J2E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C13 | sing | 1.50Å | 1.53Å | |
| C12 | C11 | sing | 1.54Å | 1.53Å | |
| C13 | C7 | sing | 1.54Å | 1.54Å | |
| O2 | C14 | doub | 1.21Å | 1.21Å | |
| C11 | C10 | sing | 1.54Å | 1.53Å | |
| C17 | C15 | sing | 1.53Å | 1.54Å | |
| C7 | N2 | sing | 1.47Å | 1.49Å | |
| C7 | C8 | sing | 1.46Å | 1.54Å | |
| C14 | N2 | sing | 1.35Å | 1.36Å | |
| C14 | C15 | sing | 1.52Å | 1.52Å | |
| N2 | N1 | sing | 1.39Å | 1.37Å | |
| C15 | C6 | sing | 1.51Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| N1 | C6 | doub | 1.29Å | 1.29Å | |
| C22 | C21 | sing | 1.55Å | 1.51Å | |
| C22 | C23 | sing | 1.55Å | 1.49Å | |
| C10 | C9 | sing | 1.50Å | 1.52Å | |
| C9 | C8 | sing | 1.54Å | 1.53Å | |
| C6 | C5 | sing | 1.47Å | 1.46Å | |
| C21 | C20 | sing | 1.54Å | 1.52Å | |
| C20 | C24 | sing | 1.54Å | 1.53Å | |
| C20 | O3 | sing | 1.43Å | 1.46Å | |
| C23 | C24 | sing | 1.54Å | 1.52Å | |
| C18 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| O3 | C19 | sing | 1.36Å | 1.38Å | |
| C19 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.37Å | |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.09Å | 1.10Å | |
| C8 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.08Å | 1.08Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C11 | 115.8° | 112.5° |
| C12 | C13 | C7 | 118.9° | 108.5° |
| C12 | C13 | H7 | 107.1° | 109.6° |
| C12 | C13 | H8 | 107.1° | 109.7° |
| C13 | C12 | H9 | 107.9° | 108.9° |
| C13 | C12 | H10 | 107.9° | 108.9° |
| C12 | C11 | C10 | 115.1° | 112.8° |
| C11 | C12 | H9 | 107.9° | 108.9° |
| C11 | C12 | H10 | 107.9° | 108.9° |
| C12 | C11 | H11 | 108.1° | 108.8° |
| C12 | C11 | H12 | 108.1° | 108.8° |
| C13 | C7 | N2 | 109.2° | 108.9° |
| C13 | C7 | C8 | 115.2° | 112.4° |
| C13 | C7 | H1 | 107.7° | 108.9° |
| C7 | C13 | H7 | 107.1° | 109.7° |
| C7 | C13 | H8 | 107.1° | 109.7° |
| O2 | C14 | N2 | 128.6° | 127.4° |
| O2 | C14 | C15 | 125.2° | 127.3° |
| C11 | C10 | C9 | 115.7° | 112.5° |
| C10 | C11 | H11 | 108.0° | 108.8° |
| C10 | C11 | H12 | 108.1° | 108.8° |
| C11 | C10 | H19 | 107.9° | 108.8° |
| C11 | C10 | H20 | 107.9° | 108.9° |
| C17 | C15 | C14 | 111.3° | 110.6° |
| C17 | C15 | C6 | 112.7° | 110.5° |
| C17 | C15 | C16 | 111.3° | 110.5° |
| C15 | C17 | H16 | 109.5° | 109.5° |
| C15 | C17 | H17 | 109.5° | 109.5° |
| C15 | C17 | H18 | 109.4° | 109.5° |
| N2 | C7 | C8 | 108.6° | 108.9° |
| C7 | N2 | C14 | 127.5° | 124.3° |
