7I0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N31 | C32 | sing | 1.34Å | 1.33Å | Aromatic |
| N31 | N30 | sing | 1.40Å | 1.36Å | Aromatic |
| C32 | C28 | doub | 1.38Å | 1.34Å | Aromatic |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| N30 | C27 | doub | 1.32Å | 1.35Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.55Å | |
| C28 | C27 | sing | 1.47Å | 1.35Å | Aromatic |
| C28 | C29 | sing | 1.41Å | 1.37Å | Aromatic |
| C27 | C26 | sing | 1.41Å | 1.34Å | Aromatic |
| C29 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | doub | 1.35Å | 1.40Å | Aromatic |
| C7 | C1 | sing | 1.47Å | 1.40Å | |
| C7 | C10 | doub | 1.36Å | 1.53Å | |
| C24 | C25 | sing | 1.41Å | 1.41Å | Aromatic |
| C24 | C10 | sing | 1.48Å | 1.41Å | |
| C1 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C14 | sing | 1.48Å | 1.41Å | |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| CL12 | C2 | sing | 1.74Å | 1.73Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.36Å | Aromatic |
| C4 | F11 | sing | 1.35Å | 1.32Å | |
| C14 | C19 | doub | 1.40Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.36Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.37Å | 1.38Å | Aromatic |
| C18 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C20 | sing | 1.47Å | 1.38Å | |
| C20 | C21 | doub | 1.35Å | 1.50Å | |
| C21 | C22 | sing | 1.42Å | 1.51Å | |
| C22 | O24 | doub | 1.22Å | 1.25Å | |
| C22 | O23 | sing | 1.35Å | 1.24Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C26 | H8 | sing | 1.08Å | 1.08Å | |
| O23 | H9 | sing | 0.97Å | 0.95Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.08Å | 1.08Å | |
| C29 | H17 | sing | 1.08Å | 1.08Å | |
| C32 | H18 | sing | 1.08Å | 1.08Å | |
| N31 | H19 | sing | 0.97Å | 1.00Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | N31 | N30 | 109.3° | 109.9° |
| N31 | C32 | C28 | 108.3° | 107.9° |
| N31 | C32 | H18 | 125.8° | 126.1° |
| C32 | N31 | H19 | 125.4° | 125.0° |
| N31 | N30 | C27 | 105.7° | 109.0° |
| N30 | N31 | H19 | 125.3° | 125.0° |
| C32 | C28 | C27 | 107.3° | 106.4° |
| C32 | C28 | C29 | 131.1° | 134.6° |
| C28 | C32 | H18 | 125.9° | 126.1° |
| C9 | C8 | C7 | 112.6° | 109.5° |
| C9 | C8 | H3 | 108.7° | 109.5° |
| C9 | C8 | H4 | 108.7° | 109.5° |
| C8 | C9 | H13 | 109.5° | 109.4° |
| C8 | C9 | H14 | 109.5° | 109.5° |
| C8 | C9 | H15 | 109.5° | 109.4° |
| N30 | C27 | C28 | 109.5° | 106.7° |
