I0J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | N7 | sing | 1.46Å | 1.46Å | |
| C5 | C4 | sing | 1.54Å | 1.53Å | |
| C5 | O2 | sing | 1.45Å | 1.44Å | |
| C4 | C3 | sing | 1.55Å | 1.52Å | |
| O9 | C8 | doub | 1.22Å | 1.22Å | |
| N7 | C8 | sing | 1.35Å | 1.40Å | |
| N7 | C10 | sing | 1.36Å | 1.40Å | |
| N11 | C10 | sing | 1.37Å | 1.34Å | |
| C8 | C15 | sing | 1.47Å | 1.47Å | |
| C10 | N12 | doub | 1.31Å | 1.33Å | |
| O2 | C1 | sing | 1.44Å | 1.43Å | |
| C3 | C1 | sing | 1.54Å | 1.50Å | |
| N12 | C13 | sing | 1.35Å | 1.39Å | |
| C15 | C13 | doub | 1.41Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C16 | C17 | doub | 1.37Å | 1.38Å | Aromatic |
| C14 | C18 | doub | 1.37Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C24 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H31 | sing | 1.09Å | 1.10Å | |
| C1 | H30 | sing | 1.09Å | 1.10Å | |
| C14 | H41 | sing | 1.08Å | 1.08Å | |
| C16 | H42 | sing | 1.08Å | 1.08Å | |
| C17 | H43 | sing | 1.08Å | 1.08Å | |
| C19 | H45 | sing | 1.09Å | 1.10Å | |
| C19 | H44 | sing | 1.09Å | 1.10Å | |
| C20 | H47 | sing | 1.09Å | 1.10Å | |
| C20 | H46 | sing | 1.09Å | 1.10Å | |
| C21 | H49 | sing | 1.09Å | 1.10Å | |
| C21 | H48 | sing | 1.09Å | 1.10Å | |
| C22 | H50 | sing | 1.09Å | 1.10Å | |
| C22 | H51 | sing | 1.09Å | 1.10Å | |
| C23 | H52 | sing | 1.09Å | 1.10Å | |
| C23 | H53 | sing | 1.09Å | 1.10Å | |
| C25 | H54 | sing | 1.08Å | 1.08Å | |
| C26 | H55 | sing | 1.08Å | 1.08Å | |
| C27 | H56 | sing | 1.08Å | 1.08Å | |
| C28 | H57 | sing | 1.08Å | 1.08Å | |
| C29 | H58 | sing | 1.08Å | 1.08Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C4 | H35 | sing | 1.09Å | 1.10Å | |
| C4 | H34 | sing | 1.09Å | 1.10Å | |
| C5 | H36 | sing | 1.09Å | 1.10Å | |
| C6 | H38 | sing | 1.09Å | 1.10Å | |
| C6 | H37 | sing | 1.09Å | 1.10Å | |
| N11 | H40 | sing | 0.97Å | 1.00Å | |
| N11 | H39 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | N7 | 113.0° | 109.5° |
| C6 | C5 | C4 | 112.4° | 110.3° |
| C6 | C5 | O2 | 110.4° | 110.4° |
| C6 | C5 | H36 | 109.3° | 110.4° |
| C5 | C6 | H38 | 108.6° | 109.5° |
| C5 | C6 | H37 | 108.6° | 109.5° |
| C6 | N7 | C8 | 116.9° | 119.8° |
| C6 | N7 | C10 | 122.0° | 119.7° |
| N7 | C6 | H38 | 108.6° | 109.5° |
| N7 | C6 | H37 | 108.6° | 109.5° |
| C4 | C5 | O2 | 104.9° | 104.8° |
| C5 | C4 | C3 | 105.5° | 104.0° |
| C5 | C4 | H35 | 110.5° | 110.6° |
| C5 | C4 | H34 | 110.4° | 110.6° |
| C4 | C5 | H36 | 109.2° | 110.4° |
| C5 | O2 | C1 | 106.9° | 105.2° |
| O2 | C5 | H36 | 110.5° | 110.4° |
| C4 | C3 | C1 | 104.0° | 104.1° |
