QOP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | N17 | doub | 1.32Å | 1.32Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| N17 | C16 | sing | 1.32Å | 1.32Å | Aromatic |
| CL32 | C31 | sing | 1.74Å | 1.79Å | |
| CL20 | C19 | sing | 1.74Å | 1.78Å | |
| O30 | C07 | doub | 1.22Å | 1.18Å | |
| C19 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | N15 | sing | 1.39Å | 1.45Å | |
| C16 | C26 | doub | 1.39Å | 1.38Å | Aromatic |
| O27 | C14 | doub | 1.22Å | 1.18Å | |
| N15 | C14 | sing | 1.35Å | 1.46Å | |
| C14 | C13 | sing | 1.47Å | 1.53Å | |
| S28 | C13 | sing | 1.76Å | 1.60Å | Aromatic |
| S28 | C10 | sing | 1.71Å | 1.63Å | Aromatic |
| F24 | C22 | sing | 1.40Å | 1.37Å | |
| C13 | C12 | doub | 1.36Å | 1.42Å | Aromatic |
| C21 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| C07 | C06 | sing | 1.48Å | 1.53Å | |
| C07 | N08 | sing | 1.35Å | 1.45Å | |
| C10 | C09 | sing | 1.51Å | 1.53Å | |
| C10 | N11 | doub | 1.29Å | 1.39Å | Aromatic |
| C09 | N08 | sing | 1.47Å | 1.45Å | |
| C09 | C29 | sing | 1.53Å | 1.52Å | |
| C31 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C31 | C02 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | N11 | sing | 1.31Å | 1.47Å | Aromatic |
| N01 | C02 | sing | 1.39Å | 1.45Å | |
| C06 | N05 | sing | 1.33Å | 1.32Å | Aromatic |
| C22 | F25 | sing | 1.40Å | 1.37Å | |
| C22 | F23 | sing | 1.40Å | 1.36Å | |
| C02 | N03 | doub | 1.33Å | 1.32Å | Aromatic |
| N05 | C04 | doub | 1.32Å | 1.32Å | Aromatic |
| N03 | C04 | sing | 1.32Å | 1.32Å | Aromatic |
| C18 | H1 | sing | 1.08Å | 1.08Å | |
| C26 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C09 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C29 | H6 | sing | 1.09Å | 1.10Å | |
| C29 | H7 | sing | 1.09Å | 1.10Å | |
| C29 | H8 | sing | 1.09Å | 1.10Å | |
| N01 | H9 | sing | 0.97Å | 1.00Å | |
| N01 | H10 | sing | 0.97Å | 1.00Å | |
| N08 | H11 | sing | 0.97Å | 1.00Å | |
| N15 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N17 | C18 | C19 | 119.9° | 120.8° |
| C18 | N17 | C16 | 122.8° | 121.6° |
| N17 | C18 | H1 | 120.0° | 119.6° |
| C18 | C19 | CL20 | 120.9° | 120.3° |
| C18 | C19 | C21 | 119.2° | 119.3° |
| C19 | C18 | H1 | 120.0° | 119.6° |
| N17 | C16 | N15 | 119.8° | 119.7° |
| N17 | C16 | C26 | 120.0° | 120.7° |
| CL32 | C31 | C06 | 122.1° | 120.9° |
| CL32 | C31 | C02 | 119.7° | 121.0° |
| CL20 | C19 | C21 | 119.9° | 120.4° |
| O30 | C07 | C06 | 121.7° | 120.0° |
| O30 | C07 | N08 | 119.9° | 120.0° |
| C19 | C21 | C26 | 118.9° | 118.5° |
| C19 | C21 | C22 | 120.8° | 120.8° |
| N15 | C16 | C26 | 120.2° | 119.7° |