| N30 | C27 | C26 | 130.5° | 134.4° |
| C8 | C7 | C1 | 117.4° | 120.0° |
| C8 | C7 | C10 | 120.0° | 120.0° |
| C7 | C8 | H3 | 108.7° | 109.5° |
| C7 | C8 | H4 | 108.7° | 109.5° |
| C27 | C28 | C29 | 121.6° | 118.9° |
| C28 | C27 | C26 | 120.0° | 118.9° |
| C28 | C29 | C24 | 121.1° | 119.3° |
| C28 | C29 | H17 | 119.5° | 120.4° |
| C27 | C26 | C25 | 120.2° | 119.9° |
| C27 | C26 | H8 | 119.9° | 120.1° |
| C29 | C24 | C25 | 115.9° | 121.3° |
| C29 | C24 | C10 | 123.0° | 119.4° |
| C24 | C29 | H17 | 119.5° | 120.3° |
| C26 | C25 | C24 | 121.0° | 121.7° |
| C25 | C26 | H8 | 119.9° | 120.0° |
| C26 | C25 | H20 | 119.5° | 119.1° |
| C1 | C7 | C10 | 121.9° | 120.0° |
| C7 | C1 | C6 | 121.2° | 120.2° |
| C7 | C1 | C2 | 122.6° | 120.2° |
| C7 | C10 | C24 | 122.6° | 120.0° |
| C7 | C10 | C14 | 121.8° | 120.0° |
| C25 | C24 | C10 | 120.8° | 119.3° |
| C24 | C25 | H20 | 119.5° | 119.2° |
| C24 | C10 | C14 | 115.0° | 120.0° |
| C6 | C1 | C2 | 116.1° | 119.7° |
| C1 | C6 | C5 | 119.6° | 119.9° |
| C1 | C6 | H2 | 120.2° | 120.0° |
| C1 | C2 | CL12 | 124.4° | 120.1° |
| C1 | C2 | C3 | 123.3° | 119.8° |
| C10 | C14 | C19 | 121.1° | 120.0° |
| C10 | C14 | C15 | 120.0° | 119.9° |
| C6 | C5 | C4 | 122.9° | 120.2° |
| C6 | C5 | H1 | 118.6° | 119.9° |
| C5 | C6 | H2 | 120.2° | 120.1° |
| CL12 | C2 | C3 | 112.3° | 120.1° |
| C2 | C3 | C4 | 119.6° | 120.1° |
| C2 | C3 | H16 | 120.2° | 119.9° |
| C5 | C4 | C3 | 118.5° | 120.4° |
| C5 | C4 | F11 | 121.2° | 119.8° |
| C4 | C5 | H1 | 118.5° | 119.9° |
| C3 | C4 | F11 | 120.2° | 119.8° |
| C4 | C3 | H16 | 120.2° | 120.0° |
| C19 | C14 | C15 | 118.7° | 120.1° |
| C14 | C19 | C18 | 120.7° | 120.1° |
| C14 | C19 | H11 | 119.7° | 120.0° |
| C14 | C15 | C16 | 122.2° | 120.0° |
| C14 | C15 | H5 | 118.9° | 120.0° |
| C19 | C18 | C17 | 119.8° | 120.0° |
| C19 | C18 | H10 | 120.1° | 120.0° |
| C18 | C19 | H11 | 119.6° | 120.0° |
| C15 | C16 | C17 | 119.1° | 120.0° |
| C16 | C15 | H5 | 118.9° | 120.0° |
| C15 | C16 | H12 | 120.5° | 120.0° |
| C18 | C17 | C16 | 119.6° | 119.9° |
| C18 | C17 | C20 | 117.5° | 120.0° |
| C17 | C18 | H10 | 120.1° | 120.0° |
| C16 | C17 | C20 | 122.8° | 120.0° |
| C17 | C16 | H12 | 120.5° | 120.0° |
| C17 | C20 | C21 | 123.1° | 120.0° |
| C17 | C20 | H6 | 118.4° | 120.0° |
| C20 | C21 | C22 | 117.3° | 120.0° |
| C21 | C20 | H6 | 118.5° | 120.0° |
