QV5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F17 | C16 | sing | 1.35Å | 1.36Å | |
| C16 | C15 | doub | 1.38Å | 1.36Å | Aromatic |
| C16 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| CL1 | C18 | sing | 1.74Å | 1.73Å | |
| C18 | C20 | doub | 1.37Å | 1.36Å | Aromatic |
| C14 | N13 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C21 | doub | 1.41Å | 1.38Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| N13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.42Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.41Å | Aromatic |
| C21 | C11 | sing | 1.47Å | 1.46Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C22 | sing | 1.46Å | 1.48Å | |
| O24 | C22 | doub | 1.22Å | 1.24Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | N25 | sing | 1.47Å | 1.47Å | |
| C11 | C10 | sing | 1.48Å | 1.50Å | |
| C22 | N23 | sing | 1.35Å | 1.33Å | |
| C10 | C05 | doub | 1.40Å | 1.41Å | Aromatic |
| C27 | N28 | sing | 1.47Å | 1.49Å | |
| C07 | N25 | sing | 1.40Å | 1.41Å | |
| C07 | C06 | doub | 1.39Å | 1.41Å | Aromatic |
| N25 | C30 | sing | 1.47Å | 1.48Å | |
| N28 | C29 | sing | 1.47Å | 1.47Å | |
| C30 | C29 | sing | 1.53Å | 1.51Å | |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | O04 | sing | 1.36Å | 1.39Å | |
| O04 | C02 | sing | 1.43Å | 1.45Å | |
| C02 | C01 | sing | 1.53Å | 1.51Å | |
| C02 | C03 | sing | 1.53Å | 1.51Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C26 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.08Å | 1.08Å | |
| C08 | H13 | sing | 1.08Å | 1.08Å | |
| C09 | H14 | sing | 1.08Å | 1.08Å | |
| N13 | H15 | sing | 0.97Å | 1.00Å | |
| N23 | H16 | sing | 0.97Å | 1.00Å | |
| N23 | H17 | sing | 0.97Å | 1.00Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| N28 | H20 | sing | 1.01Å | 1.00Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F17 | C16 | C15 | 119.6° | 119.7° |
| F17 | C16 | C18 | 118.9° | 119.7° |
| C15 | C16 | C18 | 121.5° | 120.6° |
| C16 | C15 | C14 | 118.2° | 119.8° |
| C16 | C15 | H1 | 120.9° | 120.1° |
| C16 | C18 | CL1 | 120.7° | 119.8° |
| C16 | C18 | C20 | 120.3° | 120.5° |
| C15 | C14 | N13 | 130.2° | 132.7° |
| C15 | C14 | C21 | 121.7° | 119.2° |
| C14 | C15 | H1 | 120.9° | 120.1° |
| CL1 | C18 | C20 | 118.8° | 119.7° |
| C18 | C20 | C21 | 119.1° | 119.8° |
| C18 | C20 | H2 | 120.5° | 120.1° |
| N13 | C14 | C21 | 108.1° | 108.1° |
| C14 | N13 | C12 | 110.3° | 110.0° |
| C14 | N13 | H15 | 124.8° | 125.0° |
| C14 | C21 | C20 | 119.1° | 120.0° |
| C14 | C21 | C11 | 106.8° | 106.5° |
| C08 | C09 | C10 | 121.2° | 120.0° |
| C09 | C08 | C07 | 120.8° | 120.2° |
| C09 | C08 | H13 | 119.6° | 119.9° |
| C08 | C09 | H14 | 119.4° | 120.0° |
| C09 | C10 | C11 | 118.6° | 120.1° |
| C09 | C10 | C05 | 118.2° | 119.8° |
