KJ3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | F7 | sing | 1.35Å | 1.37Å | |
| C2 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C5 | doub | 1.40Å | 1.42Å | Aromatic |
| C3 | C11 | sing | 1.48Å | 1.44Å | |
| C4 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | O8 | sing | 1.36Å | 1.40Å | |
| O8 | C9 | sing | 1.43Å | 1.45Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C11 | N12 | doub | 1.31Å | 1.33Å | Aromatic |
| C11 | O15 | sing | 1.35Å | 1.42Å | Aromatic |
| N12 | C13 | sing | 1.34Å | 1.41Å | Aromatic |
| C13 | C14 | doub | 1.35Å | 1.43Å | Aromatic |
| C13 | C17 | sing | 1.51Å | 1.50Å | |
| C14 | O15 | sing | 1.35Å | 1.43Å | Aromatic |
| C14 | C16 | sing | 1.51Å | 1.49Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | O19 | sing | 1.43Å | 1.45Å | |
| O19 | C20 | sing | 1.36Å | 1.40Å | |
| C20 | C21 | doub | 1.37Å | 1.40Å | Aromatic |
| C20 | C24 | sing | 1.41Å | 1.46Å | Aromatic |
| C21 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | C23 | doub | 1.36Å | 1.39Å | Aromatic |
| C22 | C25 | sing | 1.41Å | 1.43Å | Aromatic |
| C22 | C30 | sing | 1.51Å | 1.50Å | |
| C24 | C25 | doub | 1.42Å | 1.42Å | Aromatic |
| C24 | C29 | sing | 1.40Å | 1.44Å | Aromatic |
| C25 | C28 | sing | 1.40Å | 1.43Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.43Å | Aromatic |
| C26 | C28 | doub | 1.36Å | 1.38Å | Aromatic |
| C27 | C29 | doub | 1.36Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C31 | C32 | sing | 1.51Å | 1.53Å | |
| C31 | O33 | sing | 1.43Å | 1.44Å | |
| C32 | O35 | doub | 1.21Å | 1.37Å | |
| C32 | O36 | sing | 1.34Å | 1.25Å | |
| O33 | C34 | sing | 1.43Å | 1.44Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| C26 | H18 | sing | 1.08Å | 1.08Å | |
| C27 | H19 | sing | 1.08Å | 1.08Å | |
| C28 | H20 | sing | 1.08Å | 1.08Å | |
| C29 | H21 | sing | 1.08Å | 1.08Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| O36 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 121.1° | 120.3° |
| C2 | C1 | F7 | 120.9° | 119.9° |
| C1 | C2 | C5 | 118.8° | 120.1° |
| C1 | C2 | H1 | 120.6° | 120.0° |
| C6 | C1 | F7 | 118.1° | 119.8° |
| C1 | C6 | C4 | 120.0° | 120.2° |
| C1 | C6 | H3 | 120.0° | 119.9° |
| C2 | C5 | C3 | 119.1° | 119.7° |
| C2 | C5 | O8 | 125.3° | 120.1° |
| C5 | C2 | H1 | 120.6° | 119.9° |
| C4 | C3 | C5 | 121.0° | 119.7° |
| C4 | C3 | C11 | 117.4° | 120.1° |
| C3 | C4 | C6 | 119.9° | 119.9° |
| C3 | C4 | H2 | 120.1° | 120.1° |
| C5 | C3 | C11 | 121.6° | 120.1° |