| C7 | N2 | N1 | 118.8° | 124.4° |
| N2 | C7 | H1 | 108.3° | 108.9° |
| C7 | C8 | C9 | 118.5° | 112.4° |
| C8 | C7 | H1 | 107.7° | 108.9° |
| C7 | C8 | H23 | 107.2° | 108.9° |
| C7 | C8 | H24 | 107.1° | 109.0° |
| N2 | C14 | C15 | 106.2° | 105.3° |
| C14 | N2 | N1 | 113.7° | 111.3° |
| C14 | C15 | C6 | 98.4° | 103.7° |
| C14 | C15 | C16 | 110.5° | 110.6° |
| N2 | N1 | C6 | 106.8° | 112.8° |
| C6 | C15 | C16 | 112.1° | 110.9° |
| C15 | C6 | N1 | 113.6° | 106.9° |
| C15 | C6 | C5 | 127.1° | 126.5° |
| C15 | C16 | H13 | 109.5° | 109.5° |
| C15 | C16 | H14 | 109.4° | 109.5° |
| C15 | C16 | H15 | 109.5° | 109.5° |
| N1 | C6 | C5 | 119.2° | 126.6° |
| C21 | C22 | C23 | 104.3° | 102.7° |
| C22 | C21 | C20 | 104.3° | 104.2° |
| C22 | C21 | H27 | 110.8° | 110.5° |
| C22 | C21 | H28 | 110.8° | 110.6° |
| C21 | C22 | H29 | 110.8° | 110.8° |
| C21 | C22 | H30 | 110.8° | 110.7° |
| C22 | C23 | C24 | 106.0° | 104.2° |
| C23 | C22 | H29 | 110.8° | 110.8° |
| C23 | C22 | H30 | 110.8° | 110.7° |
| C22 | C23 | H31 | 110.3° | 110.5° |
| C22 | C23 | H32 | 110.3° | 110.5° |
| C10 | C9 | C8 | 115.0° | 108.5° |
| C9 | C10 | H19 | 107.9° | 108.9° |
| C9 | C10 | H20 | 107.9° | 108.9° |
| C10 | C9 | H21 | 108.0° | 109.6° |
| C10 | C9 | H22 | 108.1° | 109.6° |
| C8 | C9 | H21 | 108.1° | 109.6° |
| C8 | C9 | H22 | 108.1° | 109.6° |
| C9 | C8 | H23 | 107.1° | 108.9° |
| C9 | C8 | H24 | 107.2° | 108.9° |
| C6 | C5 | C18 | 117.5° | 120.0° |
| C6 | C5 | C4 | 122.7° | 120.1° |
| C21 | C20 | C24 | 105.7° | 106.6° |
| C21 | C20 | O3 | 109.2° | 110.1° |
| C21 | C20 | H26 | 110.7° | 110.1° |
| C20 | C21 | H27 | 110.7° | 110.5° |
| C20 | C21 | H28 | 110.8° | 110.5° |
| C24 | C20 | O3 | 108.9° | 110.0° |
| C20 | C24 | C23 | 106.0° | 106.6° |
| C24 | C20 | H26 | 110.5° | 110.0° |
| C20 | C24 | H33 | 110.4° | 110.0° |
| C20 | C24 | H34 | 110.3° | 110.0° |
| C20 | O3 | C19 | 118.9° | 117.0° |
| O3 | C20 | H26 | 111.6° | 110.0° |
| C24 | C23 | H31 | 110.3° | 110.5° |
| C24 | C23 | H32 | 110.3° | 110.5° |
| C23 | C24 | H33 | 110.3° | 110.0° |
| C23 | C24 | H34 | 110.3° | 110.1° |
| C5 | C18 | C19 | 120.5° | 119.8° |
| C18 | C5 | C4 | 119.8° | 119.8° |
| C5 | C18 | H25 | 119.7° | 120.1° |
| C18 | C19 | O3 | 119.4° | 120.0° |
| C18 | C19 | C2 | 119.4° | 120.0° |
| C19 | C18 | H25 | 119.8° | 120.1° |
| C5 | C4 | C3 | 120.3° | 120.0° |
| C5 | C4 | H5 | 119.8° | 120.0° |
| O3 | C19 | C2 | 121.1° | 120.0° |