| C10 | C09 | H14 | 119.4° | 120.0° |
| N13 | C12 | C11 | 107.3° | 109.0° |
| N13 | C12 | C22 | 119.7° | 125.5° |
| C12 | N13 | H15 | 124.8° | 125.0° |
| C20 | C21 | C11 | 134.2° | 133.4° |
| C21 | C20 | H2 | 120.4° | 120.1° |
| C08 | C07 | N25 | 121.0° | 119.9° |
| C08 | C07 | C06 | 118.2° | 120.2° |
| C07 | C08 | H13 | 119.6° | 120.0° |
| C21 | C11 | C12 | 107.3° | 106.4° |
| C21 | C11 | C10 | 121.7° | 126.8° |
| C11 | C12 | C22 | 132.8° | 125.5° |
| C12 | C11 | C10 | 129.6° | 126.8° |
| C12 | C22 | O24 | 119.7° | 120.0° |
| C12 | C22 | N23 | 116.8° | 120.0° |
| O24 | C22 | N23 | 123.4° | 120.0° |
| C27 | C26 | N25 | 111.0° | 109.3° |
| C26 | C27 | N28 | 110.2° | 109.4° |
| C27 | C26 | H3 | 109.1° | 109.5° |
| C27 | C26 | H4 | 109.1° | 109.5° |
| C26 | C27 | H18 | 109.3° | 109.5° |
| C26 | C27 | H19 | 109.3° | 109.5° |
| C26 | N25 | C07 | 119.2° | 111.0° |
| C26 | N25 | C30 | 113.0° | 110.9° |
| N25 | C26 | H3 | 109.1° | 109.5° |
| N25 | C26 | H4 | 109.1° | 109.5° |
| C11 | C10 | C05 | 123.2° | 120.1° |
| C22 | N23 | H16 | 120.0° | 120.0° |
| C22 | N23 | H17 | 120.0° | 119.9° |
| C10 | C05 | C06 | 120.8° | 119.8° |
| C10 | C05 | O04 | 115.4° | 120.1° |
| C27 | N28 | C29 | 111.0° | 110.8° |
| N28 | C27 | H18 | 109.3° | 109.5° |
| N28 | C27 | H19 | 109.3° | 109.5° |
| C27 | N28 | H20 | 109.1° | 111.0° |
| N25 | C07 | C06 | 120.8° | 119.9° |
| C07 | N25 | C30 | 117.1° | 111.0° |
| C07 | C06 | C05 | 120.7° | 120.0° |
| C07 | C06 | H12 | 119.7° | 120.0° |
| N25 | C30 | C29 | 111.1° | 109.3° |
| N25 | C30 | H24 | 109.1° | 109.5° |
| N25 | C30 | H25 | 109.1° | 109.5° |
| N28 | C29 | C30 | 109.5° | 109.4° |
| C29 | N28 | H20 | 109.1° | 111.0° |
| N28 | C29 | H22 | 109.5° | 109.6° |
| N28 | C29 | H23 | 109.5° | 109.5° |
| C30 | C29 | H22 | 109.5° | 109.5° |
| C30 | C29 | H23 | 109.5° | 109.5° |
| C29 | C30 | H24 | 109.1° | 109.5° |
| C29 | C30 | H25 | 109.1° | 109.5° |
| C06 | C05 | O04 | 123.8° | 120.1° |
| C05 | C06 | H12 | 119.6° | 120.0° |
| C05 | O04 | C02 | 121.3° | 117.0° |
| O04 | C02 | C01 | 110.8° | 109.5° |
| O04 | C02 | C03 | 104.8° | 109.4° |
| O04 | C02 | H8 | 110.1° | 109.4° |
| C01 | C02 | C03 | 112.3° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.4° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C01 | C02 | H8 | 109.3° | 109.5° |
| C03 | C02 | H8 | 109.4° | 109.5° |
| C02 | C03 | H9 | 109.5° | 109.4° |
| C02 | C03 | H10 | 109.5° | 109.4° |
| C02 | C03 | H11 | 109.5° | 109.5° |
| H3 | C26 | H4 | 109.5° | 109.6° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H7 | 109.4° | 109.5° |
| H9 | C03 | H10 | 109.5° | 109.5° |
| H9 | C03 | H11 | 109.4° | 109.4° |
| H10 | C03 | H11 | 109.4° | 109.5° |
| H16 | N23 | H17 | 120.0° | 120.0° |
| H18 | C27 | H19 | 109.5° | 109.5° |
