IJW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.42Å | Aromatic |
| C3 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| N4 | C5 | sing | 1.33Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.43Å | Aromatic |
| C6 | O7 | sing | 1.35Å | 1.35Å | |
| O7 | C8 | sing | 1.43Å | 1.42Å | |
| C8 | C9 | sing | 1.51Å | 1.47Å | |
| C9 | N10 | sing | 1.36Å | 1.43Å | |
| N10 | C11 | sing | 1.47Å | 1.39Å | |
| C11 | C12 | sing | 1.54Å | 1.43Å | |
| C9 | N13 | doub | 1.28Å | 1.35Å | |
| C12 | N13 | sing | 1.47Å | 1.38Å | |
| N10 | C14 | sing | 1.46Å | 1.43Å | |
| C12 | C15 | sing | 1.51Å | 1.43Å | |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C21 | sing | 1.48Å | 1.50Å | |
| C21 | O22 | doub | 1.22Å | 1.26Å | |
| C3 | C23 | sing | 1.51Å | 1.45Å | |
| C23 | C24 | sing | 1.53Å | 1.49Å | |
| C23 | C25 | sing | 1.53Å | 1.48Å | |
| C24 | C25 | sing | 1.53Å | 1.48Å | |
| C26 | C27 | sing | 1.55Å | 1.55Å | |
| C27 | C28 | sing | 1.54Å | 1.51Å | |
| C28 | O29 | sing | 1.44Å | 1.42Å | |
| C26 | C30 | sing | 1.55Å | 1.52Å | |
| O29 | C30 | sing | 1.44Å | 1.41Å | |
| C21 | N31 | sing | 1.35Å | 1.37Å | |
| C26 | N31 | sing | 1.46Å | 1.44Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H35 | sing | 1.09Å | 1.10Å | |
| C16 | H39 | sing | 1.08Å | 1.08Å | |
| C17 | H40 | sing | 1.08Å | 1.08Å | |
| C18 | H41 | sing | 1.08Å | 1.08Å | |
| C19 | H42 | sing | 1.08Å | 1.08Å | |
| C20 | H43 | sing | 1.08Å | 1.08Å | |
| C23 | H44 | sing | 1.09Å | 1.10Å | |
| C24 | H45 | sing | 1.09Å | 1.10Å | |
| C24 | H46 | sing | 1.09Å | 1.10Å | |
| C25 | H48 | sing | 1.09Å | 1.10Å | |
| C25 | H47 | sing | 1.09Å | 1.10Å | |
| C26 | H49 | sing | 1.09Å | 1.10Å | |
| C27 | H51 | sing | 1.09Å | 1.10Å | |
| C27 | H50 | sing | 1.09Å | 1.10Å | |
| C28 | H53 | sing | 1.09Å | 1.10Å | |
| C28 | H52 | sing | 1.09Å | 1.10Å | |
| C2 | H32 | sing | 1.08Å | 1.08Å | |
| C8 | H33 | sing | 1.09Å | 1.10Å | |
| C8 | H34 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H37 | sing | 1.09Å | 1.10Å | |
| C14 | H36 | sing | 1.09Å | 1.10Å | |
| C14 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | H55 | sing | 1.09Å | 1.10Å | |
| C30 | H54 | sing | 1.09Å | 1.10Å | |
| N31 | H56 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C2 | C3 | 122.9° | 120.3° |
| C2 | N1 | C6 | 114.3° | 120.0° |
| N1 | C2 | H32 | 118.5° | 119.9° |
| C2 | C3 | N4 | 122.0° | 120.3° |
| C2 | C3 | C23 | 122.3° | 119.9° |
| C3 | C2 | H32 | 118.6° | 119.8° |
| C3 | N4 | C5 | 116.4° | 120.0° |
| N4 | C3 | C23 | 115.7° | 119.9° |
| N4 | C5 | C6 | 120.9° | 119.7° |