| C19 | C2 | C3 | 119.7° | 120.2° |
| C19 | C2 | O1 | 114.3° | 119.9° |
| C4 | C3 | C2 | 120.2° | 120.2° |
| C3 | C4 | H5 | 119.8° | 120.0° |
| C4 | C3 | H6 | 119.9° | 119.9° |
| C3 | C2 | O1 | 125.9° | 119.9° |
| C2 | C3 | H6 | 119.9° | 119.9° |
| C2 | O1 | C1 | 118.1° | 117.0° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C1 | H4 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H4 | 109.4° | 109.5° |
| H3 | C1 | H4 | 109.5° | 109.4° |
| H7 | C13 | H8 | 109.4° | 109.6° |
| H9 | C12 | H10 | 109.5° | 108.8° |
| H11 | C11 | H12 | 109.5° | 108.7° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H13 | C16 | H15 | 109.5° | 109.4° |
| H14 | C16 | H15 | 109.5° | 109.4° |
| H16 | C17 | H17 | 109.4° | 109.5° |
| H16 | C17 | H18 | 109.5° | 109.4° |
| H17 | C17 | H18 | 109.5° | 109.5° |
| H19 | C10 | H20 | 109.5° | 108.8° |
| H21 | C9 | H22 | 109.4° | 109.8° |
| H23 | C8 | H24 | 109.5° | 108.8° |
| H27 | C21 | H28 | 109.5° | 110.4° |
| H29 | C22 | H30 | 109.5° | 110.9° |
| H31 | C23 | H32 | 109.5° | 110.5° |
| H33 | C24 | H34 | 109.4° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C11 | H9 | 120.9° | 120.8° |
| C13 | C12 | C11 | H10 | 120.9° | 120.7° |
| C12 | C13 | C7 | H7 | 121.4° | 119.7° |
| C12 | C13 | C7 | H8 | 121.4° | 119.8° |
| C13 | C12 | C11 | C10 | 49.1° | 41.7° |
| C12 | C13 | C7 | N2 | 178.3° | 159.2° |
| C12 | C13 | C7 | C8 | 55.8° | 80.1° |
| C12 | C13 | C7 | H1 | 64.3° | 40.7° |
| C12 | C13 | H7 | H8 | 115.7° | 120.5° |
| C13 | C12 | H9 | H10 | 117.1° | 118.5° |
| C13 | C12 | C11 | H11 | 71.7° | 79.1° |
| C13 | C12 | C11 | H12 | 169.9° | 162.6° |
| C11 | C12 | C13 | C7 | 86.0° | 94.2° |
| C12 | C11 | C10 | H11 | 120.8° | 120.8° |
| C12 | C11 | C10 | H12 | 120.8° | 120.9° |
| C12 | C11 | C10 | C9 | 28.0° | 41.7° |
| C11 | C12 | C13 | H7 | 152.7° | 25.6° |
| C11 | C12 | C13 | H8 | 35.4° | 146.0° |
| C11 | C12 | H9 | H10 | 117.1° | 118.5° |
| C12 | C11 | H11 | H12 | 117.5° | 118.4° |
| C12 | C11 | C10 | H19 | 93.0° | 79.0° |
| C12 | C11 | C10 | H20 | 148.8° | 162.5° |
| C13 | C7 | N2 | C8 | 126.4° | 122.8° |
| C13 | C7 | N2 | H1 | 116.9° | 118.6° |
| C13 | C7 | C8 | H1 | 120.1° | 120.7° |
| C13 | C7 | N2 | C14 | 125.6° | 117.2° |
| C13 | C7 | N2 | N1 | 55.1° | 62.8° |
| C13 | C7 | C8 | C9 | 41.3° | 62.0° |
| C7 | C13 | H7 | H8 | 115.7° | 120.4° |
| C7 | C13 | C12 | H9 | 153.1° | 145.1° |
| C7 | C13 | C12 | H10 | 34.9° | 26.6° |