| C3 | C5 | O8 | 115.5° | 120.2° |
| C3 | C11 | N12 | 126.3° | 125.8° |
| C3 | C11 | O15 | 120.8° | 125.8° |
| C6 | C4 | H2 | 120.0° | 120.0° |
| C4 | C6 | H3 | 120.0° | 119.9° |
| C5 | O8 | C9 | 122.0° | 117.0° |
| O8 | C9 | C10 | 106.9° | 109.5° |
| O8 | C9 | H4 | 110.1° | 109.5° |
| O8 | C9 | H5 | 110.1° | 109.5° |
| C10 | C9 | H4 | 110.1° | 109.4° |
| C10 | C9 | H5 | 110.1° | 109.5° |
| C9 | C10 | H6 | 109.5° | 109.5° |
| C9 | C10 | H7 | 109.5° | 109.5° |
| C9 | C10 | H8 | 109.5° | 109.4° |
| N12 | C11 | O15 | 112.9° | 108.5° |
| C11 | N12 | C13 | 106.5° | 108.7° |
| C11 | O15 | C14 | 105.0° | 107.8° |
| N12 | C13 | C14 | 109.2° | 107.8° |
| N12 | C13 | C17 | 120.3° | 126.1° |
| C14 | C13 | C17 | 130.5° | 126.1° |
| C13 | C14 | O15 | 106.4° | 107.3° |
| C13 | C14 | C16 | 134.7° | 126.3° |
| C13 | C17 | C18 | 115.9° | 109.5° |
| C13 | C17 | H12 | 107.8° | 109.5° |
| C13 | C17 | H13 | 107.9° | 109.5° |
| O15 | C14 | C16 | 118.9° | 126.4° |
| C14 | C16 | H9 | 109.5° | 109.5° |
| C14 | C16 | H10 | 109.5° | 109.5° |
| C14 | C16 | H11 | 109.5° | 109.5° |
| C17 | C18 | O19 | 104.4° | 109.5° |
| C18 | C17 | H12 | 107.9° | 109.5° |
| C18 | C17 | H13 | 107.9° | 109.5° |
| C17 | C18 | H14 | 110.7° | 109.4° |
| C17 | C18 | H15 | 110.7° | 109.4° |
| C18 | O19 | C20 | 120.2° | 116.9° |
| O19 | C18 | H14 | 110.7° | 109.5° |
| O19 | C18 | H15 | 110.7° | 109.5° |
| O19 | C20 | C21 | 125.4° | 120.3° |
| O19 | C20 | C24 | 112.6° | 120.2° |
| C21 | C20 | C24 | 122.1° | 119.6° |
| C20 | C21 | C23 | 117.8° | 120.9° |
| C20 | C21 | H16 | 121.1° | 119.5° |
| C20 | C24 | C25 | 118.3° | 119.3° |
| C20 | C24 | C29 | 122.8° | 121.3° |
| C21 | C23 | C22 | 122.0° | 121.1° |
| C23 | C21 | H16 | 121.1° | 119.6° |
| C21 | C23 | H17 | 119.0° | 119.4° |
| C23 | C22 | C25 | 120.7° | 119.8° |
| C23 | C22 | C30 | 121.9° | 120.2° |
| C22 | C23 | H17 | 119.0° | 119.4° |
| C25 | C22 | C30 | 117.2° | 120.1° |
| C22 | C25 | C24 | 119.1° | 119.4° |
| C22 | C25 | C28 | 121.7° | 121.3° |
| C22 | C30 | C31 | 121.6° | 109.5° |
| C22 | C30 | H22 | 106.3° | 109.5° |
| C22 | C30 | H23 | 106.3° | 109.5° |
| C25 | C24 | C29 | 118.9° | 119.4° |
| C24 | C25 | C28 | 119.3° | 119.3° |
| C24 | C29 | C27 | 120.2° | 119.7° |
| C24 | C29 | H21 | 119.9° | 120.2° |
| C25 | C28 | C26 | 121.2° | 119.7° |
| C25 | C28 | H20 | 119.4° | 120.2° |
| C27 | C26 | C28 | 119.5° | 120.9° |
| C26 | C27 | C29 | 120.9° | 121.0° |
| C27 | C26 | H18 | 120.2° | 119.6° |
| C26 | C27 | H19 | 119.5° | 119.5° |
