1JI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | CL9 | sing | 1.74Å | 1.74Å | |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C7 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C10 | sing | 1.48Å | 1.47Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | O8 | sing | 1.43Å | 1.36Å | |
| O8 | C17 | sing | 1.36Å | 1.39Å | |
| C10 | O11 | doub | 1.22Å | 1.23Å | |
| C10 | N12 | sing | 1.35Å | 1.37Å | |
| N12 | C22 | sing | 1.47Å | 1.45Å | |
| C13 | C14 | doub | 1.41Å | 1.44Å | Aromatic |
| C13 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C19 | sing | 1.46Å | 1.43Å | Aromatic |
| C14 | N15 | sing | 1.33Å | 1.37Å | Aromatic |
| C14 | N21 | sing | 1.38Å | 1.40Å | Aromatic |
| N15 | C16 | doub | 1.32Å | 1.35Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.44Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.36Å | Aromatic |
| C19 | C20 | doub | 1.34Å | 1.38Å | Aromatic |
| C20 | N21 | sing | 1.37Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.54Å | 1.55Å | |
| C22 | C26 | sing | 1.54Å | 1.55Å | |
| C23 | N24 | sing | 1.48Å | 1.48Å | |
| N24 | C25 | sing | 1.49Å | 1.48Å | |
| C25 | C26 | sing | 1.54Å | 1.57Å | |
| C26 | C27 | sing | 1.51Å | 1.50Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | H39 | sing | 1.08Å | 1.08Å | |
| C18 | H40 | sing | 1.08Å | 1.08Å | |
| C19 | H41 | sing | 1.08Å | 1.08Å | |
| C20 | H42 | sing | 1.08Å | 1.08Å | |
| C22 | H44 | sing | 1.09Å | 1.10Å | |
| C23 | H45 | sing | 1.09Å | 1.10Å | |
| C23 | H46 | sing | 1.09Å | 1.10Å | |
| C25 | H49 | sing | 1.09Å | 1.10Å | |
| C25 | H48 | sing | 1.09Å | 1.10Å | |
| C26 | H50 | sing | 1.09Å | 1.10Å | |
| C28 | H51 | sing | 1.08Å | 1.08Å | |
| C3 | H33 | sing | 1.08Å | 1.08Å | |
| C5 | H34 | sing | 1.08Å | 1.08Å | |
| C6 | H35 | sing | 1.08Å | 1.08Å | |
| C7 | H36 | sing | 1.09Å | 1.10Å | |
| C7 | H37 | sing | 1.09Å | 1.10Å | |
| N12 | H38 | sing | 0.97Å | 1.00Å | |
| N21 | H43 | sing | 0.97Å | 1.00Å | |
| N24 | H47 | sing | 1.01Å | 1.00Å | |
| C29 | H52 | sing | 1.08Å | 1.08Å | |
| C30 | H53 | sing | 1.08Å | 1.08Å | |
| C31 | H54 | sing | 1.08Å | 1.08Å | |
| C32 | H55 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 121.6° | 120.2° |
| C2 | C1 | CL9 | 121.3° | 119.9° |
| C1 | C2 | C3 | 119.1° | 120.2° |
| C1 | C2 | C7 | 119.8° | 119.9° |
| C6 | C1 | CL9 | 117.1° | 119.9° |
| C1 | C6 | C5 | 118.6° | 120.2° |
