QVO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N31 | N32 | doub | 1.29Å | 1.35Å | Aromatic |
| N31 | N29 | sing | 1.41Å | 1.34Å | Aromatic |
| N32 | N30 | sing | 1.28Å | 1.35Å | Aromatic |
| N29 | C28 | sing | 1.36Å | 1.33Å | Aromatic |
| N30 | C28 | doub | 1.32Å | 1.33Å | Aromatic |
| C28 | C24 | sing | 1.48Å | 1.34Å | |
| C24 | C23 | doub | 1.40Å | 1.39Å | Aromatic |
| C24 | C26 | sing | 1.40Å | 1.40Å | Aromatic |
| C23 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | N20 | sing | 1.40Å | 1.35Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| O19 | C9 | doub | 1.22Å | 1.24Å | |
| C6 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C9 | sing | 1.40Å | 1.40Å | |
| C11 | C7 | doub | 1.39Å | 1.40Å | |
| N20 | C18 | sing | 1.35Å | 1.36Å | |
| O21 | C18 | doub | 1.21Å | 1.23Å | |
| C9 | N8 | sing | 1.35Å | 1.34Å | |
| C4 | CL33 | sing | 1.74Å | 1.82Å | |
| C4 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C7 | sing | 1.48Å | 1.42Å | |
| C18 | C17 | sing | 1.51Å | 1.51Å | |
| C7 | C12 | sing | 1.41Å | 1.37Å | |
| N8 | C17 | sing | 1.47Å | 1.52Å | |
| N8 | C10 | sing | 1.36Å | 1.35Å | |
| C12 | C10 | doub | 1.39Å | 1.37Å | |
| C12 | C15 | sing | 1.49Å | 1.38Å | |
| C10 | C13 | sing | 1.48Å | 1.41Å | |
| C15 | O16 | doub | 1.21Å | 1.23Å | |
| C15 | N14 | sing | 1.35Å | 1.33Å | |
| C13 | N14 | doub | 1.30Å | 1.47Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.08Å | 1.08Å | |
| C27 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| N20 | H11 | sing | 0.97Å | 1.00Å | |
| C25 | H12 | sing | 1.08Å | 1.08Å | |
| C26 | H13 | sing | 1.08Å | 1.08Å | |
| N29 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N32 | N31 | N29 | 107.7° | 106.9° |
| N31 | N32 | N30 | 108.0° | 110.4° |
| N31 | N29 | C28 | 107.9° | 105.2° |
| N31 | N29 | H14 | 126.1° | 127.4° |
| N32 | N30 | C28 | 107.0° | 110.5° |
| N29 | C28 | N30 | 109.4° | 107.0° |
| N29 | C28 | C24 | 124.0° | 126.5° |
| C28 | N29 | H14 | 126.0° | 127.4° |
| N30 | C28 | C24 | 126.5° | 126.5° |
| C28 | C24 | C23 | 121.1° | 120.0° |
| C28 | C24 | C26 | 119.9° | 120.1° |
| C23 | C24 | C26 | 118.9° | 119.9° |
| C24 | C23 | C25 | 120.1° | 119.9° |
| C24 | C23 | H8 | 119.9° | 120.0° |
| C24 | C26 | C27 | 120.9° | 119.9° |
| C24 | C26 | H13 | 119.5° | 120.1° |
| C23 | C25 | C22 | 121.4° | 120.1° |
| C25 | C23 | H8 | 119.9° | 120.1° |
| C23 | C25 | H12 | 119.3° | 119.9° |
| C26 | C27 | C22 | 120.5° | 120.1° |
| C26 | C27 | H9 | 119.7° | 120.0° |
| C27 | C26 | H13 | 119.6° | 120.0° |
| C25 | C22 | C27 | 118.1° | 120.1° |
| C25 | C22 | N20 | 117.3° | 119.9° |
| C22 | C25 | H12 | 119.3° | 120.0° |
| C27 | C22 | N20 | 124.6° | 119.9° |
| C22 | C27 | H9 | 119.7° | 119.9° |
| C22 | N20 | C18 | 122.4° | 120.0° |