| C4 | C3 | H32 | 110.9° | 110.5° |
| C4 | C3 | H33 | 110.8° | 110.6° |
| C3 | C4 | H35 | 110.5° | 110.5° |
| C3 | C4 | H34 | 110.5° | 110.5° |
| O9 | C8 | N7 | 120.5° | 121.2° |
| O9 | C8 | C15 | 123.9° | 121.3° |
| C8 | N7 | C10 | 121.1° | 120.5° |
| N7 | C8 | C15 | 115.6° | 117.5° |
| N7 | C10 | N11 | 117.7° | 118.4° |
| N7 | C10 | N12 | 123.8° | 123.1° |
| N11 | C10 | N12 | 118.5° | 118.5° |
| C10 | N11 | H40 | 120.0° | 120.0° |
| C10 | N11 | H39 | 120.0° | 120.0° |
| C8 | C15 | C13 | 119.5° | 118.2° |
| C8 | C15 | C16 | 120.6° | 121.9° |
| C10 | N12 | C13 | 117.9° | 121.6° |
| O2 | C1 | C3 | 105.9° | 104.9° |
| O2 | C1 | H31 | 110.4° | 110.4° |
| O2 | C1 | H30 | 110.4° | 110.4° |
| C3 | C1 | H31 | 110.4° | 110.4° |
| C3 | C1 | H30 | 110.4° | 110.4° |
| C1 | C3 | H32 | 110.8° | 110.5° |
| C1 | C3 | H33 | 110.8° | 110.5° |
| N12 | C13 | C15 | 122.1° | 119.1° |
| N12 | C13 | C14 | 118.3° | 121.7° |
| C13 | C15 | C16 | 119.9° | 120.0° |
| C15 | C13 | C14 | 119.6° | 119.2° |
| C15 | C16 | C17 | 119.8° | 119.5° |
| C15 | C16 | H42 | 120.1° | 120.2° |
| C13 | C14 | C18 | 120.6° | 119.7° |
| C13 | C14 | H41 | 119.7° | 120.1° |
| C16 | C17 | C18 | 121.3° | 120.7° |
| C17 | C16 | H42 | 120.1° | 120.3° |
| C16 | C17 | H43 | 119.4° | 119.6° |
| C14 | C18 | C17 | 118.9° | 121.0° |
| C14 | C18 | C19 | 120.4° | 119.5° |
| C18 | C14 | H41 | 119.7° | 120.2° |
| C17 | C18 | C19 | 120.7° | 119.5° |
| C18 | C17 | H43 | 119.3° | 119.7° |
| C18 | C19 | C20 | 115.5° | 109.5° |
| C18 | C19 | H45 | 108.0° | 109.5° |
| C18 | C19 | H44 | 108.0° | 109.4° |
| C19 | C20 | C21 | 113.3° | 109.5° |
| C20 | C19 | H45 | 107.9° | 109.5° |
| C20 | C19 | H44 | 107.9° | 109.5° |
| C19 | C20 | H47 | 108.5° | 109.5° |
| C19 | C20 | H46 | 108.5° | 109.5° |
| C20 | C21 | C22 | 113.2° | 109.5° |
| C21 | C20 | H47 | 108.5° | 109.4° |
| C21 | C20 | H46 | 108.5° | 109.5° |
| C20 | C21 | H49 | 108.6° | 109.5° |
| C20 | C21 | H48 | 108.6° | 109.4° |
| C24 | C23 | C22 | 116.4° | 109.5° |
| C23 | C24 | C29 | 120.6° | 120.0° |
| C23 | C24 | C25 | 121.0° | 120.0° |
| C24 | C23 | H52 | 107.7° | 109.5° |
| C24 | C23 | H53 | 107.7° | 109.4° |
| C23 | C22 | C21 | 112.8° | 109.5° |
| C23 | C22 | H50 | 108.6° | 109.5° |
| C23 | C22 | H51 | 108.6° | 109.4° |
| C22 | C23 | H52 | 107.7° | 109.6° |
| C22 | C23 | H53 | 107.7° | 109.5° |
| C22 | C21 | H49 | 108.5° | 109.5° |
| C22 | C21 | H48 | 108.5° | 109.5° |
| C21 | C22 | H50 | 108.6° | 109.5° |
| C21 | C22 | H51 | 108.7° | 109.5° |
| C29 | C24 | C25 | 118.4° | 120.0° |
| C24 | C29 | C28 | 120.7° | 120.0° |