| C28 | C26 | H18 | 120.3° | 119.5° |
| C26 | C28 | H20 | 119.4° | 120.1° |
| C29 | C27 | H19 | 119.5° | 119.5° |
| C27 | C29 | H21 | 119.9° | 120.1° |
| C30 | C31 | C32 | 109.8° | 109.5° |
| C30 | C31 | O33 | 104.4° | 109.5° |
| C31 | C30 | H22 | 106.4° | 109.4° |
| C31 | C30 | H23 | 106.4° | 109.5° |
| C30 | C31 | H24 | 109.6° | 109.4° |
| C32 | C31 | O33 | 112.3° | 109.5° |
| C31 | C32 | O35 | 114.4° | 120.0° |
| C31 | C32 | O36 | 130.3° | 120.0° |
| C32 | C31 | H24 | 109.6° | 109.5° |
| C31 | O33 | C34 | 117.0° | 114.0° |
| O33 | C31 | H24 | 111.1° | 109.5° |
| O35 | C32 | O36 | 115.3° | 120.0° |
| C32 | O36 | H28 | 109.5° | 117.0° |
| O33 | C34 | H25 | 109.5° | 109.5° |
| O33 | C34 | H26 | 109.5° | 109.4° |
| O33 | C34 | H27 | 109.4° | 109.5° |
| H4 | C9 | H5 | 109.5° | 109.5° |
| H6 | C10 | H7 | 109.4° | 109.5° |
| H6 | C10 | H8 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.4° | 109.5° |
| H9 | C16 | H10 | 109.5° | 109.5° |
| H9 | C16 | H11 | 109.5° | 109.5° |
| H10 | C16 | H11 | 109.5° | 109.5° |
| H12 | C17 | H13 | 109.4° | 109.4° |
| H14 | C18 | H15 | 109.5° | 109.5° |
| H22 | C30 | H23 | 109.5° | 109.5° |
| H25 | C34 | H26 | 109.4° | 109.5° |
| H25 | C34 | H27 | 109.5° | 109.5° |
| H26 | C34 | H27 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | F7 | 179.5° | 179.8° |
| C1 | C2 | C5 | H1 | 180.0° | 180.0° |
| C1 | C2 | C5 | C3 | 0.5° | 0.0° |
| C2 | C1 | C6 | C4 | 0.0° | 0.1° |
| C1 | C2 | C5 | O8 | 179.8° | 180.0° |
| C2 | C1 | C6 | H3 | 179.9° | 180.0° |
| C6 | C1 | C2 | C5 | 0.5° | 0.0° |
| C1 | C6 | C4 | C3 | 0.3° | 0.0° |
| C1 | C6 | C4 | H3 | 180.0° | 179.9° |
| C6 | C1 | C2 | H1 | 179.5° | 180.0° |
| C1 | C6 | C4 | H2 | 179.7° | 179.9° |
| F7 | C1 | C2 | C5 | 179.0° | 179.7° |
| F7 | C1 | C6 | C4 | 179.5° | 179.7° |
| F7 | C1 | C2 | H1 | 1.0° | 0.3° |
| F7 | C1 | C6 | H3 | 0.6° | 0.2° |
| C2 | C5 | C3 | C4 | 0.1° | 0.1° |
| C2 | C5 | C3 | O8 | 179.7° | 179.9° |
| C2 | C5 | C3 | C11 | 178.4° | 180.0° |
| C2 | C5 | O8 | C9 | 20.2° | 0.0° |
| C4 | C3 | C5 | C11 | 178.5° | 180.0° |
| C3 | C4 | C6 | H2 | 180.0° | 180.0° |
| C4 | C3 | C5 | O8 | 179.8° | 180.0° |
| C4 | C3 | C11 | N12 | 168.3° | 0.1° |
| C4 | C3 | C11 | O15 | 9.3° | 179.7° |
| C3 | C4 | C6 | H3 | 179.7° | 179.9° |
| C5 | C3 | C4 | C6 | 0.3° | 0.0° |
| C3 | C5 | O8 | C9 | 160.1° | 180.0° |
| C5 | C3 | C11 | N12 | 10.3° | 180.0° |
| C5 | C3 | C11 | O15 | 172.1° | 0.3° |
| C3 | C5 | C2 | H1 | 179.5° | 180.0° |