| C1 | C6 | H35 | 120.7° | 119.9° |
| C3 | C2 | C7 | 120.6° | 119.9° |
| C2 | C3 | C4 | 120.4° | 119.8° |
| C2 | C3 | H33 | 119.8° | 120.1° |
| C2 | C7 | O8 | 109.0° | 109.5° |
| C2 | C7 | H36 | 109.6° | 109.5° |
| C2 | C7 | H37 | 109.6° | 109.4° |
| C3 | C4 | C5 | 120.2° | 119.8° |
| C3 | C4 | C10 | 116.4° | 120.1° |
| C4 | C3 | H33 | 119.8° | 120.1° |
| C5 | C4 | C10 | 123.4° | 120.1° |
| C4 | C5 | C6 | 120.0° | 119.8° |
| C4 | C5 | H34 | 120.0° | 120.2° |
| C4 | C10 | O11 | 121.8° | 120.0° |
| C4 | C10 | N12 | 117.6° | 120.0° |
| C6 | C5 | H34 | 120.0° | 120.0° |
| C5 | C6 | H35 | 120.7° | 120.0° |
| C7 | O8 | C17 | 117.0° | 117.0° |
| O8 | C7 | H36 | 109.6° | 109.5° |
| O8 | C7 | H37 | 109.6° | 109.5° |
| O8 | C17 | C16 | 126.3° | 120.3° |
| O8 | C17 | C18 | 111.5° | 120.4° |
| O11 | C10 | N12 | 120.6° | 120.0° |
| C10 | N12 | C22 | 120.7° | 120.0° |
| C10 | N12 | H38 | 119.6° | 120.0° |
| N12 | C22 | C23 | 110.6° | 110.3° |
| N12 | C22 | C26 | 108.1° | 110.3° |
| N12 | C22 | H44 | 111.8° | 110.4° |
| C22 | N12 | H38 | 119.6° | 120.0° |
| C14 | C13 | C18 | 118.3° | 119.5° |
| C14 | C13 | C19 | 107.8° | 106.2° |
| C13 | C14 | N15 | 126.4° | 119.9° |
| C13 | C14 | N21 | 106.8° | 107.0° |
| C18 | C13 | C19 | 133.8° | 134.3° |
| C13 | C18 | C17 | 116.4° | 118.1° |
| C13 | C18 | H40 | 121.8° | 121.0° |
| C13 | C19 | C20 | 106.5° | 106.9° |
| C13 | C19 | H41 | 126.7° | 126.5° |
| N15 | C14 | N21 | 126.8° | 133.1° |
| C14 | N15 | C16 | 112.9° | 121.8° |
| C14 | N21 | C20 | 108.2° | 110.0° |
| C14 | N21 | H43 | 125.9° | 125.0° |
| N15 | C16 | C17 | 123.7° | 121.5° |
| N15 | C16 | H39 | 118.1° | 119.2° |
| C16 | C17 | C18 | 122.2° | 119.3° |
| C17 | C16 | H39 | 118.1° | 119.3° |
| C17 | C18 | H40 | 121.8° | 120.9° |
| C19 | C20 | N21 | 110.7° | 109.9° |
| C20 | C19 | H41 | 126.7° | 126.5° |
| C19 | C20 | H42 | 124.6° | 125.0° |
| N21 | C20 | H42 | 124.7° | 125.1° |
| C20 | N21 | H43 | 125.9° | 125.0° |
| C23 | C22 | C26 | 105.5° | 105.0° |
| C22 | C23 | N24 | 109.7° | 104.6° |
| C23 | C22 | H44 | 110.4° | 110.3° |
| C22 | C23 | H45 | 109.4° | 110.4° |
| C22 | C23 | H46 | 109.4° | 110.5° |
| C22 | C26 | C25 | 105.8° | 105.1° |
| C22 | C26 | C27 | 109.8° | 110.3° |
| C26 | C22 | H44 | 110.3° | 110.3° |
| C22 | C26 | H50 | 108.6° | 110.4° |
| C23 | N24 | C25 | 109.1° | 104.2° |
| N24 | C23 | H45 | 109.4° | 110.4° |
| N24 | C23 | H46 | 109.4° | 110.4° |