| C13 | C7 | C8 | H23 | 162.5° | 177.3° |
| C13 | C7 | C8 | H24 | 80.0° | 58.8° |
| O2 | C14 | C15 | C17 | 58.7° | 61.4° |
| O2 | C14 | N2 | C7 | 9.1° | 0.1° |
| O2 | C14 | N2 | C15 | 177.9° | 179.9° |
| O2 | C14 | N2 | N1 | 171.6° | 179.9° |
| O2 | C14 | C15 | C6 | 177.1° | 179.8° |
| O2 | C14 | C15 | C16 | 65.5° | 61.4° |
| C11 | C10 | C9 | H19 | 120.9° | 120.7° |
| C11 | C10 | C9 | H20 | 120.9° | 120.8° |
| C11 | C10 | C9 | C8 | 85.7° | 94.1° |
| C10 | C11 | C12 | H9 | 170.0° | 162.5° |
| C10 | C11 | C12 | H10 | 71.8° | 79.1° |
| C10 | C11 | H11 | H12 | 117.4° | 118.4° |
| C11 | C10 | H19 | H20 | 117.2° | 118.5° |
| C11 | C10 | C9 | H21 | 153.5° | 146.2° |
| C11 | C10 | C9 | H22 | 35.1° | 25.6° |
| C17 | C15 | C14 | N2 | 123.3° | 118.5° |
| C17 | C15 | C14 | C6 | 118.4° | 118.4° |
| C17 | C15 | C14 | C16 | 124.2° | 122.8° |
| C17 | C15 | C6 | C16 | 126.5° | 122.9° |
| C17 | C15 | C6 | N1 | 115.3° | 118.7° |
| C17 | C15 | C6 | C5 | 62.0° | 61.6° |
| C17 | C15 | C16 | H13 | 180.0° | 61.3° |
| C17 | C15 | C16 | H14 | 60.0° | 58.7° |
| C17 | C15 | C16 | H15 | 60.0° | 178.6° |
| C15 | C17 | H16 | H17 | 120.0° | 120.0° |
| C15 | C17 | H16 | H18 | 120.0° | 120.0° |
| C15 | C17 | H17 | H18 | 120.0° | 120.1° |
| N2 | C7 | C8 | H1 | 117.0° | 118.6° |
| C7 | N2 | C14 | N1 | 179.3° | 180.0° |
| C7 | N2 | C14 | C15 | 168.9° | 180.0° |
| C7 | N2 | N1 | C6 | 167.6° | 179.8° |
| N2 | C7 | C8 | C9 | 164.1° | 177.3° |
| N2 | C7 | C13 | H7 | 60.3° | 81.0° |
| N2 | C7 | C13 | H8 | 57.0° | 39.4° |
| N2 | C7 | C8 | H23 | 74.6° | 56.6° |
| N2 | C7 | C8 | H24 | 42.8° | 61.9° |
| C8 | C7 | N2 | C14 | 108.0° | 120.0° |
| C8 | C7 | N2 | N1 | 71.3° | 60.0° |
| C7 | C8 | C9 | C10 | 71.6° | 80.0° |
| C7 | C8 | C9 | H23 | 121.3° | 120.7° |
| C7 | C8 | C9 | H24 | 121.3° | 120.8° |
| C8 | C7 | C13 | H7 | 177.2° | 39.7° |
| C8 | C7 | C13 | H8 | 65.5° | 160.1° |
| C7 | C8 | C9 | H21 | 167.6° | 160.3° |
| C7 | C8 | C9 | H22 | 49.2° | 39.7° |
| C7 | C8 | H23 | H24 | 115.9° | 118.6° |
| N2 | C14 | C15 | C6 | 4.9° | 0.1° |
| N2 | C14 | C15 | C16 | 112.6° | 118.7° |
| C14 | N2 | N1 | C6 | 11.8° | 0.2° |
| C14 | N2 | C7 | H1 | 8.7° | 1.4° |
| C15 | C14 | N2 | N1 | 10.5° | 0.0° |
| C14 | C15 | C6 | C16 | 116.2° | 118.7° |
| C14 | C15 | C6 | N1 | 1.9° | 0.2° |
| C14 | C15 | C6 | C5 | 179.3° | 179.9° |
| C14 | C15 | C16 | H13 | 55.9° | 61.5° |
| C14 | C15 | C16 | H14 | 64.2° | 178.5° |
| C14 | C15 | C16 | H15 | 175.9° | 58.6° |
