136.8° |
| C | C2 | C8 | C9 | 0.1° | 1.4° |
| C | C2 | C8 | C7 | 178.3° | 177.4° |
| C2 | C | N | H24 | 179.4° | 179.5° |
| C2 | C | C1 | H25 | 90.5° | 89.9° |
| C2 | C | C1 | H26 | 29.5° | 30.1° |
| C2 | C | C1 | H27 | 149.5° | 150.1° |
| O3 | C19 | C20 | N2 | 57.7° | 52.3° |
| O3 | C19 | C20 | H19 | 120.3° | 119.9° |
| O3 | C19 | C20 | H20 | 120.3° | 120.0° |
| C19 | O3 | C18 | H17 | 60.3° | 177.4° |
| C19 | O3 | C18 | H18 | 179.7° | 57.4° |
| O3 | C19 | H19 | H20 | 119.1° | 120.2° |
| O3 | C19 | C20 | H21 | 62.0° | 67.4° |
| O3 | C19 | C20 | H22 | 177.6° | 172.0° |
| N | C9 | C10 | O1 | 4.7° | 180.0° |
| N | C9 | C8 | C2 | 0.5° | 1.1° |
| N | C9 | C10 | C8 | 177.8° | 180.0° |
| N | C9 | C10 | N1 | 177.5° | 0.0° |
| N | C9 | C8 | C7 | 177.6° | 177.6° |
| O | C3 | C2 | C4 | 179.6° | 180.0° |
| O | C3 | C2 | C8 | 159.5° | 137.5° |
| O | C3 | C4 | C5 | 105.2° | 91.8° |
| O | C3 | C4 | H2 | 15.3° | 28.3° |
| O | C3 | C4 | H3 | 134.2° | 148.1° |
| O1 | C10 | C9 | N1 | 177.8° | 180.0° |
| O1 | C10 | C9 | C8 | 173.1° | 0.0° |
| O1 | C10 | N1 | C11 | 6.6° | 5.5° |
| O1 | C10 | N1 | H1 | 173.3° | 174.7° |
| O4 | S | N2 | O5 | 129.2° | 132.9° |
| O4 | S | N2 | C16 | 115.4° | 113.6° |
| O4 | S | N2 | C20 | 174.0° | 156.4° |
| O4 | S | O5 | C16 | 124.7° | 123.0° |
| O4 | S | C16 | C21 | 24.8° | 23.8° |
| O4 | S | C16 | C15 | 161.6° | 156.4° |
| C3 | C2 | C8 | C9 | 178.9° | 178.1° |
| C2 | C3 | C4 | C5 | 74.4° | 88.3° |
| C3 | C2 | C8 | C7 | 0.5° | 3.1° |
| C2 | C3 | C4 | H2 | 165.1° | 151.6° |
| C2 | C3 | C4 | H3 | 46.1° | 31.9° |
| C8 | C2 | C3 | C4 | 20.1° | 42.5° |
| C2 | C8 | C9 | C10 | 178.5° | 178.9° |
| C2 | C8 | C9 | C7 | 178.1° | 178.7° |
| C2 | C8 | C7 | C6 | 48.0° | 27.8° |
| C2 | C8 | C7 | H8 | 72.7° | 92.1° |
| C2 | C8 | C7 | H9 | 168.8° | 147.7° |
| C3 | C4 | C5 | H2 | 120.6° | 120.2° |
| C3 | C4 | C5 | H3 | 120.5° | 120.1° |
| C3 | C4 | C5 | C6 | 55.8° | 32.5° |
| C3 | C4 | H2 | H3 | 118.4° | 119.8° |
| C3 | C4 | C5 | H4 | 65.1° | 152.5° |
| C3 | C4 | C5 | H5 | 176.6° | 87.4° |
| C10 | C9 | C8 | C7 | 0.4° | 2.4° |
| C9 | C10 | N1 | C11 | 175.6° | 174.5° |
| C9 | C10 | N1 | H1 | 4.4° | 5.3° |
| C10 | C9 | N | H24 | 1.0° | 0.5° |
| C8 | C9 | C10 | N1 | 4.7° | 179.9° |
| C9 | C8 | C7 | C6 | 134.1° | 150.7° |
| C9 | C8 | C7 | H8 | 105.1° | 89.4° |