| C20 | C21 | H7 | 121.4° | 120.0° |
| C21 | C22 | O24 | 120.6° | 120.0° |
| C21 | C22 | O23 | 119.6° | 120.0° |
| C22 | C21 | H7 | 121.4° | 120.0° |
| O24 | C22 | O23 | 119.8° | 120.0° |
| C22 | O23 | H9 | 109.5° | 114.0° |
| H3 | C8 | H4 | 109.5° | 109.5° |
| H13 | C9 | H14 | 109.5° | 109.5° |
| H13 | C9 | H15 | 109.4° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | N31 | N30 | H19 | 180.0° | 180.0° |
| N31 | C32 | C28 | H18 | 180.0° | 179.9° |
| C32 | N31 | N30 | C27 | 0.5° | 0.0° |
| N31 | C32 | C28 | C27 | 0.5° | 0.0° |
| N31 | C32 | C28 | C29 | 178.1° | 179.0° |
| N30 | N31 | C32 | C28 | 0.7° | 0.0° |
| N31 | N30 | C27 | C28 | 0.2° | 0.0° |
| N31 | N30 | C27 | C26 | 178.5° | 179.9° |
| N30 | N31 | C32 | H18 | 179.3° | 179.9° |
| C32 | C28 | C27 | N30 | 0.2° | 0.0° |
| C32 | C28 | C27 | C29 | 178.8° | 179.2° |
| C32 | C28 | C27 | C26 | 178.3° | 180.0° |
| C32 | C28 | C29 | C24 | 177.1° | 179.4° |
| C32 | C28 | C29 | H17 | 2.9° | 0.5° |
| C28 | C32 | N31 | H19 | 179.3° | 180.0° |
| C9 | C8 | C7 | H3 | 120.5° | 120.0° |
| C9 | C8 | C7 | H4 | 120.5° | 120.0° |
| C9 | C8 | C7 | C1 | 46.4° | 86.1° |
| C9 | C8 | C7 | C10 | 124.6° | 93.9° |
| C9 | C8 | H3 | H4 | 118.6° | 120.0° |
| C8 | C9 | H13 | H14 | 120.0° | 120.0° |
| C8 | C9 | H13 | H15 | 120.0° | 119.9° |
| C8 | C9 | H14 | H15 | 120.0° | 120.0° |
| N30 | C27 | C28 | C26 | 178.5° | 179.9° |
| N30 | C27 | C28 | C29 | 178.6° | 179.2° |
| N30 | C27 | C26 | C25 | 179.2° | 179.4° |
| N30 | C27 | C26 | H8 | 0.8° | 0.6° |
| C27 | N30 | N31 | H19 | 179.5° | 180.0° |
| C8 | C7 | C1 | C10 | 170.8° | 179.9° |
| C8 | C7 | C10 | C24 | 3.8° | 5.0° |
| C8 | C7 | C1 | C6 | 72.6° | 75.0° |
| C8 | C7 | C1 | C2 | 103.7° | 105.0° |
| C8 | C7 | C10 | C14 | 174.9° | 175.0° |
| C7 | C8 | H3 | H4 | 118.6° | 120.0° |
| C7 | C8 | C9 | H13 | 180.0° | 54.8° |
| C7 | C8 | C9 | H14 | 60.0° | 65.2° |
| C7 | C8 | C9 | H15 | 60.0° | 174.8° |
| C27 | C28 | C29 | C24 | 4.4° | 0.5° |
| C28 | C27 | C26 | C25 | 2.6° | 0.5° |
| C28 | C27 | C26 | H8 | 177.4° | 179.5° |
| C27 | C28 | C29 | H17 | 175.6° | 179.5° |
| C27 | C28 | C32 | H18 | 179.4° | 180.0° |
| C29 | C28 | C27 | C26 | 2.9° | 0.7° |
| C28 | C29 | C24 | H17 | 180.0° | 179.9° |
| C28 | C29 | C24 | C25 | 5.3° | 0.0° |
| C28 | C29 | C24 | C10 | 178.5° | 179.7° |
| C29 | C28 | C32 | H18 | 1.9° | 0.9° |