| C16 | N15 | C14 | 122.7° | 120.0° |
| C16 | N15 | H12 | 118.6° | 120.0° |
| C16 | C26 | C21 | 119.2° | 119.1° |
| C16 | C26 | H2 | 120.4° | 120.5° |
| O27 | C14 | N15 | 121.5° | 120.0° |
| O27 | C14 | C13 | 119.7° | 120.0° |
| N15 | C14 | C13 | 118.8° | 120.0° |
| C14 | N15 | H12 | 118.6° | 120.0° |
| C14 | C13 | S28 | 125.9° | 126.2° |
| C14 | C13 | C12 | 124.0° | 126.1° |
| C13 | S28 | C10 | 98.8° | 90.4° |
| S28 | C13 | C12 | 110.2° | 107.7° |
| S28 | C10 | C09 | 126.5° | 124.8° |
| S28 | C10 | N11 | 110.0° | 110.4° |
| F24 | C22 | C21 | 109.9° | 109.4° |
| F24 | C22 | F25 | 109.7° | 109.4° |
| F24 | C22 | F23 | 110.0° | 109.5° |
| C13 | C12 | N11 | 109.9° | 114.2° |
| C13 | C12 | H5 | 125.0° | 122.9° |
| C26 | C21 | C22 | 120.3° | 120.7° |
| C21 | C26 | H2 | 120.4° | 120.5° |
| C21 | C22 | F25 | 109.1° | 109.5° |
| C21 | C22 | F23 | 108.3° | 109.5° |
| C06 | C07 | N08 | 118.5° | 120.0° |
| C07 | C06 | C31 | 122.5° | 120.6° |
| C07 | C06 | N05 | 119.1° | 120.5° |
| C07 | N08 | C09 | 120.8° | 120.0° |
| C07 | N08 | H11 | 119.6° | 120.0° |
| C09 | C10 | N11 | 123.5° | 124.8° |
| C10 | C09 | N08 | 113.2° | 109.4° |
| C10 | C09 | C29 | 108.1° | 109.5° |
| C10 | C09 | H4 | 109.3° | 109.4° |
| C10 | N11 | C12 | 111.1° | 117.3° |
| N08 | C09 | C29 | 106.5° | 109.5° |
| N08 | C09 | H4 | 110.4° | 109.5° |
| C09 | N08 | H11 | 119.6° | 120.0° |
| C29 | C09 | H4 | 109.3° | 109.5° |
| C09 | C29 | H6 | 109.5° | 109.4° |
| C09 | C29 | H7 | 109.4° | 109.5° |
| C09 | C29 | H8 | 109.5° | 109.5° |
| C06 | C31 | C02 | 118.2° | 118.2° |
| C31 | C06 | N05 | 118.4° | 119.0° |
| C31 | C02 | N01 | 120.5° | 120.5° |
| C31 | C02 | N03 | 119.7° | 119.0° |
| N11 | C12 | H5 | 125.0° | 122.9° |
| N01 | C02 | N03 | 119.8° | 120.5° |
| C02 | N01 | H9 | 109.5° | 120.0° |
| C02 | N01 | H10 | 109.4° | 120.0° |
| C06 | N05 | C04 | 121.6° | 120.9° |
| F25 | C22 | F23 | 109.8° | 109.5° |
| C02 | N03 | C04 | 120.4° | 120.9° |
| N05 | C04 | N03 | 121.7° | 122.1° |
| N05 | C04 | H3 | 119.1° | 118.9° |
| N03 | C04 | H3 | 119.2° | 119.0° |
| H6 | C29 | H7 | 109.5° | 109.4° |
| H6 | C29 | H8 | 109.4° | 109.5° |
| H7 | C29 | H8 | 109.4° | 109.5° |
| H9 | N01 | H10 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N17 | C18 | C19 | H1 | 180.0° | 179.9° |
| N17 | C18 | C19 | CL20 | 180.0° | 179.9° |
| N17 | C18 | C19 | C21 | 0.1° | 0.2° |
| C18 | N17 | C16 | N15 | 179.7° | 180.0° |
| C18 | N17 | C16 | C26 | 0.5° | 0.3° |
| C19 | C18 | N17 | C16 | 0.2° | 0.0° |
| C18 | C19 | CL20 | C21 | 179.9° | 179.7° |
| C18 | C19 | C21 | C26 | 0.3° | 0.2° |