| N4 | C5 | C21 | 115.4° | 120.2° |
| N1 | C6 | C5 | 123.6° | 119.7° |
| N1 | C6 | O7 | 119.6° | 120.1° |
| C5 | C6 | O7 | 116.8° | 120.2° |
| C6 | C5 | C21 | 123.7° | 120.1° |
| C6 | O7 | C8 | 112.9° | 117.0° |
| O7 | C8 | C9 | 116.2° | 109.4° |
| O7 | C8 | H33 | 107.8° | 109.5° |
| O7 | C8 | H34 | 107.8° | 109.5° |
| C8 | C9 | N10 | 125.7° | 122.7° |
| C8 | C9 | N13 | 121.1° | 122.7° |
| C9 | C8 | H33 | 107.8° | 109.5° |
| C9 | C8 | H34 | 107.8° | 109.5° |
| C9 | N10 | C11 | 105.4° | 108.3° |
| N10 | C9 | N13 | 113.2° | 114.6° |
| C9 | N10 | C14 | 125.1° | 125.9° |
| N10 | C11 | C12 | 105.6° | 103.1° |
| C11 | N10 | C14 | 129.5° | 125.8° |
| N10 | C11 | H1 | 110.4° | 110.7° |
| N10 | C11 | H35 | 110.4° | 110.9° |
| C11 | C12 | N13 | 112.0° | 103.8° |
| C11 | C12 | C15 | 128.0° | 110.6° |
| C12 | C11 | H1 | 110.4° | 110.7° |
| C12 | C11 | H35 | 110.5° | 110.7° |
| C11 | C12 | H2 | 90.6° | 110.6° |
| C9 | N13 | C12 | 103.9° | 110.2° |
| N13 | C12 | C15 | 119.9° | 110.6° |
| N13 | C12 | H2 | 90.6° | 110.5° |
| N10 | C14 | H37 | 109.5° | 109.4° |
| N10 | C14 | H36 | 109.5° | 109.5° |
| N10 | C14 | H38 | 109.5° | 109.5° |
| C12 | C15 | C16 | 120.6° | 120.0° |
| C12 | C15 | C20 | 119.0° | 120.0° |
| C15 | C12 | H2 | 90.6° | 110.6° |
| C15 | C16 | C17 | 120.5° | 120.0° |
| C16 | C15 | C20 | 120.4° | 120.0° |
| C15 | C16 | H39 | 119.7° | 120.0° |
| C16 | C17 | C18 | 119.4° | 120.0° |
| C17 | C16 | H39 | 119.7° | 120.0° |
| C16 | C17 | H40 | 120.3° | 119.9° |
| C17 | C18 | C19 | 119.6° | 120.0° |
| C18 | C17 | H40 | 120.3° | 120.0° |
| C17 | C18 | H41 | 120.2° | 120.0° |
| C18 | C19 | C20 | 122.3° | 120.0° |
| C19 | C18 | H41 | 120.3° | 120.0° |
| C18 | C19 | H42 | 118.9° | 120.0° |
| C15 | C20 | C19 | 117.9° | 120.0° |
| C15 | C20 | H43 | 121.1° | 120.0° |
| C20 | C19 | H42 | 118.9° | 119.9° |
| C19 | C20 | H43 | 121.1° | 120.1° |
| C5 | C21 | O22 | 124.3° | 120.0° |
| C5 | C21 | N31 | 113.0° | 120.0° |
| O22 | C21 | N31 | 122.4° | 120.0° |
| C3 | C23 | C24 | 116.1° | 117.5° |
| C3 | C23 | C25 | 119.4° | 117.5° |
| C3 | C23 | H44 | 116.9° | 115.6° |
| C24 | C23 | C25 | 59.6° | 60.0° |
| C23 | C24 | C25 | 60.1° | 60.0° |
| C24 | C23 | H44 | 116.2° | 117.5° |
| C23 | C24 | H45 | 120.0° | 117.5° |
| C23 | C24 | H46 | 120.0° | 117.5° |
| C23 | C25 | C24 | 60.4° | 60.0° |
| C25 | C23 | H44 | 116.3° | 117.5° |
| C23 | C25 | H48 | 120.0° | 117.5° |
| C23 | C25 | H47 | 119.9° | 117.4° |
| C25 | C24 | H45 | 120.0° | 117.5° |
| C25 | C24 | H46 | 120.0° | 117.5° |
| C24 | C25 | H48 | 119.9° | 117.5° |
| C24 | C25 | H47 | 119.9° | 117.5° |