| C23 | N24 | H47 | 109.6° | 111.0° |
| N24 | C25 | C26 | 108.6° | 104.5° |
| N24 | C25 | H49 | 109.7° | 110.4° |
| N24 | C25 | H48 | 109.6° | 110.5° |
| C25 | N24 | H47 | 109.6° | 111.0° |
| C25 | C26 | C27 | 114.8° | 110.3° |
| C26 | C25 | H49 | 109.6° | 110.4° |
| C26 | C25 | H48 | 109.7° | 110.4° |
| C25 | C26 | H50 | 108.4° | 110.3° |
| C26 | C27 | C28 | 118.7° | 120.0° |
| C26 | C27 | C32 | 121.7° | 120.0° |
| C27 | C26 | H50 | 109.3° | 110.3° |
| C28 | C27 | C32 | 119.5° | 120.0° |
| C27 | C28 | C29 | 120.9° | 120.0° |
| C27 | C28 | H51 | 119.6° | 120.1° |
| C27 | C32 | C31 | 119.5° | 120.0° |
| C27 | C32 | H55 | 120.3° | 120.0° |
| C28 | C29 | C30 | 120.3° | 120.0° |
| C29 | C28 | H51 | 119.6° | 120.0° |
| C28 | C29 | H52 | 119.9° | 120.0° |
| C29 | C30 | C31 | 119.7° | 120.0° |
| C30 | C29 | H52 | 119.8° | 120.0° |
| C29 | C30 | H53 | 120.2° | 120.0° |
| C30 | C31 | C32 | 120.0° | 120.0° |
| C31 | C30 | H53 | 120.1° | 120.1° |
| C30 | C31 | H54 | 120.0° | 120.0° |
| C32 | C31 | H54 | 120.0° | 120.0° |
| C31 | C32 | H55 | 120.2° | 120.0° |
| H45 | C23 | H46 | 109.5° | 110.4° |
| H49 | C25 | H48 | 109.5° | 110.4° |
| H36 | C7 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | CL9 | 178.0° | 179.7° |
| C1 | C2 | C3 | C7 | 171.9° | 180.0° |
| C1 | C2 | C3 | C4 | 4.9° | 0.0° |
| C2 | C1 | C6 | C5 | 1.3° | 0.0° |
| C1 | C2 | C7 | O8 | 93.9° | 180.0° |
| C1 | C2 | C3 | H33 | 175.1° | 179.9° |
| C2 | C1 | C6 | H35 | 178.8° | 180.0° |
| C1 | C2 | C7 | H36 | 26.1° | 59.9° |
| C1 | C2 | C7 | H37 | 146.2° | 60.0° |
| C6 | C1 | C2 | C3 | 4.3° | 0.0° |
| C6 | C1 | C2 | C7 | 167.7° | 180.0° |
| C1 | C6 | C5 | C4 | 1.2° | 0.0° |
| C1 | C6 | C5 | H35 | 180.0° | 180.0° |
| C1 | C6 | C5 | H34 | 178.8° | 179.9° |
| CL9 | C1 | C2 | C3 | 173.6° | 179.7° |
| CL9 | C1 | C2 | C7 | 14.5° | 0.3° |
| CL9 | C1 | C6 | C5 | 176.7° | 179.7° |
| CL9 | C1 | C6 | H35 | 3.3° | 0.3° |
| C2 | C3 | C4 | H33 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 2.5° | 0.0° |
| C2 | C3 | C4 | C10 | 175.5° | 180.0° |
| C3 | C2 | C7 | O8 | 94.3° | 0.0° |
| C3 | C2 | C7 | H36 | 145.8° | 120.1° |
| C3 | C2 | C7 | H37 | 25.6° | 120.0° |
| C7 | C2 | C3 | C4 | 167.0° | 180.0° |
| C2 | C7 | O8 | H36 | 119.9° | 120.0° |
| C2 | C7 | O8 | H37 | 119.9° | 119.9° |
| C2 | C7 | O8 | C17 | 171.6° | 179.9° |
| C7 | C2 | C3 | H33 | 12.9° | 0.1° |
| C2 | C7 | H36 | H37 | 120.3° | 119.9° |