| C14 | C15 | C17 | H16 | 180.0° | 58.5° |
| C14 | C15 | C17 | H17 | 60.0° | 178.6° |
| C14 | C15 | C17 | H18 | 60.0° | 61.4° |
| N2 | N1 | C6 | C15 | 8.0° | 0.3° |
| N2 | N1 | C6 | C5 | 174.4° | 180.0° |
| N1 | N2 | C7 | H1 | 172.0° | 178.6° |
| C15 | C6 | N1 | C5 | 177.6° | 179.7° |
| C15 | C6 | C5 | C18 | 159.2° | 179.9° |
| C15 | C6 | C5 | C4 | 21.7° | 0.3° |
| C6 | C15 | C16 | H13 | 52.8° | 175.8° |
| C6 | C15 | C16 | H14 | 172.8° | 64.2° |
| C6 | C15 | C16 | H15 | 67.2° | 55.8° |
| C6 | C15 | C17 | H16 | 70.7° | 55.6° |
| C6 | C15 | C17 | H17 | 169.3° | 64.4° |
| C6 | C15 | C17 | H18 | 49.3° | 175.6° |
| C16 | C15 | C6 | N1 | 118.2° | 118.4° |
| C16 | C15 | C6 | C5 | 64.5° | 61.3° |
| C15 | C16 | H13 | H14 | 120.0° | 120.0° |
| C15 | C16 | H13 | H15 | 120.0° | 120.0° |
| C15 | C16 | H14 | H15 | 120.0° | 120.0° |
| C16 | C15 | C17 | H16 | 56.3° | 178.7° |
| C16 | C15 | C17 | H17 | 63.7° | 58.6° |
| C16 | C15 | C17 | H18 | 176.3° | 61.4° |
| N1 | C6 | C5 | C18 | 18.0° | 0.3° |
| N1 | C6 | C5 | C4 | 161.0° | 180.0° |
| C21 | C22 | C23 | H29 | 119.2° | 118.3° |
| C21 | C22 | C23 | H30 | 119.2° | 118.3° |
| C22 | C21 | C20 | H27 | 119.2° | 118.8° |
| C22 | C21 | C20 | H28 | 119.2° | 118.8° |
| C22 | C21 | C20 | C24 | 26.0° | 23.6° |
| C22 | C21 | C20 | O3 | 143.0° | 142.9° |
| C21 | C22 | C23 | C24 | 34.1° | 37.9° |
| C22 | C21 | C20 | H26 | 93.7° | 95.7° |
| C22 | C21 | H27 | H28 | 122.4° | 122.6° |
| C21 | C22 | H29 | H30 | 122.4° | 123.3° |
| C21 | C22 | C23 | H31 | 85.4° | 80.8° |
| C21 | C22 | C23 | H32 | 153.6° | 156.6° |
| C23 | C22 | C21 | C20 | 37.2° | 37.9° |
| C22 | C23 | C24 | C20 | 17.7° | 23.5° |
| C22 | C23 | C24 | H31 | 119.4° | 118.7° |
| C22 | C23 | C24 | H32 | 119.5° | 118.7° |
| C23 | C22 | C21 | H27 | 156.4° | 80.8° |
| C23 | C22 | C21 | H28 | 82.0° | 156.6° |
| C23 | C22 | H29 | H30 | 122.4° | 123.3° |
| C22 | C23 | H31 | H32 | 121.6° | 122.6° |
| C22 | C23 | C24 | H33 | 101.8° | 95.7° |
| C22 | C23 | C24 | H34 | 137.1° | 142.9° |
| C10 | C9 | C8 | H21 | 120.8° | 119.7° |
| C10 | C9 | C8 | H22 | 120.8° | 119.7° |
| C9 | C10 | C11 | H11 | 148.8° | 162.5° |
| C9 | C10 | C11 | H12 | 92.9° | 79.2° |
| C9 | C10 | H19 | H20 | 117.2° | 118.5° |
| C10 | C9 | H21 | H22 | 117.5° | 120.5° |
| C10 | C9 | C8 | H23 | 167.1° | 159.3° |
| C10 | C9 | C8 | H24 | 49.7° | 40.8° |
| C9 | C8 | C7 | H1 | 78.9° | 58.8° |
| C8 | C9 | C10 | H19 | 35.2° | 26.6° |