| C26 | C27 | C28 | 98.7° | 104.0° |
| C27 | C26 | C30 | 100.1° | 104.1° |
| C27 | C26 | N31 | 112.3° | 110.5° |
| C27 | C26 | H49 | 108.8° | 110.5° |
| C26 | C27 | H51 | 112.1° | 110.5° |
| C26 | C27 | H50 | 112.1° | 110.5° |
| C27 | C28 | O29 | 114.5° | 104.8° |
| C28 | C27 | H51 | 112.1° | 110.5° |
| C28 | C27 | H50 | 112.1° | 110.6° |
| C27 | C28 | H53 | 108.2° | 110.4° |
| C27 | C28 | H52 | 108.2° | 110.4° |
| C28 | O29 | C30 | 102.6° | 105.3° |
| O29 | C28 | H53 | 108.2° | 110.4° |
| O29 | C28 | H52 | 108.2° | 110.3° |
| C26 | C30 | O29 | 109.3° | 104.8° |
| C30 | C26 | N31 | 115.6° | 110.5° |
| C30 | C26 | H49 | 109.1° | 110.5° |
| C26 | C30 | H55 | 109.5° | 110.3° |
| C26 | C30 | H54 | 109.5° | 110.3° |
| O29 | C30 | H55 | 109.5° | 110.4° |
| O29 | C30 | H54 | 109.5° | 110.4° |
| C21 | N31 | C26 | 116.9° | 120.0° |
| C21 | N31 | H56 | 121.5° | 120.0° |
| N31 | C26 | H49 | 110.4° | 110.6° |
| C26 | N31 | H56 | 121.6° | 120.0° |
| H1 | C11 | H35 | 109.5° | 110.6° |
| H45 | C24 | H46 | 109.5° | 115.6° |
| H48 | C25 | H47 | 109.5° | 115.6° |
| H51 | C27 | H50 | 109.5° | 110.6° |
| H53 | C28 | H52 | 109.5° | 110.4° |
| H33 | C8 | H34 | 109.5° | 109.5° |
| H37 | C14 | H36 | 109.5° | 109.5° |
| H37 | C14 | H38 | 109.4° | 109.4° |
| H36 | C14 | H38 | 109.5° | 109.5° |
| H55 | C30 | H54 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C3 | H32 | 180.0° | 180.0° |
| N1 | C2 | C3 | N4 | 0.4° | 0.0° |
| C2 | N1 | C6 | C5 | 0.1° | 0.0° |
| C2 | N1 | C6 | O7 | 179.6° | 180.0° |
| N1 | C2 | C3 | C23 | 179.6° | 180.0° |
| C2 | C3 | N4 | C23 | 179.2° | 180.0° |
| C2 | C3 | N4 | C5 | 1.0° | 0.1° |
| C3 | C2 | N1 | C6 | 0.2° | 0.0° |
| C2 | C3 | C23 | C24 | 135.8° | 35.0° |
| C2 | C3 | C23 | C25 | 156.0° | 33.5° |
| C2 | C3 | C23 | H44 | 7.2° | 179.3° |
| C3 | N4 | C5 | C6 | 1.0° | 0.0° |
| C3 | N4 | C5 | C21 | 177.7° | 180.0° |
| N4 | C3 | C23 | C24 | 43.4° | 145.0° |
| N4 | C3 | C23 | C25 | 24.8° | 146.4° |
| N4 | C3 | C23 | H44 | 173.5° | 0.6° |
| N4 | C3 | C2 | H32 | 179.6° | 180.0° |
| N4 | C5 | C6 | N1 | 0.5° | 0.0° |
| N4 | C5 | C6 | C21 | 176.4° | 180.0° |
| N4 | C5 | C6 | O7 | 179.0° | 180.0° |
| N4 | C5 | C21 | O22 | 166.7° | 180.0° |
| C5 | N4 | C3 | C23 | 179.8° | 180.0° |
| N4 | C5 | C21 | N31 | 6.8° | 0.1° |
| N1 | C6 | C5 | O7 | 179.5° | 180.0° |
| N1 | C6 | O7 | C8 | 2.5° | 0.0° |
| N1 | C6 | C5 | C21 | 176.9° | 180.0° |
| C6 | N1 | C2 | H32 | 179.8° | 180.0° |
| C5 | C6 | O7 | C8 | 177.1° | 180.0° |
| C6 | C5 | C21 | O22 | 9.9° | 0.0° |
| C6 | C5 | C21 | N31 | 176.7° | 180.0° |