| C24 | C29 | H58 | 119.6° | 120.0° |
| C24 | C25 | C26 | 120.7° | 120.0° |
| C24 | C25 | H54 | 119.6° | 120.0° |
| C29 | C28 | C27 | 120.3° | 120.0° |
| C29 | C28 | H57 | 119.8° | 120.0° |
| C28 | C29 | H58 | 119.6° | 120.0° |
| C25 | C26 | C27 | 120.3° | 120.0° |
| C26 | C25 | H54 | 119.7° | 120.0° |
| C25 | C26 | H55 | 119.9° | 119.9° |
| C28 | C27 | C26 | 119.6° | 120.0° |
| C28 | C27 | H56 | 120.2° | 120.0° |
| C27 | C28 | H57 | 119.9° | 120.0° |
| C27 | C26 | H55 | 119.8° | 120.1° |
| C26 | C27 | H56 | 120.2° | 119.9° |
| H31 | C1 | H30 | 109.4° | 110.4° |
| H45 | C19 | H44 | 109.5° | 109.4° |
| H47 | C20 | H46 | 109.4° | 109.4° |
| H49 | C21 | H48 | 109.5° | 109.4° |
| H50 | C22 | H51 | 109.5° | 109.4° |
| H52 | C23 | H53 | 109.5° | 109.5° |
| H32 | C3 | H33 | 109.5° | 110.5° |
| H35 | C4 | H34 | 109.5° | 110.5° |
| H38 | C6 | H37 | 109.5° | 109.5° |
| H40 | N11 | H39 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | N7 | H38 | 120.5° | 120.0° |
| C5 | C6 | N7 | H37 | 120.5° | 120.0° |
| C6 | C5 | C4 | O2 | 120.0° | 118.8° |
| C6 | C5 | C4 | H36 | 121.5° | 122.3° |
| C6 | C5 | O2 | H36 | 121.0° | 122.3° |
| C6 | C5 | C4 | C3 | 105.8° | 142.8° |
| C5 | C6 | N7 | C8 | 107.7° | 89.9° |
| C5 | C6 | N7 | C10 | 69.8° | 90.0° |
| C6 | C5 | O2 | C1 | 89.5° | 159.3° |
| C6 | C5 | C4 | H35 | 134.8° | 24.2° |
| C6 | C5 | C4 | H34 | 13.6° | 98.5° |
| C5 | C6 | H38 | H37 | 118.4° | 120.0° |
| N7 | C6 | C5 | C4 | 108.6° | 180.0° |
| N7 | C6 | C5 | O2 | 8.2° | 64.6° |
| C6 | N7 | C8 | O9 | 3.2° | 0.3° |
| C6 | N7 | C8 | C10 | 177.6° | 179.9° |
| C6 | N7 | C10 | N11 | 4.2° | 0.2° |
| C6 | N7 | C8 | C15 | 176.2° | 179.5° |
| C6 | N7 | C10 | N12 | 176.2° | 179.9° |
| N7 | C6 | C5 | H36 | 129.9° | 57.7° |
| N7 | C6 | H38 | H37 | 118.4° | 120.0° |
| C4 | C5 | O2 | H36 | 117.6° | 118.9° |
| C5 | C4 | C3 | H35 | 119.4° | 118.7° |
| C5 | C4 | C3 | H34 | 119.3° | 118.8° |
| C4 | C5 | O2 | C1 | 31.9° | 40.5° |
| C5 | C4 | C3 | C1 | 7.3° | 0.0° |
| C5 | C4 | C3 | H32 | 111.8° | 118.7° |
| C5 | C4 | C3 | H33 | 126.4° | 118.7° |
| C5 | C4 | H35 | H34 | 121.8° | 122.8° |
| C4 | C5 | C6 | H38 | 11.9° | 60.0° |
| C4 | C5 | C6 | H37 | 130.9° | 60.0° |
| O2 | C5 | C4 | C3 | 14.2° | 24.0° |
| C5 | O2 | C1 | C3 | 37.4° | 40.5° |
| C5 | O2 | C1 | H31 | 82.0° | 78.3° |
| C5 | O2 | C1 | H30 | 156.9° | 159.4° |
| O2 | C5 | C4 | H35 | 105.2° | 94.6° |
| O2 | C5 | C4 | H34 | 133.6° | 142.7° |
| O2 | C5 | C6 | H38 | 128.7° | 55.4° |
| O2 | C5 | C6 | H37 | 112.4° | 175.4° |
| C4 | C3 | C1 | O2 | 26.8° | 24.0° |
