QQ5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | O12 | sing | 1.43Å | 1.40Å | |
| C9 | C10 | sing | 1.53Å | 1.49Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.59Å | |
| C11 | N6 | sing | 1.47Å | 1.46Å | |
| C7 | N6 | sing | 1.47Å | 1.45Å | |
| CL1 | C23 | sing | 1.74Å | 1.79Å | |
| N6 | C4 | sing | 1.35Å | 1.34Å | |
| C24 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.34Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | O5 | doub | 1.22Å | 1.24Å | |
| C4 | C3 | sing | 1.48Å | 1.53Å | |
| C3 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | C13 | sing | 1.40Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.36Å | Aromatic |
| C26 | C21 | sing | 1.38Å | 1.37Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.49Å | |
| C1 | N18 | sing | 1.36Å | 1.32Å | Aromatic |
| C1 | C15 | doub | 1.40Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| N18 | C17 | doub | 1.31Å | 1.33Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | O16 | sing | 1.35Å | 1.33Å | Aromatic |
| C14 | O28 | sing | 1.36Å | 1.42Å | |
| C17 | O16 | sing | 1.34Å | 1.32Å | Aromatic |
| C17 | N19 | sing | 1.38Å | 1.36Å | |
| C20 | N19 | sing | 1.46Å | 1.43Å | |
| O28 | C29 | sing | 1.43Å | 1.43Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.08Å | 1.08Å | |
| C26 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C30 | H15 | sing | 1.09Å | 1.10Å | |
| C30 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| O12 | H18 | sing | 0.97Å | 0.95Å | |
| C2 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| N19 | H23 | sing | 0.97Å | 1.00Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C10 | C9 | 114.1° | 109.5° |
| C30 | C10 | C11 | 111.1° | 109.5° |
| C30 | C10 | H5 | 106.7° | 109.5° |
| C10 | C30 | H14 | 109.5° | 109.4° |
| C10 | C30 | H15 | 109.5° | 109.5° |
| C10 | C30 | H16 | 109.5° | 109.5° |
| O12 | C9 | C10 | 106.5° | 109.5° |
| O12 | C9 | C8 | 114.5° | 109.4° |
| O12 | C9 | H17 | 108.5° | 109.5° |
| C9 | O12 | H18 | 109.5° | 114.1° |
| C10 | C9 | C8 | 112.6° | 109.5° |
| C9 | C10 | C11 | 110.4° | 109.3° |
| C9 | C10 | H5 | 107.3° | 109.5° |
| C10 | C9 | H17 | 107.4° | 109.5° |
| C9 | C8 | C7 | 120.0° | 109.3° |
| C9 | C8 | H3 | 106.8° | 109.5° |
| C9 | C8 | H4 | 106.8° | 109.5° |
| C8 | C9 | H17 | 107.1° | 109.4° |
| C10 | C11 | N6 | 119.5° | 108.7° |
| C11 | C10 | H5 | 106.9° | 109.5° |
| C10 | C11 | H12 | 106.9° | 109.6° |
| C10 | C11 | H13 | 106.9° | 109.6° |
| C8 | C7 | N6 | 106.2° | 108.8° |
| C8 | C7 | H1 | 110.3° | 109.6° |
| C8 | C7 | H2 | 110.3° | 109.7° |
| C7 | C8 | H3 | 106.8° | 109.5° |
| C7 | C8 | H4 | 106.8° | 109.5° |
| C11 | N6 | C7 | 114.6° | 118.8° |
| C11 | N6 | C4 | 124.2° | 120.6° |
| N6 | C11 | H12 | 106.9° | 109.6° |
| N6 | C11 | H13 | 106.9° | 109.6° |
| C7 | N6 | C4 | 121.0° | 120.6° |
| N6 | C7 | H1 | 110.3° | 109.6° |
| N6 | C7 | H2 | 110.3° | 109.6° |
| CL1 | C23 | C24 | 116.8° | 120.0° |
| CL1 | C23 | C22 | 121.4° | 120.0° |
| N6 | C4 | O5 | 120.4° | 120.0° |
| N6 | C4 | C3 | 120.6° | 120.0° |
| C23 | C24 | C25 | 121.9° | 120.0° |
| C24 | C23 | C22 | 121.7° | 119.9° |
| C23 | C24 | H10 | 119.0° | 120.0° |
| C24 | C25 | C26 | 117.2° | 120.0° |