| C22 | N20 | H11 | 118.8° | 120.0° |
| C6 | C5 | C3 | 120.6° | 120.2° |
| C5 | C6 | C4 | 118.8° | 120.2° |
| C6 | C5 | H3 | 119.7° | 119.9° |
| C5 | C6 | H4 | 120.6° | 119.9° |
| C5 | C3 | C1 | 121.6° | 119.9° |
| C5 | C3 | H2 | 119.2° | 120.1° |
| C3 | C5 | H3 | 119.7° | 119.9° |
| O19 | C9 | C11 | 122.8° | 119.6° |
| O19 | C9 | N8 | 118.2° | 119.6° |
| C6 | C4 | CL33 | 120.2° | 120.0° |
| C6 | C4 | C2 | 119.4° | 120.1° |
| C4 | C6 | H4 | 120.6° | 119.9° |
| C3 | C1 | C2 | 117.3° | 119.8° |
| C3 | C1 | C7 | 122.1° | 120.1° |
| C1 | C3 | H2 | 119.2° | 120.1° |
| C9 | C11 | C7 | 121.1° | 119.4° |
| C11 | C9 | N8 | 119.0° | 120.8° |
| C9 | C11 | H5 | 119.5° | 120.3° |
| C11 | C7 | C1 | 115.1° | 120.7° |
| C11 | C7 | C12 | 118.2° | 118.6° |
| C7 | C11 | H5 | 119.4° | 120.3° |
| N20 | C18 | O21 | 128.5° | 120.0° |
| N20 | C18 | C17 | 114.3° | 120.0° |
| C18 | N20 | H11 | 118.8° | 120.0° |
| O21 | C18 | C17 | 117.1° | 120.0° |
| C9 | N8 | C17 | 119.2° | 119.5° |
| C9 | N8 | C10 | 119.8° | 121.1° |
| CL33 | C4 | C2 | 120.4° | 119.9° |
| C4 | C2 | C1 | 122.4° | 119.8° |
| C4 | C2 | H1 | 118.8° | 120.1° |
| C2 | C1 | C7 | 120.6° | 120.1° |
| C1 | C2 | H1 | 118.8° | 120.1° |
| C1 | C7 | C12 | 126.6° | 120.7° |
| C18 | C17 | N8 | 109.8° | 109.5° |
| C18 | C17 | H6 | 109.4° | 109.5° |
| C18 | C17 | H7 | 109.4° | 109.5° |
| C7 | C12 | C10 | 118.6° | 119.9° |
| C7 | C12 | C15 | 135.7° | 134.6° |
| C17 | N8 | C10 | 121.0° | 119.5° |
| N8 | C17 | H6 | 109.4° | 109.5° |
| N8 | C17 | H7 | 109.4° | 109.5° |
| N8 | C10 | C12 | 123.2° | 120.4° |
| N8 | C10 | C13 | 126.1° | 133.9° |
| C10 | C12 | C15 | 105.8° | 105.5° |
| C12 | C10 | C13 | 110.6° | 105.7° |
| C12 | C15 | O16 | 128.6° | 126.0° |
| C12 | C15 | N14 | 112.9° | 107.9° |
| C10 | C13 | N14 | 104.3° | 109.3° |
| C10 | C13 | H10 | 127.9° | 125.3° |
| O16 | C15 | N14 | 118.4° | 126.1° |
| C15 | N14 | C13 | 106.3° | 111.5° |
| N14 | C13 | H10 | 127.8° | 125.4° |
| H6 | C17 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N32 | N31 | N29 | C28 | 0.1° | 0.0° |
| N31 | N32 | N30 | C28 | 0.4° | 0.5° |
| N32 | N31 | N29 | H14 | 179.9° | 180.0° |
| N29 | N31 | N32 | N30 | 0.2° | 0.3° |
| N31 | N29 | C28 | H14 | 180.0° | 180.0° |
| N31 | N29 | C28 | N30 | 0.4° | 0.2° |
| N31 | N29 | C28 | C24 | 178.9° | 179.9° |
| N32 | N30 | C28 | N29 | 0.5° | 0.4° |
| N32 | N30 | C28 | C24 | 179.0° | 179.9° |
| N29 | C28 | N30 | C24 | 178.5° | 179.7° |
| N29 | C28 | C24 | C23 | 153.2° | 180.0° |
| N29 | C28 | C24 | C26 | 25.1° | 0.0° |
| N30 | C28 | C24 | C23 | 25.1° | 0.3° |
| N30 | C28 | C24 | C26 | 156.6° | 179.6° |
| N30 | C28 | N29 | H14 | 179.7° | 179.7° |
| C28 | C24 | C23 | C26 | 178.4° | 180.0° |
| C28 | C24 | C23 | C25 | 178.9° | 180.0° |