| C18 | C19 | C21 | C22 | 179.8° | 179.8° |
| N17 | C16 | N15 | C26 | 179.2° | 179.7° |
| N17 | C16 | N15 | C14 | 132.7° | 5.4° |
| N17 | C16 | C26 | C21 | 0.7° | 0.2° |
| C16 | N17 | C18 | H1 | 179.8° | 180.0° |
| N17 | C16 | C26 | H2 | 179.3° | 179.7° |
| N17 | C16 | N15 | H12 | 47.3° | 174.7° |
| CL32 | C31 | C06 | C07 | 1.5° | 0.1° |
| CL32 | C31 | C06 | C02 | 179.4° | 179.9° |
| CL32 | C31 | C02 | N01 | 0.0° | 0.3° |
| CL32 | C31 | C06 | N05 | 179.3° | 180.0° |
| CL32 | C31 | C02 | N03 | 180.0° | 179.9° |
| CL20 | C19 | C21 | C26 | 179.8° | 180.0° |
| CL20 | C19 | C21 | C22 | 0.3° | 0.1° |
| CL20 | C19 | C18 | H1 | 0.0° | 0.0° |
| O30 | C07 | C06 | N08 | 179.4° | 180.0° |
| O30 | C07 | N08 | C09 | 1.9° | 0.0° |
| O30 | C07 | C06 | C31 | 29.5° | 0.0° |
| O30 | C07 | C06 | N05 | 152.7° | 180.0° |
| O30 | C07 | N08 | H11 | 178.1° | 180.0° |
| C19 | C21 | C26 | C16 | 0.6° | 0.0° |
| C19 | C21 | C22 | F24 | 47.7° | 60.0° |
| C19 | C21 | C26 | C22 | 179.5° | 180.0° |
| C19 | C21 | C22 | F25 | 168.0° | 180.0° |
| C19 | C21 | C22 | F23 | 72.5° | 60.0° |
| C21 | C19 | C18 | H1 | 179.9° | 179.7° |
| C19 | C21 | C26 | H2 | 179.4° | 180.0° |
| C16 | N15 | C14 | O27 | 0.6° | 5.1° |
| C16 | N15 | C14 | H12 | 180.0° | 180.0° |
| C16 | N15 | C14 | C13 | 179.9° | 174.9° |
| N15 | C16 | C26 | C21 | 179.8° | 180.0° |
| N15 | C16 | C26 | H2 | 0.1° | 0.0° |
| C26 | C16 | N15 | C14 | 48.1° | 174.9° |
| C16 | C26 | C21 | H2 | 180.0° | 179.9° |
| C16 | C26 | C21 | C22 | 179.9° | 180.0° |
| C26 | C16 | N15 | H12 | 131.9° | 5.1° |
| O27 | C14 | N15 | C13 | 179.5° | 180.0° |
| O27 | C14 | C13 | S28 | 8.2° | 0.1° |
| O27 | C14 | C13 | C12 | 171.3° | 180.0° |
| O27 | C14 | N15 | H12 | 179.4° | 174.9° |
| N15 | C14 | C13 | S28 | 171.3° | 179.9° |
| N15 | C14 | C13 | C12 | 9.1° | 0.0° |
| C14 | C13 | S28 | C12 | 179.6° | 179.9° |
| C14 | C13 | S28 | C10 | 179.7° | 179.9° |
| C14 | C13 | C12 | N11 | 179.9° | 180.0° |
| C14 | C13 | C12 | H5 | 0.1° | 0.0° |
| C13 | C14 | N15 | H12 | 0.1° | 5.1° |
| C13 | S28 | C10 | C09 | 179.6° | 180.0° |
| C13 | S28 | C10 | N11 | 0.1° | 0.3° |
| S28 | C13 | C12 | N11 | 0.3° | 0.1° |
| S28 | C13 | C12 | H5 | 179.8° | 179.9° |
| C10 | S28 | C13 | C12 | 0.1° | 0.2° |
| S28 | C10 | C09 | N11 | 179.4° | 179.7° |
| S28 | C10 | C09 | N08 | 41.8° | 135.3° |
| S28 | C10 | C09 | C29 | 159.5° | 104.7° |
| S28 | C10 | N11 | C12 | 0.3° | 0.3° |
| S28 | C10 | C09 | H4 | 81.6° | 15.3° |
| F24 | C22 | C21 | C26 | 132.8° | 120.0° |
| F24 | C22 | C21 | F25 | 120.3° | 120.0° |
| F24 | C22 | C21 | F23 | 120.2° | 120.0° |