| C6 | O7 | C8 | C9 | 179.6° | 180.0° |
| O7 | C6 | C5 | C21 | 2.6° | 0.0° |
| C6 | O7 | C8 | H33 | 58.6° | 60.0° |
| C6 | O7 | C8 | H34 | 59.4° | 60.0° |
| O7 | C8 | C9 | H33 | 121.0° | 120.0° |
| O7 | C8 | C9 | H34 | 121.0° | 120.0° |
| O7 | C8 | C9 | N10 | 45.9° | 180.0° |
| O7 | C8 | C9 | N13 | 134.3° | 0.0° |
| O7 | C8 | H33 | H34 | 116.9° | 120.0° |
| C8 | C9 | N10 | N13 | 179.8° | 180.0° |
| C8 | C9 | N10 | C11 | 179.7° | 180.0° |
| C8 | C9 | N13 | C12 | 179.5° | 180.0° |
| C8 | C9 | N10 | C14 | 0.3° | 0.1° |
| C9 | C8 | H33 | H34 | 116.9° | 120.1° |
| C9 | N10 | C11 | C14 | 180.0° | 179.9° |
| C9 | N10 | C11 | C12 | 0.1° | 0.0° |
| N10 | C9 | N13 | C12 | 0.7° | 0.0° |
| C9 | N10 | C11 | H1 | 119.3° | 118.4° |
| C9 | N10 | C11 | H35 | 119.5° | 118.5° |
| N10 | C9 | C8 | H33 | 75.1° | 60.0° |
| N10 | C9 | C8 | H34 | 166.9° | 60.0° |
| C9 | N10 | C14 | H37 | 180.0° | 0.0° |
| C9 | N10 | C14 | H36 | 60.0° | 120.0° |
| C9 | N10 | C14 | H38 | 60.0° | 120.0° |
| N10 | C11 | C12 | H1 | 119.4° | 118.4° |
| N10 | C11 | C12 | H35 | 119.4° | 118.6° |
| C11 | N10 | C9 | N13 | 0.5° | 0.0° |
| N10 | C11 | C12 | N13 | 0.3° | 0.0° |
| N10 | C11 | C12 | C15 | 177.4° | 118.6° |
| N10 | C11 | H1 | H35 | 121.8° | 123.2° |
| N10 | C11 | C12 | H2 | 91.3° | 118.6° |
| C11 | N10 | C14 | H37 | 0.0° | 179.9° |
| C11 | N10 | C14 | H36 | 120.0° | 60.0° |
| C11 | N10 | C14 | H38 | 120.0° | 60.1° |
| C11 | C12 | N13 | C9 | 0.6° | 0.0° |
| C11 | C12 | N13 | C15 | 178.0° | 118.6° |
| C11 | C12 | N13 | H2 | 91.0° | 118.6° |
| C12 | C11 | N10 | C14 | 179.9° | 179.9° |
| C11 | C12 | C15 | H2 | 91.3° | 122.8° |
| C11 | C12 | C15 | C16 | 175.4° | 100.0° |
| C11 | C12 | C15 | C20 | 3.4° | 80.3° |
| C12 | C11 | H1 | H35 | 121.8° | 123.1° |
| N13 | C9 | N10 | C14 | 179.5° | 179.9° |
| C9 | N13 | C12 | C15 | 177.3° | 118.5° |
| N13 | C9 | C8 | H33 | 104.7° | 120.0° |
| N13 | C9 | C8 | H34 | 13.3° | 119.9° |
| C9 | N13 | C12 | H2 | 91.6° | 118.6° |
| N13 | C12 | C15 | H2 | 91.1° | 122.8° |
| N13 | C12 | C15 | C16 | 2.2° | 145.6° |
| N13 | C12 | C15 | C20 | 179.0° | 34.1° |
| N13 | C12 | C11 | H1 | 119.7° | 118.4° |
| N13 | C12 | C11 | H35 | 119.0° | 118.6° |
| C14 | N10 | C11 | H1 | 60.7° | 61.6° |
| C14 | N10 | C11 | H35 | 60.5° | 61.4° |
| N10 | C14 | H37 | H36 | 120.0° | 120.0° |
| N10 | C14 | H37 | H38 | 120.0° | 120.0° |
| N10 | C14 | H36 | H38 | 120.0° | 120.1° |
| C12 | C15 | C16 | C20 | 178.8° | 179.7° |
| C12 | C15 | C16 | C17 | 179.8° | 179.7° |
| C12 | C15 | C20 | C19 | 179.8° | 179.7° |
| C15 | C12 | C11 | H1 | 58.0° | 0.2° |