| C28 | C24 | C26 | C27 | 179.4° | 180.0° |
| C28 | C24 | C23 | H8 | 1.0° | 0.3° |
| C28 | C24 | C26 | H13 | 0.6° | 0.0° |
| C24 | C28 | N29 | H14 | 1.1° | 0.0° |
| C24 | C23 | C25 | H8 | 180.0° | 179.7° |
| C23 | C24 | C26 | C27 | 1.0° | 0.0° |
| C24 | C23 | C25 | C22 | 0.2° | 0.3° |
| C24 | C23 | C25 | H12 | 179.8° | 179.6° |
| C23 | C24 | C26 | H13 | 179.0° | 180.0° |
| C26 | C24 | C23 | C25 | 0.6° | 0.0° |
| C24 | C26 | C27 | H13 | 180.0° | 180.0° |
| C24 | C26 | C27 | C22 | 1.1° | 0.3° |
| C26 | C24 | C23 | H8 | 179.4° | 179.7° |
| C24 | C26 | C27 | H9 | 178.9° | 179.7° |
| C23 | C25 | C22 | H12 | 180.0° | 180.0° |
| C23 | C25 | C22 | C27 | 0.3° | 0.6° |
| C23 | C25 | C22 | N20 | 179.7° | 179.4° |
| C26 | C27 | C22 | C25 | 0.7° | 0.6° |
| C26 | C27 | C22 | H9 | 180.0° | 179.4° |
| C26 | C27 | C22 | N20 | 179.2° | 179.4° |
| C25 | C22 | C27 | N20 | 179.9° | 180.0° |
| C25 | C22 | N20 | C18 | 157.6° | 35.0° |
| C22 | C25 | C23 | H8 | 179.8° | 180.0° |
| C25 | C22 | C27 | H9 | 179.3° | 180.0° |
| C25 | C22 | N20 | H11 | 22.4° | 144.9° |
| C27 | C22 | N20 | C18 | 22.3° | 145.0° |
| C27 | C22 | N20 | H11 | 157.7° | 35.1° |
| C27 | C22 | C25 | H12 | 179.7° | 179.4° |
| C22 | C27 | C26 | H13 | 178.9° | 179.7° |
| C22 | N20 | C18 | H11 | 180.0° | 179.9° |
| C22 | N20 | C18 | O21 | 5.3° | 4.5° |
| C22 | N20 | C18 | C17 | 178.0° | 175.4° |
| N20 | C22 | C27 | H9 | 0.8° | 0.0° |
| N20 | C22 | C25 | H12 | 0.4° | 0.6° |
| C6 | C5 | C3 | H3 | 180.0° | 179.1° |
| C5 | C6 | C4 | H4 | 180.0° | 179.2° |
| C6 | C5 | C3 | C1 | 0.2° | 0.6° |
| C5 | C6 | C4 | CL33 | 179.1° | 179.5° |
| C5 | C6 | C4 | C2 | 0.9° | 0.6° |
| C6 | C5 | C3 | H2 | 179.7° | 179.5° |
| C3 | C5 | C6 | C4 | 0.3° | 0.9° |
| C5 | C3 | C1 | H2 | 180.0° | 179.9° |
| C5 | C3 | C1 | C2 | 0.7° | 0.0° |
| C5 | C3 | C1 | C7 | 178.9° | 179.7° |
| C3 | C5 | C6 | H4 | 179.7° | 180.0° |
| O19 | C9 | C11 | N8 | 179.0° | 180.0° |
| O19 | C9 | C11 | C7 | 179.9° | 179.9° |
| O19 | C9 | N8 | C17 | 0.8° | 0.0° |
| O19 | C9 | N8 | C10 | 179.9° | 179.7° |
| O19 | C9 | C11 | H5 | 0.1° | 0.0° |
| C6 | C4 | CL33 | C2 | 180.0° | 179.9° |
| C6 | C4 | C2 | C1 | 1.4° | 0.0° |
| C6 | C4 | C2 | H1 | 178.7° | 180.0° |
| C4 | C6 | C5 | H3 | 179.7° | 180.0° |
| C3 | C1 | C7 | C11 | 113.2° | 115.1° |
| C3 | C1 | C2 | C4 | 1.2° | 0.3° |
| C3 | C1 | C2 | C7 | 178.2° | 179.7° |
| C3 | C1 | C7 | C12 | 66.8° | 64.7° |
| C3 | C1 | C2 | H1 | 178.8° | 179.8° |
| C1 | C3 | C5 | H3 | 179.8° | 179.7° |
| C9 | C11 | C7 | H5 | 180.0° | 180.0° |
| C9 | C11 | C7 | C1 | 179.7° | 180.0° |
| C9 | C11 | C7 | C12 | 0.3° | 0.2° |
| C11 | C9 | N8 | C17 | 178.3° | 180.0° |
| C11 | C9 | N8 | C10 | 1.1° | 0.3° |
| C7 | C11 | C9 | N8 | 0.9° | 0.0° |
| C11 | C7 | C1 | C2 | 65.0° | 65.3° |