| C9 | C8 | C7 | H9 | 13.4° | 30.8° |
| C8 | C9 | N | H24 | 179.3° | 179.6° |
| S | N2 | C20 | C19 | 162.1° | 129.5° |
| N2 | S | O5 | C16 | 114.2° | 114.1° |
| N2 | S | C16 | C21 | 89.5° | 89.8° |
| N2 | S | C16 | C15 | 84.1° | 90.0° |
| S | N2 | C17 | H15 | 77.4° | 9.7° |
| S | N2 | C17 | H16 | 43.0° | 110.8° |
| S | N2 | C20 | H21 | 78.0° | 110.8° |
| S | N2 | C20 | H22 | 42.3° | 9.7° |
| N2 | C20 | C19 | H21 | 119.8° | 119.7° |
| N2 | C20 | C19 | H22 | 119.8° | 119.8° |
| C20 | N2 | S | O5 | 56.8° | 23.5° |
| C20 | N2 | S | C16 | 58.6° | 90.0° |
| C20 | N2 | C17 | H15 | 63.5° | 170.2° |
| C20 | N2 | C17 | H16 | 176.1° | 69.2° |
| N2 | C20 | C19 | H19 | 62.6° | 67.6° |
| N2 | C20 | C19 | H20 | 178.1° | 172.2° |
| N2 | C20 | H21 | H22 | 120.6° | 120.6° |
| C20 | C19 | H19 | H20 | 119.1° | 120.1° |
| C19 | C20 | H21 | H22 | 120.6° | 120.5° |
| C10 | N1 | C11 | C21 | 24.2° | 24.8° |
| C10 | N1 | C11 | H1 | 180.0° | 179.8° |
| C10 | N1 | C11 | C12 | 157.0° | 154.9° |
| C4 | C5 | C6 | C7 | 26.6° | 60.8° |
| C4 | C5 | C6 | H4 | 120.8° | 119.9° |
| C4 | C5 | C6 | H5 | 120.8° | 119.9° |
| C5 | C4 | H2 | H3 | 118.3° | 119.7° |
| C4 | C5 | H4 | H5 | 117.5° | 120.0° |
| C4 | C5 | C6 | H6 | 147.4° | 178.7° |
| C4 | C5 | C6 | H7 | 94.2° | 59.6° |
| C8 | C7 | C6 | H8 | 120.7° | 119.9° |
| C8 | C7 | C6 | H9 | 120.8° | 120.0° |
| C8 | C7 | C6 | C5 | 83.3° | 91.2° |
| C8 | C7 | C6 | H6 | 155.9° | 148.3° |
| C8 | C7 | C6 | H7 | 37.5° | 29.3° |
| C8 | C7 | H8 | H9 | 117.7° | 120.3° |
| O5 | S | C16 | C21 | 156.2° | 156.7° |
| O5 | S | C16 | C15 | 30.2° | 23.5° |
| S | C16 | C21 | C15 | 173.5° | 179.8° |
| S | C16 | C21 | C11 | 170.5° | 179.7° |
| S | C16 | C15 | C14 | 170.5° | 180.0° |
| S | C16 | C15 | H14 | 9.5° | 0.1° |
| S | C16 | C21 | H23 | 9.5° | 0.2° |
| C16 | C21 | C11 | H23 | 180.0° | 179.5° |
| C16 | C21 | C11 | N1 | 177.9° | 179.7° |
| C16 | C21 | C11 | C12 | 0.8° | 0.5° |
| C21 | C16 | C15 | C14 | 3.0° | 0.2° |
| C21 | C16 | C15 | H14 | 177.0° | 179.7° |
| C21 | C11 | N1 | C12 | 178.7° | 179.7° |
| C11 | C21 | C16 | C15 | 3.0° | 0.5° |
| C21 | C11 | C12 | O2 | 175.9° | 179.7° |
| C21 | C11 | C12 | C14 | 1.5° | 0.3° |
| C21 | C11 | N1 | H1 | 155.8° | 155.0° |
| N1 | C11 | C12 | O2 | 2.9° | 0.0° |
| N1 | C11 | C12 | C14 | 179.7° | 180.0° |
| N1 | C11 | C21 | H23 | 2.1° | 0.2° |