| C5 | C3 | C4 | H2 | 179.7° | 180.0° |
| C11 | C3 | C4 | C6 | 178.9° | 180.0° |
| C11 | C3 | C5 | O8 | 1.3° | 0.0° |
| C3 | C11 | N12 | O15 | 177.8° | 179.8° |
| C3 | C11 | N12 | C13 | 177.7° | 180.0° |
| C3 | C11 | O15 | C14 | 178.4° | 179.9° |
| C11 | C3 | C4 | H2 | 1.1° | 0.0° |
| C5 | O8 | C9 | C10 | 117.1° | 180.0° |
| O8 | C5 | C2 | H1 | 0.2° | 0.0° |
| C5 | O8 | C9 | H4 | 2.5° | 60.0° |
| C5 | O8 | C9 | H5 | 123.2° | 60.0° |
| O8 | C9 | C10 | H4 | 119.6° | 120.0° |
| O8 | C9 | C10 | H5 | 119.6° | 120.0° |
| O8 | C9 | H4 | H5 | 121.1° | 120.0° |
| O8 | C9 | C10 | H6 | 180.0° | 60.0° |
| O8 | C9 | C10 | H7 | 60.0° | 180.0° |
| O8 | C9 | C10 | H8 | 60.0° | 60.0° |
| C10 | C9 | H4 | H5 | 121.2° | 120.0° |
| C9 | C10 | H6 | H7 | 120.0° | 120.0° |
| C9 | C10 | H6 | H8 | 120.0° | 119.9° |
| C9 | C10 | H7 | H8 | 120.0° | 119.9° |
| C11 | N12 | C13 | C14 | 0.7° | 0.0° |
| C11 | N12 | C13 | C17 | 178.3° | 180.0° |
| N12 | C11 | O15 | C14 | 0.4° | 0.4° |
| O15 | C11 | N12 | C13 | 0.1° | 0.2° |
| C11 | O15 | C14 | C13 | 0.8° | 0.4° |
| C11 | O15 | C14 | C16 | 179.3° | 179.9° |
| N12 | C13 | C14 | C17 | 177.3° | 180.0° |
| N12 | C13 | C14 | O15 | 0.9° | 0.2° |
| N12 | C13 | C14 | C16 | 179.2° | 180.0° |
| N12 | C13 | C17 | C18 | 79.3° | 90.0° |
| N12 | C13 | C17 | H12 | 159.7° | 149.9° |
| N12 | C13 | C17 | H13 | 41.6° | 30.0° |
| C13 | C14 | O15 | C16 | 179.9° | 179.8° |
| C14 | C13 | C17 | C18 | 103.6° | 90.0° |
| C13 | C14 | C16 | H9 | 179.8° | 90.0° |
| C13 | C14 | C16 | H10 | 60.2° | 150.0° |
| C13 | C14 | C16 | H11 | 59.9° | 30.0° |
| C14 | C13 | C17 | H12 | 17.4° | 30.0° |
| C14 | C13 | C17 | H13 | 135.4° | 149.9° |
| C17 | C13 | C14 | O15 | 178.2° | 179.8° |
| C17 | C13 | C14 | C16 | 1.9° | 0.0° |
| C13 | C17 | C18 | H12 | 120.9° | 120.0° |
| C13 | C17 | C18 | H13 | 121.0° | 120.0° |
| C13 | C17 | C18 | O19 | 78.6° | 180.0° |
| C13 | C17 | H12 | H13 | 117.1° | 119.9° |
| C13 | C17 | C18 | H14 | 162.3° | 60.0° |
| C13 | C17 | C18 | H15 | 40.6° | 60.0° |
| O15 | C14 | C16 | H9 | 0.0° | 89.7° |
| O15 | C14 | C16 | H10 | 120.0° | 30.2° |
| O15 | C14 | C16 | H11 | 120.0° | 150.3° |
| C14 | C16 | H9 | H10 | 120.0° | 120.0° |
| C14 | C16 | H9 | H11 | 120.0° | 120.0° |
| C14 | C16 | H10 | H11 | 120.0° | 120.0° |
| C17 | C18 | O19 | H14 | 119.2° | 120.0° |
| C17 | C18 | O19 | H15 | 119.2° | 120.0° |
| C17 | C18 | O19 | C20 | 177.2° | 180.0° |
| C18 | C17 | H12 | H13 | 117.1° | 120.0° |
| C17 | C18 | H14 | H15 | 122.4° | 119.9° |