| C3 | C4 | C5 | C10 | 177.9° | 180.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.0° |
| C3 | C4 | C10 | O11 | 4.0° | 0.1° |
| C3 | C4 | C10 | N12 | 178.5° | 179.7° |
| C3 | C4 | C5 | H34 | 179.3° | 180.0° |
| C4 | C5 | C6 | H34 | 180.0° | 179.9° |
| C5 | C4 | C10 | O11 | 178.1° | 180.0° |
| C5 | C4 | C10 | N12 | 0.6° | 0.2° |
| C5 | C4 | C3 | H33 | 177.6° | 179.9° |
| C4 | C5 | C6 | H35 | 178.8° | 180.0° |
| C10 | C4 | C5 | C6 | 178.5° | 180.0° |
| C4 | C10 | O11 | N12 | 177.4° | 179.8° |
| C4 | C10 | N12 | C22 | 178.3° | 179.8° |
| C10 | C4 | C3 | H33 | 4.4° | 0.1° |
| C10 | C4 | C5 | H34 | 1.5° | 0.1° |
| C4 | C10 | N12 | H38 | 1.7° | 0.2° |
| C7 | O8 | C17 | C16 | 14.2° | 0.1° |
| C7 | O8 | C17 | C18 | 167.0° | 180.0° |
| O8 | C7 | H36 | H37 | 120.2° | 120.0° |
| O8 | C17 | C18 | C13 | 178.5° | 180.0° |
| O8 | C17 | C16 | N15 | 178.1° | 180.0° |
| O8 | C17 | C16 | C18 | 178.7° | 179.9° |
| O8 | C17 | C16 | H39 | 1.9° | 0.1° |
| O8 | C17 | C18 | H40 | 1.5° | 0.0° |
| C17 | O8 | C7 | H36 | 68.4° | 60.0° |
| C17 | O8 | C7 | H37 | 51.7° | 60.0° |
| O11 | C10 | N12 | C22 | 4.2° | 0.1° |
| O11 | C10 | N12 | H38 | 175.8° | 180.0° |
| C10 | N12 | C22 | H38 | 180.0° | 180.0° |
| C10 | N12 | C22 | C23 | 136.2° | 86.5° |
| C10 | N12 | C22 | C26 | 108.7° | 157.9° |
| C10 | N12 | C22 | H44 | 12.9° | 35.7° |
| N12 | C22 | C23 | C26 | 116.7° | 118.9° |
| N12 | C22 | C23 | H44 | 124.2° | 122.2° |
| N12 | C22 | C26 | H44 | 122.5° | 122.2° |
| N12 | C22 | C23 | N24 | 107.6° | 95.0° |
| N12 | C22 | C26 | C25 | 107.1° | 118.9° |
| N12 | C22 | C26 | C27 | 128.5° | 122.2° |
| N12 | C22 | C23 | H45 | 12.4° | 23.8° |
| N12 | C22 | C23 | H46 | 132.4° | 146.1° |
| N12 | C22 | C26 | H50 | 9.1° | 0.0° |
| C14 | C13 | C18 | C19 | 179.2° | 179.8° |
| C13 | C14 | N15 | N21 | 179.6° | 179.6° |
| C13 | C14 | N15 | C16 | 0.4° | 0.0° |
| C14 | C13 | C18 | C17 | 0.3° | 0.0° |
| C14 | C13 | C19 | C20 | 0.1° | 0.0° |
| C13 | C14 | N21 | C20 | 0.1° | 0.1° |
| C14 | C13 | C18 | H40 | 179.8° | 180.0° |
| C14 | C13 | C19 | H41 | 179.9° | 180.0° |
| C13 | C14 | N21 | H43 | 179.9° | 180.0° |
| C18 | C13 | C14 | N15 | 0.3° | 0.1° |
| C18 | C13 | C14 | N21 | 179.4° | 179.8° |
| C13 | C18 | C17 | C16 | 0.4° | 0.0° |
| C13 | C18 | C17 | H40 | 180.0° | 180.0° |
| C18 | C13 | C19 | C20 | 179.2° | 179.8° |
| C18 | C13 | C19 | H41 | 0.8° | 0.2° |