| C25 | C24 | H10 | 119.1° | 120.0° |
| C24 | C25 | H24 | 121.4° | 120.0° |
| C23 | C22 | C21 | 115.8° | 120.0° |
| C23 | C22 | H9 | 122.1° | 120.0° |
| C25 | C26 | C21 | 123.0° | 120.0° |
| C25 | C26 | H11 | 118.5° | 120.0° |
| C26 | C25 | H24 | 121.4° | 120.0° |
| O5 | C4 | C3 | 116.1° | 120.0° |
| C4 | C3 | C2 | 121.1° | 120.0° |
| C4 | C3 | C13 | 118.0° | 119.9° |
| C2 | C3 | C13 | 120.9° | 120.1° |
| C3 | C2 | C1 | 121.3° | 119.8° |
| C3 | C2 | H19 | 119.4° | 120.1° |
| C3 | C13 | C14 | 119.4° | 120.3° |
| C3 | C13 | H6 | 120.3° | 119.9° |
| C2 | C1 | N18 | 133.9° | 133.5° |
| C2 | C1 | C15 | 118.1° | 119.9° |
| C1 | C2 | H19 | 119.4° | 120.2° |
| C26 | C21 | C22 | 120.2° | 120.0° |
| C26 | C21 | C20 | 119.6° | 120.0° |
| C21 | C26 | H11 | 118.5° | 120.0° |
| C22 | C21 | C20 | 120.2° | 120.0° |
| C21 | C22 | H9 | 122.1° | 120.0° |
| C21 | C20 | N19 | 113.0° | 109.5° |
| C21 | C20 | H7 | 108.6° | 109.5° |
| C21 | C20 | H8 | 108.6° | 109.4° |
| N18 | C1 | C15 | 107.9° | 106.6° |
| C1 | N18 | C17 | 106.3° | 108.6° |
| C1 | C15 | C14 | 122.7° | 120.1° |
| C1 | C15 | O16 | 107.8° | 106.4° |
| C13 | C14 | C15 | 117.5° | 119.9° |
| C13 | C14 | O28 | 127.9° | 120.0° |
| C14 | C13 | H6 | 120.3° | 119.8° |
| N18 | C17 | O16 | 111.4° | 110.1° |
| N18 | C17 | N19 | 127.9° | 124.9° |
| C14 | C15 | O16 | 129.4° | 133.5° |
| C15 | C14 | O28 | 114.6° | 120.0° |
| C15 | O16 | C17 | 106.6° | 108.2° |
| C14 | O28 | C29 | 114.3° | 117.0° |
| O16 | C17 | N19 | 120.6° | 125.0° |
| C17 | N19 | C20 | 118.3° | 120.0° |
| C17 | N19 | H23 | 107.2° | 120.0° |
| N19 | C20 | H7 | 108.6° | 109.5° |
| N19 | C20 | H8 | 108.6° | 109.5° |
| C20 | N19 | H23 | 107.2° | 120.0° |
| O28 | C29 | H20 | 109.5° | 109.5° |
| O28 | C29 | H21 | 109.5° | 109.5° |
| O28 | C29 | H22 | 109.4° | 109.5° |
| H1 | C7 | H2 | 109.5° | 109.6° |
| H3 | C8 | H4 | 109.4° | 109.5° |
| H7 | C20 | H8 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.7° |
| H14 | C30 | H15 | 109.5° | 109.5° |
| H14 | C30 | H16 | 109.4° | 109.4° |
| H15 | C30 | H16 | 109.5° | 109.5° |
| H20 | C29 | H21 | 109.5° | 109.5° |
| H20 | C29 | H22 | 109.5° | 109.5° |
| H21 | C29 | H22 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C10 | C9 | O12 | 67.8° | 58.7° |
| C30 | C10 | C9 | C11 | 125.9° | 120.0° |
| C30 | C10 | C9 | H5 | 118.0° | 120.0° |
| C30 | C10 | C9 | C8 | 165.9° | 178.6° |
| C30 | C10 | C11 | H5 | 116.1° | 120.1° |
| C30 | C10 | C11 | N6 | 174.4° | 174.6° |
| C30 | C10 | C11 | H12 | 53.0° | 54.8° |
| C30 | C10 | C11 | H13 | 64.1° | 65.6° |
| C10 | C30 | H14 | H15 | 120.0° | 120.0° |
| C10 | C30 | H14 | H16 | 120.0° | 119.9° |
| C10 | C30 | H15 | H16 | 120.0° | 120.0° |
| C30 | C10 | C9 | H17 | 48.2° | 61.4° |
| O12 | C9 | C10 | C8 | 126.3° | 120.0° |
| O12 | C9 | C10 | H17 | 116.1° | 120.0° |
| O12 | C9 | C8 | H17 | 120.3° | 120.0° |
| O12 | C9 | C10 | C11 | 166.2° | 178.6° |
| O12 | C9 | C8 | C7 | 167.1° | 178.6° |
| O12 | C9 | C8 | H3 | 45.6° | 58.7° |
| O12 | C9 | C8 | H4 | 71.4° | 61.5° |
| O12 | C9 | C10 | H5 | 50.1° | 61.3° |
| C10 | C9 | C8 | H17 | 117.8° | 120.0° |
| C9 | C10 | C11 | H5 | 116.3° | 120.0° |
| C10 | C9 | C8 | C7 | 45.2° | 61.3° |