| C18 | O19 | C20 | C21 | 13.3° | 0.0° |
| C18 | O19 | C20 | C24 | 166.9° | 179.8° |
| O19 | C18 | C17 | H12 | 42.4° | 60.0° |
| O19 | C18 | C17 | H13 | 160.5° | 60.0° |
| O19 | C18 | H14 | H15 | 122.3° | 120.1° |
| O19 | C20 | C21 | C24 | 179.8° | 179.8° |
| O19 | C20 | C21 | C23 | 179.5° | 180.0° |
| O19 | C20 | C24 | C25 | 179.4° | 180.0° |
| O19 | C20 | C24 | C29 | 0.1° | 0.0° |
| C20 | O19 | C18 | H14 | 63.6° | 60.0° |
| C20 | O19 | C18 | H15 | 58.0° | 60.0° |
| O19 | C20 | C21 | H16 | 0.5° | 0.0° |
| C20 | C21 | C23 | H16 | 180.0° | 180.0° |
| C20 | C21 | C23 | C22 | 0.8° | 0.1° |
| C21 | C20 | C24 | C25 | 0.5° | 0.2° |
| C21 | C20 | C24 | C29 | 180.0° | 179.8° |
| C20 | C21 | C23 | H17 | 179.3° | 180.0° |
| C24 | C20 | C21 | C23 | 0.4° | 0.2° |
| C20 | C24 | C25 | C22 | 0.5° | 0.0° |
| C20 | C24 | C25 | C29 | 179.5° | 180.0° |
| C20 | C24 | C25 | C28 | 179.4° | 179.8° |
| C20 | C24 | C29 | C27 | 179.4° | 180.0° |
| C24 | C20 | C21 | H16 | 179.7° | 179.8° |
| C20 | C24 | C29 | H21 | 0.6° | 0.0° |
| C21 | C23 | C22 | H17 | 180.0° | 180.0° |
| C21 | C23 | C22 | C25 | 1.8° | 0.3° |
| C21 | C23 | C22 | C30 | 178.7° | 180.0° |
| C23 | C22 | C25 | C30 | 177.0° | 179.7° |
| C23 | C22 | C25 | C24 | 1.6° | 0.3° |
| C23 | C22 | C25 | C28 | 179.5° | 180.0° |
| C23 | C22 | C30 | C31 | 76.5° | 95.0° |
| C22 | C23 | C21 | H16 | 179.2° | 179.9° |
| C23 | C22 | C30 | H22 | 45.1° | 25.0° |
| C23 | C22 | C30 | H23 | 161.8° | 145.0° |
| C22 | C25 | C24 | C28 | 178.9° | 179.7° |
| C22 | C25 | C24 | C29 | 179.0° | 180.0° |
| C22 | C25 | C28 | C26 | 179.0° | 180.0° |
| C25 | C22 | C30 | C31 | 106.4° | 85.3° |
| C25 | C22 | C23 | H17 | 178.3° | 179.7° |
| C22 | C25 | C28 | H20 | 1.0° | 0.1° |
| C25 | C22 | C30 | H22 | 131.9° | 154.8° |
| C25 | C22 | C30 | H23 | 15.3° | 34.7° |
| C30 | C22 | C25 | C24 | 178.6° | 180.0° |
| C30 | C22 | C25 | C28 | 2.5° | 0.3° |
| C22 | C30 | C31 | H22 | 121.7° | 120.0° |
| C22 | C30 | C31 | H23 | 121.7° | 120.1° |
| C22 | C30 | C31 | C32 | 94.6° | 175.0° |
| C22 | C30 | C31 | O33 | 144.8° | 65.0° |
| C30 | C22 | C23 | H17 | 1.4° | 0.0° |
| C22 | C30 | H22 | H23 | 114.5° | 120.1° |
| C22 | C30 | C31 | H24 | 25.8° | 55.0° |
| C24 | C25 | C28 | C26 | 0.1° | 0.3° |
| C25 | C24 | C29 | C27 | 0.1° | 0.0° |
| C24 | C25 | C28 | H20 | 179.9° | 179.7° |
| C25 | C24 | C29 | H21 | 179.9° | 180.0° |
| C29 | C24 | C25 | C28 | 0.1° | 0.3° |
| C24 | C29 | C27 | C26 | 0.0° | 0.2° |
| C24 | C29 | C27 | H21 | 180.0° | 180.0° |