| C27 | C26 | C25 | H8 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 3.9° | 0.0° |
| C27 | C26 | C25 | H20 | 176.1° | 180.0° |
| C29 | C24 | C25 | C26 | 5.1° | 0.3° |
| C29 | C24 | C10 | C7 | 64.4° | 110.4° |
| C29 | C24 | C25 | C10 | 173.4° | 179.7° |
| C29 | C24 | C10 | C14 | 124.0° | 69.6° |
| C29 | C24 | C25 | H20 | 174.9° | 179.7° |
| C26 | C25 | C24 | H20 | 180.0° | 180.0° |
| C26 | C25 | C24 | C10 | 178.5° | 180.0° |
| C1 | C7 | C10 | C24 | 174.4° | 174.9° |
| C7 | C1 | C6 | C2 | 176.5° | 180.0° |
| C1 | C7 | C10 | C14 | 14.6° | 5.1° |
| C7 | C1 | C6 | C5 | 177.9° | 180.0° |
| C7 | C1 | C2 | CL12 | 3.4° | 0.0° |
| C7 | C1 | C2 | C3 | 177.3° | 179.7° |
| C7 | C1 | C6 | H2 | 2.1° | 0.1° |
| C1 | C7 | C8 | H3 | 74.1° | 33.9° |
| C1 | C7 | C8 | H4 | 166.9° | 153.9° |
| C7 | C10 | C24 | C25 | 122.7° | 69.3° |
| C7 | C10 | C24 | C14 | 171.6° | 180.0° |
| C10 | C7 | C1 | C6 | 116.6° | 105.0° |
| C10 | C7 | C1 | C2 | 67.1° | 74.9° |
| C7 | C10 | C14 | C19 | 138.2° | 115.0° |
| C7 | C10 | C14 | C15 | 47.4° | 64.9° |
| C10 | C7 | C8 | H3 | 114.9° | 146.1° |
| C10 | C7 | C8 | H4 | 4.1° | 26.1° |
| C25 | C24 | C10 | C14 | 48.9° | 110.6° |
| C24 | C25 | C26 | H8 | 176.1° | 180.0° |
| C25 | C24 | C29 | H17 | 174.7° | 180.0° |
| C24 | C10 | C14 | C19 | 50.1° | 65.0° |
| C24 | C10 | C14 | C15 | 124.2° | 115.1° |
| C10 | C24 | C29 | H17 | 1.5° | 0.3° |
| C10 | C24 | C25 | H20 | 1.5° | 0.0° |
| C1 | C6 | C5 | H2 | 180.0° | 180.0° |
| C6 | C1 | C2 | CL12 | 179.8° | 180.0° |
| C6 | C1 | C2 | C3 | 0.9° | 0.2° |
| C1 | C6 | C5 | C4 | 1.1° | 0.0° |
| C1 | C6 | C5 | H1 | 178.9° | 180.0° |
| C2 | C1 | C6 | C5 | 1.5° | 0.0° |
| C1 | C2 | CL12 | C3 | 179.4° | 179.7° |
| C1 | C2 | C3 | C4 | 0.2° | 0.5° |
| C2 | C1 | C6 | H2 | 178.6° | 180.0° |
| C1 | C2 | C3 | H16 | 179.8° | 180.0° |
| C10 | C14 | C19 | C15 | 174.4° | 179.9° |
| C10 | C14 | C19 | C18 | 177.7° | 179.5° |
| C10 | C14 | C15 | C16 | 177.4° | 179.9° |
| C10 | C14 | C15 | H5 | 2.6° | 0.2° |
| C10 | C14 | C19 | H11 | 2.3° | 0.4° |
| C6 | C5 | C4 | H1 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.3° |
| C6 | C5 | C4 | F11 | 179.0° | 180.0° |
| CL12 | C2 | C3 | C4 | 179.2° | 179.7° |
| CL12 | C2 | C3 | H16 | 0.9° | 0.3° |
| C2 | C3 | C4 | C5 | 0.7° | 0.5° |
| C2 | C3 | C4 | H16 | 180.0° | 179.5° |
| C2 | C3 | C4 | F11 | 178.4° | 179.7° |
| C5 | C4 | C3 | F11 | 179.1° | 179.8° |
| C4 | C5 | C6 | H2 | 179.0° | 180.0° |