| C8 | C9 | C10 | H20 | 153.4° | 145.1° |
| C8 | C9 | H21 | H22 | 117.5° | 120.5° |
| C9 | C8 | H23 | H24 | 115.9° | 118.5° |
| C6 | C5 | C18 | C4 | 179.1° | 179.8° |
| C6 | C5 | C18 | C19 | 179.9° | 179.7° |
| C6 | C5 | C4 | C3 | 179.4° | 180.0° |
| C6 | C5 | C4 | H5 | 0.6° | 0.0° |
| C6 | C5 | C18 | H25 | 0.0° | 0.0° |
| C21 | C20 | C24 | O3 | 117.2° | 119.3° |
| C21 | C20 | C24 | H26 | 119.8° | 119.3° |
| C21 | C20 | O3 | H26 | 122.7° | 121.5° |
| C21 | C20 | C24 | C23 | 5.4° | 0.0° |
| C21 | C20 | O3 | C19 | 151.5° | 87.0° |
| C20 | C21 | H27 | H28 | 122.4° | 122.5° |
| C20 | C21 | C22 | H29 | 156.4° | 156.3° |
| C20 | C21 | C22 | H30 | 82.0° | 80.3° |
| C21 | C20 | C24 | H33 | 124.8° | 119.3° |
| C21 | C20 | C24 | H34 | 114.1° | 119.3° |
| C24 | C20 | O3 | H26 | 122.3° | 121.4° |
| C20 | C24 | C23 | H33 | 119.5° | 119.2° |
| C20 | C24 | C23 | H34 | 119.5° | 119.3° |
| C24 | C20 | O3 | C19 | 93.5° | 155.9° |
| C24 | C20 | C21 | H27 | 145.1° | 95.1° |
| C24 | C20 | C21 | H28 | 93.2° | 142.4° |
| C20 | C24 | C23 | H31 | 101.7° | 95.1° |
| C20 | C24 | C23 | H32 | 137.2° | 142.3° |
| C20 | C24 | H33 | H34 | 121.6° | 121.4° |
| O3 | C20 | C24 | C23 | 122.6° | 119.4° |
| C20 | O3 | C19 | C18 | 27.2° | 5.6° |
| C20 | O3 | C19 | C2 | 152.0° | 175.0° |
| O3 | C20 | C21 | H27 | 97.9° | 24.1° |
| O3 | C20 | C21 | H28 | 23.8° | 98.3° |
| O3 | C20 | C24 | H33 | 117.9° | 121.4° |
| O3 | C20 | C24 | H34 | 3.1° | 0.0° |
| C23 | C24 | C20 | H26 | 114.5° | 119.3° |
| C24 | C23 | C22 | H29 | 153.3° | 156.2° |
| C24 | C23 | C22 | H30 | 85.1° | 80.4° |
| C24 | C23 | H31 | H32 | 121.6° | 122.6° |
| C23 | C24 | H33 | H34 | 121.6° | 121.5° |
| C5 | C18 | C19 | H25 | 180.0° | 179.8° |
| C5 | C18 | C19 | O3 | 178.7° | 180.0° |
| C5 | C18 | C19 | C2 | 0.6° | 0.5° |
| C18 | C5 | C4 | C3 | 0.4° | 0.2° |
| C18 | C5 | C4 | H5 | 179.7° | 179.8° |
| C19 | C18 | C5 | C4 | 0.8° | 0.5° |
| C18 | C19 | O3 | C2 | 179.2° | 179.5° |
| C18 | C19 | C2 | C3 | 0.2° | 0.3° |
| C18 | C19 | C2 | O1 | 179.1° | 179.7° |
| C5 | C4 | C3 | H5 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.4° | 0.1° |
| C5 | C4 | C3 | H6 | 179.6° | 180.0° |
| C4 | C5 | C18 | H25 | 179.1° | 179.7° |
| O3 | C19 | C2 | C3 | 179.4° | 179.7° |
| O3 | C19 | C2 | O1 | 0.1° | 0.2° |
| O3 | C19 | C18 | H25 | 1.4° | 0.2° |
| C19 | O3 | C20 | H26 | 28.8° | 34.5° |
| C19 | C2 | C3 | C4 | 0.6° | 0.0° |