| C4 | C3 | C1 | H32 | 119.2° | 118.6° |
| C4 | C3 | C1 | H33 | 119.1° | 118.8° |
| C4 | C3 | C1 | H31 | 92.7° | 94.8° |
| C4 | C3 | C1 | H30 | 146.2° | 142.9° |
| C4 | C3 | H32 | H33 | 122.5° | 122.7° |
| C3 | C4 | H35 | H34 | 121.9° | 122.5° |
| C3 | C4 | C5 | H36 | 132.7° | 94.8° |
| O9 | C8 | N7 | C15 | 179.5° | 179.2° |
| O9 | C8 | N7 | C10 | 179.2° | 179.7° |
| O9 | C8 | C15 | C13 | 179.9° | 179.9° |
| O9 | C8 | C15 | C16 | 1.2° | 0.6° |
| C8 | N7 | C10 | N11 | 178.4° | 179.7° |
| C8 | N7 | C10 | N12 | 1.3° | 0.1° |
| N7 | C8 | C15 | C13 | 0.5° | 0.7° |
| N7 | C8 | C15 | C16 | 178.3° | 179.8° |
| C8 | N7 | C6 | H38 | 12.8° | 30.1° |
| C8 | N7 | C6 | H37 | 131.8° | 150.0° |
| N7 | C10 | N11 | N12 | 179.7° | 179.8° |
| C10 | N7 | C8 | C15 | 1.3° | 0.5° |
| N7 | C10 | N12 | C13 | 0.2° | 0.1° |
| C10 | N7 | C6 | H38 | 169.6° | 150.0° |
| C10 | N7 | C6 | H37 | 50.7° | 30.0° |
| N7 | C10 | N11 | H40 | 179.7° | 179.7° |
| N7 | C10 | N11 | H39 | 0.3° | 0.2° |
| N11 | C10 | N12 | C13 | 179.5° | 180.0° |
| C10 | N11 | H40 | H39 | 180.0° | 179.9° |
| C8 | C15 | C13 | N12 | 0.6° | 0.5° |
| C8 | C15 | C13 | C16 | 178.7° | 179.5° |
| C8 | C15 | C13 | C14 | 178.6° | 179.5° |
| C8 | C15 | C16 | C17 | 178.1° | 179.5° |
| C8 | C15 | C16 | H42 | 1.9° | 0.5° |
| C10 | N12 | C13 | C15 | 0.7° | 0.1° |
| C10 | N12 | C13 | C14 | 178.4° | 179.9° |
| N12 | C10 | N11 | H40 | 0.0° | 0.1° |
| N12 | C10 | N11 | H39 | 180.0° | 180.0° |
| O2 | C1 | C3 | H31 | 119.4° | 118.9° |
| O2 | C1 | C3 | H30 | 119.5° | 118.9° |
| O2 | C1 | H31 | H30 | 121.7° | 122.3° |
| O2 | C1 | C3 | H32 | 92.4° | 94.6° |
| O2 | C1 | C3 | H33 | 145.9° | 142.8° |
| C1 | O2 | C5 | H36 | 149.5° | 78.3° |
| C3 | C1 | H31 | H30 | 121.6° | 122.3° |
| C1 | C3 | H32 | H33 | 122.5° | 122.6° |
| C1 | C3 | C4 | H35 | 126.7° | 118.7° |
| C1 | C3 | C4 | H34 | 112.0° | 118.8° |
| N12 | C13 | C15 | C14 | 179.1° | 180.0° |
| N12 | C13 | C15 | C16 | 179.3° | 180.0° |
| N12 | C13 | C14 | C18 | 178.8° | 180.0° |
| N12 | C13 | C14 | H41 | 1.2° | 0.0° |
| C13 | C15 | C16 | C17 | 0.7° | 0.0° |
| C15 | C13 | C14 | C18 | 0.4° | 0.0° |
| C15 | C13 | C14 | H41 | 179.6° | 180.0° |
| C13 | C15 | C16 | H42 | 179.3° | 180.0° |
| C16 | C15 | C13 | C14 | 0.2° | 0.0° |
| C15 | C16 | C17 | H42 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.6° | 0.1° |
| C15 | C16 | C17 | H43 | 179.4° | 180.0° |
| C13 | C14 | C18 | H41 | 180.0° | 180.0° |
| C13 | C14 | C18 | C17 | 0.5° | 0.0° |
| C13 | C14 | C18 | C19 | 179.4° | 180.0° |
| C16 | C17 | C18 | C14 | 0.0° | 0.1° |