| H22 | C29 | H23 | 109.4° | 109.5° |
| H24 | C30 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F17 | C16 | C15 | C18 | 178.5° | 179.9° |
| F17 | C16 | C15 | C14 | 178.9° | 180.0° |
| F17 | C16 | C18 | CL1 | 3.5° | 0.1° |
| F17 | C16 | C18 | C20 | 178.9° | 179.9° |
| F17 | C16 | C15 | H1 | 1.2° | 0.4° |
| C16 | C15 | C14 | H1 | 180.0° | 179.7° |
| C15 | C16 | C18 | CL1 | 178.0° | 180.0° |
| C15 | C16 | C18 | C20 | 2.6° | 0.0° |
| C16 | C15 | C14 | N13 | 177.6° | 179.7° |
| C16 | C15 | C14 | C21 | 1.3° | 0.4° |
| C18 | C16 | C15 | C14 | 2.6° | 0.1° |
| C16 | C18 | CL1 | C20 | 175.5° | 180.0° |
| C16 | C18 | C20 | C21 | 1.2° | 0.3° |
| C18 | C16 | C15 | H1 | 177.4° | 179.7° |
| C16 | C18 | C20 | H2 | 178.8° | 179.8° |
| C15 | C14 | N13 | C21 | 179.1° | 180.0° |
| C15 | C14 | N13 | C12 | 178.2° | 179.0° |
| C15 | C14 | C21 | C20 | 0.0° | 0.6° |
| C15 | C14 | C21 | C11 | 179.1° | 179.4° |
| C15 | C14 | N13 | H15 | 1.9° | 0.0° |
| CL1 | C18 | C20 | C21 | 176.7° | 179.7° |
| CL1 | C18 | C20 | H2 | 3.3° | 0.2° |
| C18 | C20 | C21 | C14 | 0.1° | 0.6° |
| C18 | C20 | C21 | H2 | 180.0° | 179.5° |
| C18 | C20 | C21 | C11 | 178.7° | 179.5° |
| C14 | N13 | C12 | H15 | 180.0° | 179.1° |
| N13 | C14 | C21 | C20 | 179.2° | 179.4° |
| N13 | C14 | C21 | C11 | 0.1° | 0.5° |
| C14 | N13 | C12 | C11 | 4.6° | 1.0° |
| C14 | N13 | C12 | C22 | 179.3° | 179.6° |
| N13 | C14 | C15 | H1 | 2.4° | 0.0° |
| C21 | C14 | N13 | C12 | 2.8° | 0.9° |
| C14 | C21 | C20 | C11 | 178.8° | 179.9° |
| C14 | C21 | C11 | C12 | 2.9° | 0.1° |
| C14 | C21 | C11 | C10 | 170.8° | 179.9° |
| C21 | C14 | C15 | H1 | 178.7° | 180.0° |
| C14 | C21 | C20 | H2 | 179.9° | 179.9° |
| C21 | C14 | N13 | H15 | 177.2° | 180.0° |
| C08 | C09 | C10 | H14 | 180.0° | 180.0° |
| C09 | C08 | C07 | H13 | 180.0° | 179.9° |
| C08 | C09 | C10 | C11 | 179.4° | 179.7° |
| C08 | C09 | C10 | C05 | 0.3° | 0.0° |
| C09 | C08 | C07 | N25 | 178.3° | 180.0° |
| C09 | C08 | C07 | C06 | 0.7° | 0.0° |
| C10 | C09 | C08 | C07 | 1.1° | 0.0° |
| C09 | C10 | C11 | C21 | 61.8° | 89.7° |
| C09 | C10 | C11 | C12 | 103.2° | 90.3° |
| C09 | C10 | C11 | C05 | 179.1° | 179.7° |
| C09 | C10 | C05 | C06 | 2.1° | 0.0° |
| C09 | C10 | C05 | O04 | 178.3° | 180.0° |
| C10 | C09 | C08 | H13 | 178.9° | 179.9° |
| N13 | C12 | C11 | C21 | 4.5° | 0.6° |
| N13 | C12 | C11 | C22 | 173.8° | 179.4° |
| N13 | C12 | C22 | O24 | 8.4° | 179.3° |
| N13 | C12 | C11 | C10 | 171.1° | 179.4° |
| N13 | C12 | C22 | N23 | 170.1° | 0.6° |
| C20 | C21 | C11 | C12 | 178.2° | 180.0° |
| C20 | C21 | C11 | C10 | 10.3° | 0.0° |
| C08 | C07 | N25 | C26 | 19.7° | 0.0° |
| C08 | C07 | N25 | C06 | 179.0° | 180.0° |
| C08 | C07 | N25 | C30 | 122.4° | 123.8° |
| C08 | C07 | C06 | C05 | 1.1° | 0.0° |