| C19 | C13 | C14 | N15 | 179.7° | 179.8° |
| C19 | C13 | C14 | N21 | 0.0° | 0.1° |
| C19 | C13 | C18 | C17 | 179.5° | 179.8° |
| C13 | C19 | C20 | H41 | 180.0° | 179.9° |
| C13 | C19 | C20 | N21 | 0.2° | 0.0° |
| C19 | C13 | C18 | H40 | 0.5° | 0.2° |
| C13 | C19 | C20 | H42 | 179.8° | 180.0° |
| C14 | N15 | C16 | C17 | 0.5° | 0.0° |
| N15 | C14 | N21 | C20 | 179.6° | 179.7° |
| C14 | N15 | C16 | H39 | 179.5° | 180.0° |
| N15 | C14 | N21 | H43 | 0.4° | 0.4° |
| N21 | C14 | N15 | C16 | 179.2° | 179.7° |
| C14 | N21 | C20 | C19 | 0.1° | 0.1° |
| C14 | N21 | C20 | H43 | 180.0° | 179.9° |
| C14 | N21 | C20 | H42 | 179.9° | 180.0° |
| N15 | C16 | C17 | H39 | 180.0° | 180.0° |
| N15 | C16 | C17 | C18 | 0.6° | 0.0° |
| C16 | C17 | C18 | H40 | 179.6° | 180.0° |
| C18 | C17 | C16 | H39 | 179.4° | 180.0° |
| C19 | C20 | N21 | H42 | 180.0° | 180.0° |
| C19 | C20 | N21 | H43 | 179.9° | 179.9° |
| N21 | C20 | C19 | H41 | 179.8° | 179.9° |
| C23 | C22 | C26 | H44 | 119.2° | 118.9° |
| C22 | C23 | N24 | H45 | 120.0° | 118.8° |
| C22 | C23 | N24 | H46 | 120.0° | 118.9° |
| C22 | C23 | N24 | C25 | 2.9° | 39.5° |
| C23 | C22 | C26 | C25 | 11.3° | 0.0° |
| C23 | C22 | C26 | C27 | 113.2° | 118.9° |
| C22 | C23 | H45 | H46 | 119.9° | 122.4° |
| C23 | C22 | C26 | H50 | 127.4° | 118.9° |
| C23 | C22 | N12 | H38 | 43.7° | 93.6° |
| C22 | C23 | N24 | H47 | 117.1° | 80.0° |
| C26 | C22 | C23 | N24 | 9.0° | 23.9° |
| C22 | C26 | C25 | N24 | 10.0° | 23.9° |
| C22 | C26 | C25 | C27 | 121.2° | 118.9° |
| C22 | C26 | C25 | H50 | 116.3° | 119.0° |
| C22 | C26 | C27 | H50 | 119.0° | 122.2° |
| C22 | C26 | C27 | C28 | 95.3° | 120.0° |
| C22 | C26 | C27 | C32 | 81.5° | 60.3° |
| C26 | C22 | C23 | H45 | 129.1° | 142.7° |
| C26 | C22 | C23 | H46 | 111.0° | 95.0° |
| C22 | C26 | C25 | H49 | 109.9° | 94.9° |
| C22 | C26 | C25 | H48 | 129.8° | 142.7° |
| C26 | C22 | N12 | H38 | 71.3° | 22.1° |
| C23 | N24 | C25 | H47 | 119.9° | 119.6° |
| C23 | N24 | C25 | C26 | 4.5° | 39.5° |
| N24 | C23 | C22 | H44 | 128.2° | 142.7° |
| N24 | C23 | H45 | H46 | 119.9° | 122.4° |
| C23 | N24 | C25 | H49 | 115.4° | 79.3° |
| C23 | N24 | C25 | H48 | 124.3° | 158.3° |
| N24 | C25 | C26 | H49 | 119.9° | 118.8° |
| N24 | C25 | C26 | H48 | 119.8° | 118.9° |
| N24 | C25 | C26 | C27 | 111.3° | 142.7° |
| C25 | N24 | C23 | H45 | 122.9° | 158.3° |
| C25 | N24 | C23 | H46 | 117.1° | 79.3° |