| C15 | C12 | C11 | H35 | 63.2° | 122.8° |
| C12 | C15 | C16 | H39 | 0.2° | 0.3° |
| C12 | C15 | C20 | H43 | 0.2° | 0.3° |
| C15 | C16 | C17 | H39 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.7° | 0.0° |
| C16 | C15 | C20 | C19 | 1.4° | 0.0° |
| C15 | C16 | C17 | H40 | 179.3° | 180.0° |
| C16 | C15 | C20 | H43 | 178.6° | 180.0° |
| C16 | C15 | C12 | H2 | 93.3° | 22.8° |
| C16 | C17 | C18 | H40 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| C17 | C16 | C15 | C20 | 1.4° | 0.0° |
| C16 | C17 | C18 | H41 | 180.0° | 180.0° |
| C17 | C18 | C19 | H41 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.1° |
| C18 | C17 | C16 | H39 | 179.3° | 180.0° |
| C17 | C18 | C19 | H42 | 179.9° | 180.0° |
| C18 | C19 | C20 | C15 | 0.7° | 0.1° |
| C18 | C19 | C20 | H42 | 180.0° | 179.9° |
| C19 | C18 | C17 | H40 | 179.9° | 180.0° |
| C18 | C19 | C20 | H43 | 179.3° | 179.9° |
| C15 | C20 | C19 | H43 | 180.0° | 180.0° |
| C20 | C15 | C16 | H39 | 178.6° | 180.0° |
| C15 | C20 | C19 | H42 | 179.3° | 180.0° |
| C20 | C15 | C12 | H2 | 87.9° | 156.9° |
| C20 | C19 | C18 | H41 | 179.9° | 179.9° |
| C5 | C21 | O22 | N31 | 172.9° | 179.9° |
| C5 | C21 | N31 | C26 | 177.4° | 180.0° |
| C5 | C21 | N31 | H56 | 2.6° | 0.0° |
| O22 | C21 | N31 | C26 | 3.8° | 0.0° |
| O22 | C21 | N31 | H56 | 176.2° | 180.0° |
| C3 | C23 | C24 | C25 | 110.3° | 107.5° |
| C3 | C23 | C24 | H44 | 143.3° | 145.0° |
| C3 | C23 | C25 | H44 | 148.9° | 145.1° |
| C3 | C23 | C24 | H45 | 140.3° | 145.0° |
| C3 | C23 | C24 | H46 | 0.8° | 0.0° |
| C3 | C23 | C25 | H48 | 4.8° | 0.1° |
| C3 | C23 | C25 | H47 | 145.7° | 145.0° |
| C23 | C3 | C2 | H32 | 0.4° | 0.0° |
| C24 | C23 | C25 | H44 | 106.3° | 107.5° |
| C23 | C24 | C25 | H45 | 109.5° | 107.5° |
| C23 | C24 | C25 | H46 | 109.5° | 107.5° |
| C23 | C24 | H45 | H46 | 144.7° | 145.7° |
| C24 | C23 | C25 | H48 | 109.6° | 107.5° |
| C24 | C23 | C25 | H47 | 109.6° | 107.5° |
| C23 | C25 | H48 | H47 | 144.6° | 145.6° |
| C25 | C24 | H45 | H46 | 144.7° | 145.7° |
| C24 | C25 | H48 | H47 | 144.5° | 145.7° |
| C26 | C27 | C28 | H51 | 118.2° | 118.6° |
| C26 | C27 | C28 | H50 | 118.2° | 118.6° |
| C26 | C27 | C28 | O29 | 18.6° | 24.0° |
| C27 | C26 | C30 | N31 | 120.8° | 118.6° |
| C27 | C26 | C30 | H49 | 114.1° | 118.6° |
| C27 | C26 | C30 | O29 | 39.6° | 24.0° |
| C27 | C26 | N31 | C21 | 56.2° | 155.0° |
| C27 | C26 | N31 | H49 | 121.5° | 122.7° |
| C26 | C27 | H51 | H50 | 125.0° | 122.7° |
| C26 | C27 | C28 | H53 | 139.3° | 142.8° |
| C26 | C27 | C28 | H52 | 102.1° | 94.8° |