| C08 | C07 | C06 | H12 | 178.9° | 180.0° |
| C07 | C08 | C09 | H14 | 178.9° | 179.9° |
| C21 | C11 | C12 | C10 | 166.6° | 180.0° |
| C21 | C11 | C12 | C22 | 178.3° | 180.0° |
| C21 | C11 | C10 | C05 | 117.3° | 90.0° |
| C11 | C21 | C20 | H2 | 1.3° | 0.0° |
| C11 | C12 | C22 | O24 | 178.4° | 0.1° |
| C11 | C12 | C22 | N23 | 3.1° | 180.0° |
| C12 | C11 | C10 | C05 | 77.7° | 90.0° |
| C11 | C12 | N13 | H15 | 175.4° | 180.0° |
| C12 | C22 | O24 | N23 | 178.4° | 179.9° |
| C22 | C12 | C11 | C10 | 15.1° | 0.1° |
| C22 | C12 | N13 | H15 | 0.6° | 0.6° |
| C12 | C22 | N23 | H16 | 178.4° | 0.1° |
| C12 | C22 | N23 | H17 | 1.5° | 180.0° |
| O24 | C22 | N23 | H16 | 0.0° | 179.9° |
| O24 | C22 | N23 | H17 | 180.0° | 0.1° |
| C27 | C26 | N25 | H3 | 120.2° | 119.9° |
| C27 | C26 | N25 | H4 | 120.2° | 119.9° |
| C26 | C27 | N28 | H18 | 120.1° | 120.0° |
| C26 | C27 | N28 | H19 | 120.1° | 119.9° |
| C27 | C26 | N25 | C07 | 163.9° | 176.8° |
| C27 | C26 | N25 | C30 | 52.6° | 59.3° |
| C26 | C27 | N28 | C29 | 58.4° | 59.4° |
| C27 | C26 | H3 | H4 | 119.3° | 120.1° |
| C26 | C27 | H18 | H19 | 119.6° | 120.0° |
| C26 | C27 | N28 | H20 | 178.6° | 176.8° |
| N25 | C26 | C27 | N28 | 53.9° | 58.4° |
| C26 | N25 | C07 | C30 | 142.1° | 123.8° |
| C26 | N25 | C07 | C06 | 161.3° | 180.0° |
| C26 | N25 | C30 | C29 | 54.4° | 59.3° |
| N25 | C26 | H3 | H4 | 119.3° | 120.1° |
| N25 | C26 | C27 | H18 | 66.3° | 61.6° |
| N25 | C26 | C27 | H19 | 174.0° | 178.4° |
| C26 | N25 | C30 | H24 | 65.8° | 60.6° |
| C26 | N25 | C30 | H25 | 174.6° | 179.3° |
| C11 | C10 | C05 | C06 | 178.8° | 179.7° |
| C11 | C10 | C05 | O04 | 0.8° | 0.3° |
| C11 | C10 | C09 | H14 | 0.6° | 0.3° |
| C22 | N23 | H16 | H17 | 180.0° | 180.0° |
| C10 | C05 | C06 | C07 | 2.5° | 0.0° |
| C10 | C05 | C06 | O04 | 179.6° | 180.0° |
| C10 | C05 | O04 | C02 | 171.6° | 174.6° |
| C10 | C05 | C06 | H12 | 177.5° | 180.0° |
| C05 | C10 | C09 | H14 | 179.7° | 179.9° |
| C27 | N28 | C29 | H20 | 120.3° | 123.8° |
| C27 | N28 | C29 | C30 | 59.8° | 59.3° |
| N28 | C27 | C26 | H3 | 66.4° | 178.4° |
| N28 | C27 | C26 | H4 | 174.1° | 61.5° |
| N28 | C27 | H18 | H19 | 119.7° | 120.0° |
| C27 | N28 | C29 | H22 | 60.3° | 60.6° |
| C27 | N28 | C29 | H23 | 179.8° | 179.3° |
| C07 | N25 | C30 | C29 | 161.2° | 176.8° |
| N25 | C07 | C06 | C05 | 179.9° | 180.0° |
| C07 | N25 | C26 | H3 | 75.9° | 56.9° |
| C07 | N25 | C26 | H4 | 43.6° | 63.3° |
| N25 | C07 | C06 | H12 | 0.1° | 0.0° |
| N25 | C07 | C08 | H13 | 1.7° | 0.1° |
| C07 | N25 | C30 | H24 | 78.5° | 63.2° |
| C07 | N25 | C30 | H25 | 41.0° | 56.8° |
| C06 | C07 | N25 | C30 | 56.6° | 56.2° |
| C07 | C06 | C05 | H12 | 180.0° | 180.0° |
| C07 | C06 | C05 | O04 | 177.9° | 180.0° |
| C06 | C07 | C08 | H13 | 179.3° | 179.9° |