| C16 | C17 | C18 | H43 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 179.0° | 180.0° |
| C14 | C18 | C17 | C19 | 179.0° | 180.0° |
| C14 | C18 | C19 | C20 | 33.3° | 90.0° |
| C14 | C18 | C17 | H43 | 180.0° | 180.0° |
| C14 | C18 | C19 | H45 | 154.1° | 150.0° |
| C14 | C18 | C19 | H44 | 87.6° | 30.0° |
| C17 | C18 | C19 | C20 | 147.8° | 90.1° |
| C17 | C18 | C14 | H41 | 179.5° | 179.9° |
| C18 | C17 | C16 | H42 | 179.4° | 179.9° |
| C17 | C18 | C19 | H45 | 26.9° | 30.0° |
| C17 | C18 | C19 | H44 | 91.4° | 149.9° |
| C18 | C19 | C20 | H45 | 120.9° | 120.0° |
| C18 | C19 | C20 | H44 | 120.9° | 120.0° |
| C18 | C19 | C20 | C21 | 164.8° | 180.0° |
| C19 | C18 | C14 | H41 | 0.5° | 0.0° |
| C19 | C18 | C17 | H43 | 1.0° | 0.1° |
| C18 | C19 | H45 | H44 | 117.3° | 119.9° |
| C18 | C19 | C20 | H47 | 74.6° | 60.0° |
| C18 | C19 | C20 | H46 | 44.2° | 60.0° |
| C19 | C20 | C21 | H47 | 120.6° | 120.0° |
| C19 | C20 | C21 | H46 | 120.6° | 120.1° |
| C19 | C20 | C21 | C22 | 152.7° | 180.0° |
| C20 | C19 | H45 | H44 | 117.2° | 120.0° |
| C19 | C20 | H47 | H46 | 118.2° | 120.0° |
| C19 | C20 | C21 | H49 | 86.7° | 60.0° |
| C19 | C20 | C21 | H48 | 32.2° | 60.0° |
| C20 | C21 | C22 | C23 | 75.1° | 180.0° |
| C20 | C21 | C22 | H49 | 120.6° | 120.0° |
| C20 | C21 | C22 | H48 | 120.6° | 120.0° |
| C21 | C20 | C19 | H45 | 44.0° | 60.0° |
| C21 | C20 | C19 | H44 | 74.3° | 60.0° |
| C21 | C20 | H47 | H46 | 118.3° | 119.9° |
| C20 | C21 | H49 | H48 | 118.3° | 119.9° |
| C20 | C21 | C22 | H50 | 164.4° | 60.0° |
| C20 | C21 | C22 | H51 | 45.3° | 60.0° |
| C24 | C23 | C22 | H52 | 121.0° | 120.0° |
| C24 | C23 | C22 | H53 | 121.0° | 119.9° |
| C24 | C23 | C22 | C21 | 176.6° | 180.0° |
| C23 | C24 | C29 | C25 | 179.7° | 179.7° |
| C23 | C24 | C29 | C28 | 179.6° | 179.8° |
| C23 | C24 | C25 | C26 | 179.4° | 180.0° |
| C24 | C23 | C22 | H50 | 56.1° | 60.0° |
| C24 | C23 | C22 | H51 | 62.9° | 60.0° |
| C24 | C23 | H52 | H53 | 116.8° | 119.9° |
| C23 | C24 | C25 | H54 | 0.6° | 0.0° |
| C23 | C24 | C29 | H58 | 0.4° | 0.0° |
| C23 | C22 | C21 | H50 | 120.5° | 120.1° |
| C23 | C22 | C21 | H51 | 120.5° | 119.9° |
| C22 | C23 | C24 | C29 | 141.9° | 90.0° |
| C22 | C23 | C24 | C25 | 37.8° | 89.7° |
| C23 | C22 | C21 | H49 | 164.3° | 59.9° |
| C23 | C22 | C21 | H48 | 45.4° | 60.1° |
| C23 | C22 | H50 | H51 | 118.4° | 120.0° |
| C22 | C23 | H52 | H53 | 116.9° | 120.1° |
| C22 | C21 | C20 | H47 | 32.2° | 60.0° |
| C22 | C21 | C20 | H46 | 86.7° | 60.0° |
| C22 | C21 | H49 | H48 | 118.3° | 120.0° |
| C21 | C22 | H50 | H51 | 118.5° | 120.0° |