| N24 | C25 | H49 | H48 | 120.4° | 122.5° |
| N24 | C25 | C26 | H50 | 126.3° | 95.1° |
| C25 | C26 | C27 | H50 | 121.9° | 122.2° |
| C25 | C26 | C27 | C28 | 145.7° | 124.3° |
| C25 | C26 | C27 | C32 | 37.5° | 55.3° |
| C25 | C26 | C22 | H44 | 130.4° | 118.9° |
| C26 | C25 | H49 | H48 | 120.4° | 122.4° |
| C26 | C25 | N24 | H47 | 124.4° | 80.1° |
| C26 | C27 | C28 | C32 | 176.8° | 179.6° |
| C26 | C27 | C28 | C29 | 176.3° | 180.0° |
| C26 | C27 | C32 | C31 | 176.0° | 179.8° |
| C27 | C26 | C22 | H44 | 6.0° | 0.0° |
| C27 | C26 | C25 | H49 | 128.9° | 24.0° |
| C27 | C26 | C25 | H48 | 8.6° | 98.4° |
| C26 | C27 | C28 | H51 | 3.7° | 0.1° |
| C26 | C27 | C32 | H55 | 4.0° | 0.1° |
| C27 | C28 | C29 | H51 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.1° | 0.1° |
| C28 | C27 | C32 | C31 | 0.8° | 0.6° |
| C28 | C27 | C26 | H50 | 23.7° | 2.1° |
| C27 | C28 | C29 | H52 | 179.9° | 179.9° |
| C28 | C27 | C32 | H55 | 179.2° | 179.7° |
| C32 | C27 | C28 | C29 | 0.6° | 0.4° |
| C27 | C32 | C31 | C30 | 0.3° | 0.5° |
| C27 | C32 | C31 | H55 | 180.0° | 179.7° |
| C32 | C27 | C26 | H50 | 159.5° | 177.5° |
| C32 | C27 | C28 | H51 | 179.4° | 179.7° |
| C27 | C32 | C31 | H54 | 179.7° | 179.7° |
| C28 | C29 | C30 | H52 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.5° | 0.0° |
| C28 | C29 | C30 | H53 | 179.5° | 180.0° |
| C29 | C30 | C31 | H53 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.3° | 0.2° |
| C30 | C29 | C28 | H51 | 179.9° | 180.0° |
| C29 | C30 | C31 | H54 | 179.7° | 180.0° |
| C30 | C31 | C32 | H54 | 180.0° | 179.8° |
| C31 | C30 | C29 | H52 | 179.5° | 180.0° |
| C30 | C31 | C32 | H55 | 179.7° | 179.8° |
| C32 | C31 | C30 | H53 | 179.7° | 179.8° |
| H41 | C19 | C20 | H42 | 0.2° | 0.0° |
| H42 | C20 | N21 | H43 | 0.1° | 0.1° |
| H44 | C22 | C23 | H45 | 111.8° | 98.5° |
| H44 | C22 | C23 | H46 | 8.2° | 23.9° |
| H44 | C22 | C26 | H50 | 113.4° | 122.2° |
| H44 | C22 | N12 | H38 | 167.1° | 144.3° |
| H45 | C23 | N24 | H47 | 2.9° | 38.7° |
| H46 | C23 | N24 | H47 | 122.9° | 161.1° |
| H49 | C25 | C26 | H50 | 6.4° | 146.1° |
| H49 | C25 | N24 | H47 | 4.6° | 161.1° |
| H48 | C25 | C26 | H50 | 113.9° | 23.8° |
| H48 | C25 | N24 | H47 | 115.7° | 38.7° |
| H51 | C28 | C29 | H52 | 0.1° | 0.0° |
| H34 | C5 | C6 | H35 | 1.3° | 0.0° |
| H52 | C29 | C30 | H53 | 0.5° | 0.0° |
| H53 | C30 | C31 | H54 | 0.3° | 0.0° |
| H54 | C31 | C32 | H55 | 0.3° | 0.0° |