| C19 | C2 | C3 | O1 | 179.2° | 180.0° |
| C19 | C2 | O1 | C1 | 150.9° | 180.0° |
| C19 | C2 | C3 | H6 | 179.3° | 180.0° |
| C2 | C19 | C18 | H25 | 179.4° | 179.7° |
| C4 | C3 | C2 | H6 | 180.0° | 179.9° |
| C4 | C3 | C2 | O1 | 178.6° | 180.0° |
| C3 | C2 | O1 | C1 | 28.3° | 0.0° |
| C2 | C3 | C4 | H5 | 179.6° | 179.9° |
| C2 | O1 | C1 | H2 | 180.0° | 180.0° |
| C2 | O1 | C1 | H3 | 60.0° | 60.0° |
| C2 | O1 | C1 | H4 | 60.0° | 60.0° |
| O1 | C2 | C3 | H6 | 1.5° | 0.1° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H4 | 120.0° | 120.0° |
| O1 | C1 | H3 | H4 | 120.0° | 120.0° |
| H1 | C7 | C13 | H7 | 57.0° | 160.4° |
| H1 | C7 | C13 | H8 | 174.3° | 79.2° |
| H1 | C7 | C8 | H23 | 42.4° | 61.9° |
| H1 | C7 | C8 | H24 | 159.8° | 179.5° |
| H2 | C1 | H3 | H4 | 120.0° | 120.0° |
| H5 | C4 | C3 | H6 | 0.4° | 0.0° |
| H7 | C13 | C12 | H9 | 31.7° | 95.2° |
| H7 | C13 | C12 | H10 | 86.4° | 146.3° |
| H8 | C13 | C12 | H9 | 85.5° | 25.3° |
| H8 | C13 | C12 | H10 | 156.3° | 93.2° |
| H9 | C12 | C11 | H11 | 49.2° | 41.7° |
| H9 | C12 | C11 | H12 | 69.1° | 76.6° |
| H10 | C12 | C11 | H11 | 167.4° | 160.1° |
| H10 | C12 | C11 | H12 | 49.0° | 41.8° |
| H11 | C11 | C10 | H19 | 27.9° | 41.8° |
| H11 | C11 | C10 | H20 | 90.3° | 76.7° |
| H12 | C11 | C10 | H19 | 146.2° | 160.1° |
| H12 | C11 | C10 | H20 | 28.0° | 41.6° |
| H13 | C16 | H14 | H15 | 120.0° | 119.9° |
| H16 | C17 | H17 | H18 | 120.0° | 119.9° |
| H19 | C10 | C9 | H21 | 85.6° | 93.1° |
| H19 | C10 | C9 | H22 | 156.0° | 146.3° |
| H20 | C10 | C9 | H21 | 32.6° | 25.4° |
| H20 | C10 | C9 | H22 | 85.8° | 95.2° |
| H21 | C9 | C8 | H23 | 46.3° | 39.6° |
| H21 | C9 | C8 | H24 | 71.1° | 78.9° |
| H22 | C9 | C8 | H23 | 72.0° | 81.0° |
| H22 | C9 | C8 | H24 | 170.5° | 160.5° |
| H26 | C20 | C21 | H27 | 25.4° | 145.6° |
| H26 | C20 | C21 | H28 | 147.1° | 23.1° |
| H26 | C20 | C24 | H33 | 5.0° | 0.0° |
| H26 | C20 | C24 | H34 | 126.1° | 121.3° |
| H27 | C21 | C22 | H29 | 84.5° | 37.5° |
| H27 | C21 | C22 | H30 | 37.2° | 160.9° |
| H28 | C21 | C22 | H29 | 37.2° | 85.0° |
| H28 | C21 | C22 | H30 | 158.8° | 38.4° |
| H29 | C22 | C23 | H31 | 33.8° | 37.6° |
| H29 | C22 | C23 | H32 | 87.3° | 85.0° |
| H30 | C22 | C23 | H31 | 155.5° | 161.0° |
| H30 | C22 | C23 | H32 | 34.4° | 38.4° |
| H31 | C23 | C24 | H33 | 138.8° | 145.7° |
| H31 | C23 | C24 | H34 | 17.7° | 24.2° |
| H32 | C23 | C24 | H33 | 17.7° | 23.0° |
| H32 | C23 | C24 | H34 | 103.4° | 98.4° |