| C21 | C22 | C23 | H52 | 62.5° | 59.9° |
| C21 | C22 | C23 | H53 | 55.6° | 60.1° |
| C24 | C29 | C28 | H58 | 180.0° | 179.8° |
| C29 | C24 | C25 | C26 | 0.3° | 0.3° |
| C24 | C29 | C28 | C27 | 0.1° | 0.4° |
| C29 | C24 | C23 | H52 | 97.1° | 30.0° |
| C29 | C24 | C23 | H53 | 20.9° | 150.0° |
| C29 | C24 | C25 | H54 | 179.7° | 179.7° |
| C24 | C29 | C28 | H57 | 179.9° | 179.7° |
| C25 | C24 | C29 | C28 | 0.1° | 0.5° |
| C24 | C25 | C26 | H54 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.3° | 0.0° |
| C25 | C24 | C23 | H52 | 83.2° | 150.2° |
| C25 | C24 | C23 | H53 | 158.8° | 30.3° |
| C24 | C25 | C26 | H55 | 179.7° | 180.0° |
| C25 | C24 | C29 | H58 | 179.9° | 179.7° |
| C29 | C28 | C27 | H57 | 180.0° | 179.9° |
| C29 | C28 | C27 | C26 | 0.1° | 0.1° |
| C29 | C28 | C27 | H56 | 179.9° | 179.8° |
| C25 | C26 | C27 | C28 | 0.1° | 0.1° |
| C25 | C26 | C27 | H55 | 180.0° | 180.0° |
| C25 | C26 | C27 | H56 | 179.9° | 180.0° |
| C28 | C27 | C26 | H56 | 180.0° | 179.9° |
| C28 | C27 | C26 | H55 | 179.9° | 180.0° |
| C27 | C28 | C29 | H58 | 179.9° | 179.8° |
| C27 | C26 | C25 | H54 | 179.7° | 180.0° |
| C26 | C27 | C28 | H57 | 179.9° | 180.0° |
| H31 | C1 | C3 | H32 | 148.2° | 146.5° |
| H31 | C1 | C3 | H33 | 26.4° | 24.0° |
| H30 | C1 | C3 | H32 | 27.1° | 24.3° |
| H30 | C1 | C3 | H33 | 94.6° | 98.3° |
| H42 | C16 | C17 | H43 | 0.6° | 0.1° |
| H45 | C19 | C20 | H47 | 164.5° | 180.0° |
| H45 | C19 | C20 | H46 | 76.6° | 60.0° |
| H44 | C19 | C20 | H47 | 46.3° | 60.0° |
| H44 | C19 | C20 | H46 | 165.1° | 180.0° |
| H47 | C20 | C21 | H49 | 152.7° | 180.0° |
| H47 | C20 | C21 | H48 | 88.4° | 60.0° |
| H46 | C20 | C21 | H49 | 33.9° | 60.1° |
| H46 | C20 | C21 | H48 | 152.8° | 180.0° |
| H49 | C21 | C22 | H50 | 43.8° | 180.0° |
| H49 | C21 | C22 | H51 | 75.2° | 60.0° |
| H48 | C21 | C22 | H50 | 75.1° | 60.0° |
| H48 | C21 | C22 | H51 | 165.9° | NaN° |
| H50 | C22 | C23 | H52 | 177.0° | 180.0° |
| H50 | C22 | C23 | H53 | 64.9° | 60.0° |
| H51 | C22 | C23 | H52 | 58.1° | 60.0° |
| H51 | C22 | C23 | H53 | 176.1° | 179.9° |
| H54 | C25 | C26 | H55 | 0.2° | 0.0° |
| H55 | C26 | C27 | H56 | 0.1° | 0.1° |
| H56 | C27 | C28 | H57 | 0.1° | 0.1° |
| H57 | C28 | C29 | H58 | 0.1° | 0.1° |
| H32 | C3 | C4 | H35 | 7.6° | 0.0° |
| H32 | C3 | C4 | H34 | 128.8° | 122.6° |
| H33 | C3 | C4 | H35 | 114.2° | 122.6° |
| H33 | C3 | C4 | H34 | 7.1° | 0.1° |
| H35 | C4 | C5 | H36 | 13.3° | 146.5° |
| H34 | C4 | C5 | H36 | 107.9° | 23.8° |
| H36 | C5 | C6 | H38 | 109.5° | 177.7° |
| H36 | C5 | C6 | H37 | 9.4° | 62.3° |