| F24 | C22 | F25 | F23 | 121.0° | 120.0° |
| C13 | C12 | N11 | C10 | 0.4° | 0.1° |
| C13 | C12 | N11 | H5 | 180.0° | 180.0° |
| C26 | C21 | C22 | F25 | 12.5° | 0.1° |
| C26 | C21 | C22 | F23 | 107.0° | 120.0° |
| C21 | C22 | F25 | F23 | 118.6° | 120.0° |
| C22 | C21 | C26 | H2 | 0.1° | 0.1° |
| C06 | C07 | N08 | C09 | 178.6° | 180.0° |
| C07 | C06 | C31 | N05 | 177.8° | 179.9° |
| C07 | C06 | C31 | C02 | 179.2° | 180.0° |
| C07 | C06 | N05 | C04 | 179.4° | 180.0° |
| C06 | C07 | N08 | H11 | 1.4° | 0.0° |
| C07 | N08 | C09 | C10 | 109.0° | 155.0° |
| C07 | N08 | C09 | H11 | 180.0° | 180.0° |
| C07 | N08 | C09 | C29 | 132.4° | 85.0° |
| N08 | C07 | C06 | C31 | 151.1° | 180.0° |
| N08 | C07 | C06 | N05 | 26.7° | 0.0° |
| C07 | N08 | C09 | H4 | 13.8° | 35.0° |
| C10 | C09 | N08 | C29 | 118.6° | 120.0° |
| C10 | C09 | N08 | H4 | 122.9° | 120.0° |
| C10 | C09 | C29 | H4 | 118.9° | 120.0° |
| C09 | C10 | N11 | C12 | 179.8° | 180.0° |
| C10 | C09 | C29 | H6 | 180.0° | 60.0° |
| C10 | C09 | C29 | H7 | 60.0° | 180.0° |
| C10 | C09 | C29 | H8 | 60.0° | 60.0° |
| C10 | C09 | N08 | H11 | 71.0° | 25.0° |
| N11 | C10 | C09 | N08 | 138.7° | 45.1° |
| N11 | C10 | C09 | C29 | 21.1° | 75.0° |
| N11 | C10 | C09 | H4 | 97.8° | 165.1° |
| C10 | N11 | C12 | H5 | 179.7° | 179.9° |
| N08 | C09 | C29 | H4 | 119.2° | 120.0° |
| N08 | C09 | C29 | H6 | 58.1° | 60.0° |
| N08 | C09 | C29 | H7 | 178.1° | 60.0° |
| N08 | C09 | C29 | H8 | 61.9° | 179.9° |
| C09 | C29 | H6 | H7 | 120.0° | 120.0° |
| C09 | C29 | H6 | H8 | 120.0° | 120.0° |
| C09 | C29 | H7 | H8 | 120.0° | 120.1° |
| C29 | C09 | N08 | H11 | 47.6° | 95.0° |
| C06 | C31 | C02 | N01 | 179.4° | 179.7° |
| C06 | C31 | C02 | N03 | 0.6° | 0.0° |
| C31 | C06 | N05 | C04 | 1.5° | 0.0° |
| C31 | C02 | N01 | N03 | 180.0° | 179.7° |
| C02 | C31 | C06 | N05 | 1.3° | 0.0° |
| C31 | C02 | N03 | C04 | 0.1° | 0.0° |
| C31 | C02 | N01 | H9 | 180.0° | 179.7° |
| C31 | C02 | N01 | H10 | 60.0° | 0.3° |
| N01 | C02 | N03 | C04 | 179.9° | 179.7° |
| C02 | N01 | H9 | H10 | 120.0° | 180.0° |
| C06 | N05 | C04 | N03 | 1.0° | 0.0° |
| C06 | N05 | C04 | H3 | 179.0° | 180.0° |
| C02 | N03 | C04 | N05 | 0.2° | 0.1° |
| C02 | N03 | C04 | H3 | 179.8° | 180.0° |
| N03 | C02 | N01 | H9 | 0.0° | 0.0° |
| N03 | C02 | N01 | H10 | 120.0° | 180.0° |
| N05 | C04 | N03 | H3 | 180.0° | 180.0° |
| H4 | C09 | C29 | H6 | 61.2° | 180.0° |
| H4 | C09 | C29 | H7 | 58.9° | 60.1° |
| H4 | C09 | C29 | H8 | 178.9° | 60.0° |
| H4 | C09 | N08 | H11 | 166.2° | 145.0° |
| H6 | C29 | H7 | H8 | 119.9° | 120.0° |