| N25 | C30 | C29 | N28 | 57.0° | 58.4° |
| N25 | C30 | C29 | H24 | 120.3° | 119.9° |
| N25 | C30 | C29 | H25 | 120.3° | 120.0° |
| C30 | N25 | C26 | H3 | 67.6° | 179.3° |
| C30 | N25 | C26 | H4 | 172.9° | 60.6° |
| N25 | C30 | C29 | H22 | 63.0° | 61.6° |
| N25 | C30 | C29 | H23 | 177.0° | 178.4° |
| N25 | C30 | H24 | H25 | 119.3° | 120.1° |
| N28 | C29 | C30 | H22 | 120.0° | 120.0° |
| N28 | C29 | C30 | H23 | 120.0° | 120.0° |
| C29 | N28 | C27 | H18 | 61.7° | 60.7° |
| C29 | N28 | C27 | H19 | 178.5° | 179.3° |
| N28 | C29 | H22 | H23 | 120.0° | 120.1° |
| N28 | C29 | C30 | H24 | 63.3° | 61.5° |
| N28 | C29 | C30 | H25 | 177.2° | 178.4° |
| C30 | C29 | N28 | H20 | 180.0° | 176.8° |
| C30 | C29 | H22 | H23 | 120.0° | 120.0° |
| C29 | C30 | H24 | H25 | 119.2° | 120.1° |
| C06 | C05 | O04 | C02 | 8.8° | 5.4° |
| C05 | O04 | C02 | C01 | 77.3° | 155.2° |
| C05 | O04 | C02 | C03 | 161.3° | 84.8° |
| C05 | O04 | C02 | H8 | 43.8° | 35.2° |
| O04 | C05 | C06 | H12 | 2.1° | 0.0° |
| O04 | C02 | C01 | C03 | 116.9° | 120.0° |
| O04 | C02 | C01 | H8 | 121.5° | 120.0° |
| O04 | C02 | C03 | H8 | 118.0° | 120.0° |
| O04 | C02 | C01 | H5 | 180.0° | 180.0° |
| O04 | C02 | C01 | H6 | 60.0° | 60.0° |
| O04 | C02 | C01 | H7 | 60.0° | 60.0° |
| O04 | C02 | C03 | H9 | 180.0° | 179.9° |
| O04 | C02 | C03 | H10 | 60.0° | 60.0° |
| O04 | C02 | C03 | H11 | 60.0° | 60.0° |
| C01 | C02 | C03 | H8 | 121.6° | 120.1° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C01 | C02 | C03 | H9 | 59.5° | 60.1° |
| C01 | C02 | C03 | H10 | 179.6° | 60.0° |
| C01 | C02 | C03 | H11 | 60.4° | 180.0° |
| C03 | C02 | C01 | H5 | 63.1° | 60.0° |
| C03 | C02 | C01 | H6 | 56.9° | 180.0° |
| C03 | C02 | C01 | H7 | 176.9° | 60.0° |
| C02 | C03 | H9 | H10 | 120.0° | 120.0° |
| C02 | C03 | H9 | H11 | 120.0° | 120.0° |
| C02 | C03 | H10 | H11 | 120.0° | 120.0° |
| H3 | C26 | C27 | H18 | 173.5° | 58.4° |
| H3 | C26 | C27 | H19 | 53.7° | 61.7° |
| H4 | C26 | C27 | H18 | 54.0° | 178.5° |
| H4 | C26 | C27 | H19 | 65.8° | 58.4° |
| H5 | C01 | H6 | H7 | 120.0° | 120.0° |
| H5 | C01 | C02 | H8 | 58.5° | 60.0° |
| H6 | C01 | C02 | H8 | 178.5° | 59.9° |
| H7 | C01 | C02 | H8 | 61.5° | 179.9° |
| H8 | C02 | C03 | H9 | 62.0° | 60.0° |
| H8 | C02 | C03 | H10 | 58.0° | 180.0° |
| H8 | C02 | C03 | H11 | 178.0° | 59.9° |
| H9 | C03 | H10 | H11 | 119.9° | 120.0° |
| H13 | C08 | C09 | H14 | 1.1° | 0.1° |
| H18 | C27 | N28 | H20 | 58.5° | 63.2° |
| H19 | C27 | N28 | H20 | 61.2° | 56.9° |
| H20 | N28 | C29 | H22 | 60.0° | 63.2° |
| H20 | N28 | C29 | H23 | 59.9° | 56.9° |
| H22 | C29 | C30 | H24 | 176.7° | 178.4° |
| H22 | C29 | C30 | H25 | 57.2° | 58.4° |
| H23 | C29 | C30 | H24 | 56.7° | 58.5° |
| H23 | C29 | C30 | H25 | 62.8° | 61.6° |