| C27 | C26 | C30 | H55 | 159.6° | 94.9° |
| C27 | C26 | C30 | H54 | 80.3° | 142.8° |
| C27 | C26 | N31 | H56 | 123.8° | 25.0° |
| C27 | C28 | O29 | H53 | 120.7° | 118.8° |
| C27 | C28 | O29 | H52 | 120.7° | 118.8° |
| C28 | C27 | C26 | C30 | 32.0° | 0.0° |
| C27 | C28 | O29 | C30 | 4.9° | 40.5° |
| C28 | C27 | C26 | N31 | 91.2° | 118.7° |
| C28 | C27 | C26 | H49 | 146.3° | 118.6° |
| C28 | C27 | H51 | H50 | 125.0° | 122.7° |
| C27 | C28 | H53 | H52 | 117.7° | 122.3° |
| C28 | O29 | C30 | C26 | 28.0° | 40.5° |
| O29 | C28 | C27 | H51 | 99.6° | 94.7° |
| O29 | C28 | C27 | H50 | 136.8° | 142.6° |
| O29 | C28 | H53 | H52 | 117.7° | 122.3° |
| C28 | O29 | C30 | H55 | 148.0° | 78.3° |
| C28 | O29 | C30 | H54 | 92.0° | 159.3° |
| C26 | C30 | O29 | H55 | 120.0° | 118.8° |
| C26 | C30 | O29 | H54 | 120.0° | 118.8° |
| C30 | C26 | N31 | C21 | 170.2° | 90.4° |
| C30 | C26 | N31 | H49 | 124.4° | 122.7° |
| C30 | C26 | C27 | H51 | 86.2° | 118.6° |
| C30 | C26 | C27 | H50 | 150.2° | 118.7° |
| C26 | C30 | H55 | H54 | 120.1° | 122.2° |
| C30 | C26 | N31 | H56 | 9.8° | 89.6° |
| O29 | C30 | C26 | N31 | 81.2° | 142.6° |
| O29 | C30 | C26 | H49 | 153.7° | 94.6° |
| C30 | O29 | C28 | H53 | 115.8° | 159.4° |
| C30 | O29 | C28 | H52 | 125.6° | 78.3° |
| O29 | C30 | H55 | H54 | 120.1° | 122.4° |
| C21 | N31 | C26 | H56 | 180.0° | 180.0° |
| C21 | N31 | C26 | H49 | 65.3° | 32.3° |
| N31 | C26 | C27 | H51 | 150.6° | 122.8° |
| N31 | C26 | C27 | H50 | 27.0° | 0.0° |
| N31 | C26 | C30 | H55 | 38.8° | 23.7° |
| N31 | C26 | C30 | H54 | 158.8° | 98.5° |
| H1 | C11 | C12 | H2 | 149.3° | 123.0° |
| H35 | C11 | C12 | H2 | 28.1° | 0.0° |
| H39 | C16 | C17 | H40 | 0.7° | 0.0° |
| H40 | C17 | C18 | H41 | 0.1° | 0.0° |
| H41 | C18 | C19 | H42 | 0.1° | 0.0° |
| H42 | C19 | C20 | H43 | 0.7° | 0.0° |
| H44 | C23 | C24 | H45 | 3.0° | 0.0° |
| H44 | C23 | C24 | H46 | 144.1° | 145.0° |
| H44 | C23 | C25 | H48 | 144.1° | 145.0° |
| H44 | C23 | C25 | H47 | 3.3° | 0.1° |
| H45 | C24 | C25 | H48 | 140.9° | 145.0° |
| H45 | C24 | C25 | H47 | 0.1° | 0.1° |
| H46 | C24 | C25 | H48 | 0.1° | 0.0° |
| H46 | C24 | C25 | H47 | 140.9° | 145.1° |
| H49 | C26 | C27 | H51 | 28.1° | 0.0° |
| H49 | C26 | C27 | H50 | 95.4° | 122.7° |
| H49 | C26 | C30 | H55 | 86.3° | 146.5° |
| H49 | C26 | C30 | H54 | 33.7° | 24.2° |
| H49 | C26 | N31 | H56 | 114.7° | 147.7° |
| H51 | C27 | C28 | H53 | 21.1° | 24.2° |
| H51 | C27 | C28 | H52 | 139.6° | 146.5° |
| H50 | C27 | C28 | H53 | 102.4° | 98.5° |
| H50 | C27 | C28 | H52 | 16.1° | 23.8° |
| H37 | C14 | H36 | H38 | 120.0° | 120.0° |