| C11 | C7 | C1 | C12 | 180.0° | 179.8° |
| C11 | C7 | C12 | C10 | 0.1° | 0.2° |
| C11 | C7 | C12 | C15 | 179.6° | 179.8° |
| N20 | C18 | O21 | C17 | 176.6° | 179.9° |
| N20 | C18 | C17 | N8 | 139.0° | 179.9° |
| N20 | C18 | C17 | H6 | 101.0° | 60.0° |
| N20 | C18 | C17 | H7 | 18.9° | 60.0° |
| O21 | C18 | C17 | N8 | 43.9° | 0.0° |
| O21 | C18 | C17 | H6 | 76.1° | 119.9° |
| O21 | C18 | C17 | H7 | 164.0° | 120.1° |
| O21 | C18 | N20 | H11 | 174.7° | 175.4° |
| C9 | N8 | C17 | C18 | 77.3° | 90.0° |
| C9 | N8 | C17 | C10 | 179.3° | 179.7° |
| C9 | N8 | C10 | C12 | 0.7° | 0.3° |
| C9 | N8 | C10 | C13 | 178.8° | 179.7° |
| N8 | C9 | C11 | H5 | 179.1° | 180.0° |
| C9 | N8 | C17 | H6 | 162.6° | 30.0° |
| C9 | N8 | C17 | H7 | 42.7° | 150.0° |
| CL33 | C4 | C2 | C1 | 178.6° | 180.0° |
| CL33 | C4 | C2 | H1 | 1.3° | 0.0° |
| CL33 | C4 | C6 | H4 | 0.8° | 0.3° |
| C4 | C2 | C1 | H1 | 180.0° | 180.0° |
| C4 | C2 | C1 | C7 | 179.5° | 179.9° |
| C2 | C4 | C6 | H4 | 179.2° | 179.8° |
| C2 | C1 | C7 | C12 | 115.1° | 115.0° |
| C2 | C1 | C3 | H2 | 179.3° | 180.0° |
| C1 | C7 | C12 | C10 | 179.9° | 180.0° |
| C1 | C7 | C12 | C15 | 0.4° | 0.0° |
| C7 | C1 | C2 | H1 | 0.5° | 0.1° |
| C7 | C1 | C3 | H2 | 1.1° | 0.3° |
| C1 | C7 | C11 | H5 | 0.3° | 0.0° |
| C18 | C17 | N8 | H6 | 120.0° | 120.0° |
| C18 | C17 | N8 | H7 | 120.1° | 120.0° |
| C18 | C17 | N8 | C10 | 103.4° | 89.7° |
| C18 | C17 | H6 | H7 | 119.8° | 120.0° |
| C17 | C18 | N20 | H11 | 2.0° | 4.7° |
| C7 | C12 | C10 | N8 | 0.1° | 0.0° |
| C7 | C12 | C10 | C15 | 179.6° | 180.0° |
| C7 | C12 | C10 | C13 | 179.5° | 180.0° |
| C7 | C12 | C15 | O16 | 3.4° | 0.1° |
| C7 | C12 | C15 | N14 | 180.0° | 180.0° |
| C12 | C7 | C11 | H5 | 179.7° | 179.8° |
| C17 | N8 | C10 | C12 | 178.6° | 180.0° |
| C17 | N8 | C10 | C13 | 1.9° | 0.0° |
| N8 | C17 | H6 | H7 | 119.9° | 120.0° |
| N8 | C10 | C12 | C13 | 179.5° | 180.0° |
| N8 | C10 | C12 | C15 | 179.6° | 180.0° |
| N8 | C10 | C13 | N14 | 179.6° | 180.0° |
| C10 | N8 | C17 | H6 | 16.7° | 150.3° |
| C10 | N8 | C17 | H7 | 136.6° | 30.3° |
| N8 | C10 | C13 | H10 | 0.4° | 0.0° |
| C10 | C12 | C15 | O16 | 176.1° | 179.9° |
| C10 | C12 | C15 | N14 | 0.5° | 0.0° |
| C12 | C10 | C13 | N14 | 0.9° | 0.0° |
| C12 | C10 | C13 | H10 | 179.1° | 180.0° |
| C15 | C12 | C10 | C13 | 0.9° | 0.0° |
| C12 | C15 | O16 | N14 | 176.5° | 180.0° |
| C12 | C15 | N14 | C13 | 0.1° | 0.0° |
| C10 | C13 | N14 | C15 | 0.6° | 0.0° |
| C10 | C13 | N14 | H10 | 180.0° | 180.0° |
| O16 | C15 | N14 | C13 | 177.1° | 179.9° |
| C15 | N14 | C13 | H10 | 179.4° | 180.0° |
| H2 | C3 | C5 | H3 | 0.2° | 0.3° |
| H3 | C5 | C6 | H4 | 0.3° | 0.8° |
| H8 | C23 | C25 | H12 | 0.3° | 0.0° |
| H9 | C27 | C26 | H13 | 1.2° | 0.3° |