| C7 | C6 | C5 | H6 | 120.8° | 120.5° |
| C7 | C6 | C5 | H7 | 120.8° | 120.4° |
| C7 | C6 | C5 | H4 | 147.4° | 59.1° |
| C7 | C6 | C5 | H5 | 94.2° | 179.3° |
| C7 | C6 | H6 | H7 | 117.5° | 119.1° |
| C6 | C7 | H8 | H9 | 117.8° | 120.2° |
| C16 | C15 | C14 | H14 | 180.0° | 180.0° |
| C16 | C15 | C14 | C12 | 0.6° | 0.0° |
| C16 | C15 | C14 | H13 | 179.4° | 180.0° |
| C15 | C16 | C21 | H23 | 177.0° | 180.0° |
| C11 | C12 | C14 | C15 | 1.6° | 0.0° |
| C11 | C12 | O2 | C14 | 177.3° | 180.0° |
| C11 | C12 | O2 | C13 | 173.2° | 180.0° |
| C12 | C11 | N1 | H1 | 23.0° | 25.3° |
| C11 | C12 | C14 | H13 | 178.4° | 180.0° |
| C12 | C11 | C21 | H23 | 179.2° | 180.0° |
| C6 | C5 | C4 | H2 | 176.3° | 152.7° |
| C6 | C5 | C4 | H3 | 64.8° | 87.6° |
| C6 | C5 | H4 | H5 | 117.5° | 120.1° |
| C5 | C6 | H6 | H7 | 117.4° | 119.0° |
| C5 | C6 | C7 | H8 | 37.4° | 28.7° |
| C5 | C6 | C7 | H9 | 155.9° | 148.9° |
| C15 | C14 | C12 | O2 | 175.6° | 180.0° |
| C15 | C14 | C12 | H13 | 180.0° | 180.0° |
| C12 | O2 | C13 | H10 | 180.0° | 60.0° |
| C12 | O2 | C13 | H11 | 60.0° | 60.0° |
| C12 | O2 | C13 | H12 | 60.0° | 180.0° |
| O2 | C12 | C14 | H13 | 4.4° | 0.0° |
| C14 | C12 | O2 | C13 | 4.1° | 0.0° |
| C12 | C14 | C15 | H14 | 179.4° | 180.0° |
| O2 | C13 | H10 | H11 | 120.0° | 120.0° |
| O2 | C13 | H10 | H12 | 120.0° | 120.0° |
| O2 | C13 | H11 | H12 | 120.0° | 120.1° |
| H2 | C4 | C5 | H4 | 55.5° | 87.3° |
| H2 | C4 | C5 | H5 | 62.9° | 32.8° |
| H3 | C4 | C5 | H4 | 174.4° | 32.4° |
| H3 | C4 | C5 | H5 | 56.0° | 152.4° |
| H4 | C5 | C6 | H6 | 91.8° | 61.4° |
| H4 | C5 | C6 | H7 | 26.6° | 179.6° |
| H5 | C5 | C6 | H6 | 26.6° | 58.7° |
| H5 | C5 | C6 | H7 | 145.0° | 60.3° |
| H6 | C6 | C7 | H8 | 83.4° | 91.8° |
| H6 | C6 | C7 | H9 | 35.1° | 28.4° |
| H7 | C6 | C7 | H8 | 158.2° | 149.1° |
| H7 | C6 | C7 | H9 | 83.3° | 90.7° |
| H10 | C13 | H11 | H12 | 119.9° | 120.0° |
| H13 | C14 | C15 | H14 | 0.6° | 0.0° |
| H15 | C17 | C18 | H17 | 177.3° | 68.0° |
| H15 | C17 | C18 | H18 | 57.9° | 52.1° |
| H16 | C17 | C18 | H17 | 56.8° | 52.6° |
| H16 | C17 | C18 | H18 | 62.5° | 172.7° |
| H19 | C19 | C20 | H21 | 177.6° | 172.7° |
| H19 | C19 | C20 | H22 | 57.2° | 52.1° |
| H20 | C19 | C20 | H21 | 58.3° | 52.5° |
| H20 | C19 | C20 | H22 | 62.1° | 68.0° |
| H25 | C1 | H26 | H27 | 120.0° | 120.0° |