| C5 | C4 | C3 | H16 | 179.3° | 180.0° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| F11 | C4 | C5 | H1 | 1.0° | 0.0° |
| F11 | C4 | C3 | H16 | 1.6° | 0.2° |
| C14 | C19 | C18 | H11 | 180.0° | 179.1° |
| C19 | C14 | C15 | C16 | 2.9° | 0.0° |
| C14 | C19 | C18 | C17 | 1.0° | 0.9° |
| C19 | C14 | C15 | H5 | 177.1° | 179.7° |
| C14 | C19 | C18 | H10 | 179.0° | 179.7° |
| C15 | C14 | C19 | C18 | 3.3° | 0.6° |
| C14 | C15 | C16 | H5 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 0.3° | 0.3° |
| C15 | C14 | C19 | H11 | 176.7° | 179.7° |
| C14 | C15 | C16 | H12 | 179.7° | 179.8° |
| C19 | C18 | C17 | H10 | 180.0° | 179.4° |
| C19 | C18 | C17 | C16 | 1.6° | 0.6° |
| C19 | C18 | C17 | C20 | 176.9° | 179.4° |
| C15 | C16 | C17 | C18 | 2.0° | 0.0° |
| C15 | C16 | C17 | H12 | 180.0° | 179.9° |
| C15 | C16 | C17 | C20 | 177.0° | 180.0° |
| C18 | C17 | C16 | C20 | 175.0° | 180.0° |
| C18 | C17 | C20 | C21 | 166.9° | 180.0° |
| C18 | C17 | C20 | H6 | 13.1° | 0.0° |
| C17 | C18 | C19 | H11 | 178.9° | 180.0° |
| C18 | C17 | C16 | H12 | 178.0° | 179.9° |
| C16 | C17 | C20 | C21 | 18.1° | 0.0° |
| C17 | C16 | C15 | H5 | 179.7° | 180.0° |
| C16 | C17 | C20 | H6 | 162.0° | 180.0° |
| C16 | C17 | C18 | H10 | 178.3° | 180.0° |
| C17 | C20 | C21 | H6 | 180.0° | 180.0° |
| C17 | C20 | C21 | C22 | 176.1° | 180.0° |
| C17 | C20 | C21 | H7 | 3.9° | 0.0° |
| C20 | C17 | C18 | H10 | 3.1° | 0.0° |
| C20 | C17 | C16 | H12 | 3.0° | 0.1° |
| C20 | C21 | C22 | H7 | 180.0° | 179.9° |
| C20 | C21 | C22 | O24 | 1.1° | 0.0° |
| C20 | C21 | C22 | O23 | 179.0° | 180.0° |
| C21 | C22 | O24 | O23 | 177.8° | 180.0° |
| C22 | C21 | C20 | H6 | 3.9° | 0.0° |
| C21 | C22 | O23 | H9 | 177.9° | 180.0° |
| O24 | C22 | C21 | H7 | 178.9° | 179.9° |
| O24 | C22 | O23 | H9 | 0.0° | 0.0° |
| O23 | C22 | C21 | H7 | 1.0° | 0.0° |
| H1 | C5 | C6 | H2 | 1.1° | 0.0° |
| H3 | C8 | C9 | H13 | 59.5° | 174.8° |
| H3 | C8 | C9 | H14 | 60.5° | 54.8° |
| H3 | C8 | C9 | H15 | 179.5° | 65.3° |
| H4 | C8 | C9 | H13 | 59.5° | 65.2° |
| H4 | C8 | C9 | H14 | 179.6° | 174.8° |
| H4 | C8 | C9 | H15 | 60.4° | 54.7° |
| H5 | C15 | C16 | H12 | 0.3° | 0.1° |
| H6 | C20 | C21 | H7 | 176.1° | 179.9° |
| H8 | C26 | C25 | H20 | 3.9° | 0.0° |
| H10 | C18 | C19 | H11 | 1.0° | 0.6° |
| H13 | C9 | H14 | H15 | 120.0° | 120.0° |
| H18 | C32 | N31 | H19 | 0.7° | 0.1° |