| C24 | C29 | C27 | H19 | 180.0° | 179.9° |
| C25 | C28 | C26 | C27 | 0.1° | 0.1° |
| C25 | C28 | C26 | H20 | 180.0° | 179.9° |
| C25 | C28 | C26 | H18 | 179.9° | 179.7° |
| C27 | C26 | C28 | H18 | 180.0° | 179.8° |
| C26 | C27 | C29 | H19 | 180.0° | 179.9° |
| C27 | C26 | C28 | H20 | 179.9° | 179.9° |
| C26 | C27 | C29 | H21 | 179.9° | 179.8° |
| C28 | C26 | C27 | C29 | 0.0° | 0.2° |
| C28 | C26 | C27 | H19 | 179.9° | 180.0° |
| C29 | C27 | C26 | H18 | 180.0° | 180.0° |
| C30 | C31 | C32 | O33 | 115.6° | 120.0° |
| C30 | C31 | C32 | H24 | 120.5° | 120.0° |
| C30 | C31 | O33 | H24 | 118.0° | 120.0° |
| C30 | C31 | C32 | O35 | 92.3° | 115.0° |
| C30 | C31 | C32 | O36 | 86.5° | 65.0° |
| C30 | C31 | O33 | C34 | 72.4° | 150.0° |
| C31 | C30 | H22 | H23 | 114.5° | 120.0° |
| C32 | C31 | O33 | H24 | 123.2° | 120.0° |
| C31 | C32 | O35 | O36 | 179.1° | 180.0° |
| C32 | C31 | O33 | C34 | 168.8° | 90.0° |
| C32 | C31 | C30 | H22 | 27.0° | 55.0° |
| C32 | C31 | C30 | H23 | 143.7° | 64.9° |
| C31 | C32 | O36 | H28 | 178.9° | 180.0° |
| O33 | C31 | C32 | O35 | 152.1° | 5.0° |
| O33 | C31 | C32 | O36 | 29.0° | 175.0° |
| O33 | C31 | C30 | H22 | 93.5° | 175.0° |
| O33 | C31 | C30 | H23 | 23.2° | 55.0° |
| C31 | O33 | C34 | H25 | 180.0° | 60.0° |
| C31 | O33 | C34 | H26 | 60.0° | 60.0° |
| C31 | O33 | C34 | H27 | 60.0° | 180.0° |
| O35 | C32 | C31 | H24 | 28.1° | 125.1° |
| O35 | C32 | O36 | H28 | 0.0° | 0.0° |
| O36 | C32 | C31 | H24 | 153.0° | 55.0° |
| C34 | O33 | C31 | H24 | 45.6° | 30.0° |
| O33 | C34 | H25 | H26 | 120.0° | 119.9° |
| O33 | C34 | H25 | H27 | 120.0° | 120.1° |
| O33 | C34 | H26 | H27 | 120.0° | 120.0° |
| H2 | C4 | C6 | H3 | 0.3° | 0.0° |
| H4 | C9 | C10 | H6 | 60.4° | 60.0° |
| H4 | C9 | C10 | H7 | 179.6° | 60.0° |
| H4 | C9 | C10 | H8 | 59.6° | NaN° |
| H5 | C9 | C10 | H6 | 60.4° | 180.0° |
| H5 | C9 | C10 | H7 | 59.6° | 60.0° |
| H5 | C9 | C10 | H8 | 179.6° | 60.0° |
| H6 | C10 | H7 | H8 | 120.0° | 120.0° |
| H9 | C16 | H10 | H11 | 120.0° | 120.0° |
| H12 | C17 | C18 | H14 | 76.8° | 180.0° |
| H12 | C17 | C18 | H15 | 161.6° | 60.0° |
| H13 | C17 | C18 | H14 | 41.3° | 60.1° |
| H13 | C17 | C18 | H15 | 80.3° | 180.0° |
| H16 | C21 | C23 | H17 | 0.8° | 0.0° |
| H18 | C26 | C27 | H19 | 0.0° | 0.2° |
| H18 | C26 | C28 | H20 | 0.1° | 0.3° |
| H19 | C27 | C29 | H21 | 0.1° | 0.1° |
| H22 | C30 | C31 | H24 | 147.5° | 65.0° |
| H23 | C30 | C31 | H24 | 95.9° | 175.1° |
| H25 | C34 | H26 | H27 | 120.0° | 120.0° |