| C9 | C10 | C11 | N6 | 46.9° | 54.7° |
| C10 | C9 | C8 | H3 | 76.3° | 178.7° |
| C10 | C9 | C8 | H4 | 166.7° | 58.6° |
| C9 | C10 | C11 | H12 | 74.6° | 65.1° |
| C9 | C10 | C11 | H13 | 168.3° | 174.4° |
| C9 | C10 | C30 | H14 | 180.0° | 59.9° |
| C9 | C10 | C30 | H15 | 60.0° | 60.1° |
| C9 | C10 | C30 | H16 | 60.0° | 179.8° |
| C10 | C9 | O12 | H18 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 39.9° | 61.4° |
| C9 | C8 | C7 | H3 | 121.5° | 120.0° |
| C9 | C8 | C7 | H4 | 121.5° | 119.9° |
| C9 | C8 | C7 | N6 | 47.7° | 54.6° |
| C9 | C8 | C7 | H1 | 167.2° | 174.4° |
| C9 | C8 | C7 | H2 | 71.8° | 65.2° |
| C9 | C8 | H3 | H4 | 115.3° | 120.1° |
| C8 | C9 | C10 | H5 | 76.2° | 58.6° |
| C8 | C9 | O12 | H18 | 54.9° | 60.0° |
| C10 | C11 | N6 | H12 | 121.5° | 119.8° |
| C10 | C11 | N6 | H13 | 121.4° | 119.8° |
| C10 | C11 | N6 | C7 | 54.3° | 53.6° |
| C10 | C11 | N6 | C4 | 130.6° | 126.4° |
| C10 | C11 | H12 | H13 | 115.4° | 120.3° |
| C11 | C10 | C30 | H14 | 54.4° | 59.9° |
| C11 | C10 | C30 | H15 | 65.6° | 180.0° |
| C11 | C10 | C30 | H16 | 174.4° | 60.0° |
| C11 | C10 | C9 | H17 | 77.7° | 58.6° |
| C8 | C7 | N6 | C11 | 48.5° | 53.6° |
| C8 | C7 | N6 | H1 | 119.5° | 119.8° |
| C8 | C7 | N6 | H2 | 119.5° | 119.9° |
| C8 | C7 | N6 | C4 | 136.2° | 126.4° |
| C8 | C7 | H1 | H2 | 121.5° | 120.4° |
| C7 | C8 | H3 | H4 | 115.2° | 120.0° |
| C7 | C8 | C9 | H17 | 72.6° | 58.7° |
| C11 | N6 | C7 | C4 | 175.3° | 180.0° |
| C11 | N6 | C4 | O5 | 176.0° | 176.2° |
| C11 | N6 | C4 | C3 | 16.0° | 3.5° |
| C11 | N6 | C7 | H1 | 168.0° | 173.4° |
| C11 | N6 | C7 | H2 | 71.0° | 66.3° |
| N6 | C11 | C10 | H5 | 69.5° | 65.3° |
| N6 | C11 | H12 | H13 | 115.4° | 120.4° |
| C7 | N6 | C4 | O5 | 9.2° | 3.8° |
| C7 | N6 | C4 | C3 | 169.1° | 176.5° |
| N6 | C7 | H1 | H2 | 121.5° | 120.3° |
| N6 | C7 | C8 | H3 | 73.8° | 174.6° |
| N6 | C7 | C8 | H4 | 169.2° | 65.3° |
| C7 | N6 | C11 | H12 | 67.2° | 66.1° |
| C7 | N6 | C11 | H13 | 175.7° | 173.4° |
| CL1 | C23 | C24 | C22 | 176.7° | 179.7° |
| CL1 | C23 | C24 | C25 | 178.2° | 180.0° |
| CL1 | C23 | C22 | C21 | 178.8° | 179.7° |
| CL1 | C23 | C22 | H9 | 1.2° | 0.2° |
| CL1 | C23 | C24 | H10 | 1.8° | 0.2° |
| N6 | C4 | O5 | C3 | 160.8° | 179.7° |
| N6 | C4 | C3 | C2 | 118.3° | 50.7° |
| N6 | C4 | C3 | C13 | 64.3° | 129.3° |
| C4 | N6 | C7 | H1 | 16.7° | 6.6° |
| C4 | N6 | C7 | H2 | 104.3° | 113.7° |
| C4 | N6 | C11 | H12 | 108.0° | 113.8° |
| C4 | N6 | C11 | H13 | 9.2° | 6.6° |
| C23 | C24 | C25 | H10 | 180.0° | 179.8° |
| C23 | C24 | C25 | C26 | 3.5° | 0.3° |
| C24 | C23 | C22 | C21 | 4.7° | 0.1° |
| C24 | C23 | C22 | H9 | 175.3° | 179.9° |
| C23 | C24 | C25 | H24 | 176.5° | 180.0° |
| C25 | C24 | C23 | C22 | 1.5° | 0.2° |
| C24 | C25 | C26 | H24 | 180.0° | 179.7° |
| C24 | C25 | C26 | C21 | 5.4° | 0.0° |
| C24 | C25 | C26 | H11 | 174.6° | 180.0° |
| C23 | C22 | C21 | C26 | 2.9° | 0.3° |
| C23 | C22 | C21 | H9 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 179.8° | 179.9° |
| C22 | C23 | C24 | H10 | 178.4° | 180.0° |
| C25 | C26 | C21 | H11 | 180.0° | 180.0° |
| C25 | C26 | C21 | C22 | 2.1° | 0.3° |
| C25 | C26 | C21 | C20 | 174.8° | 180.0° |
| C26 | C25 | C24 | H10 | 176.5° | 179.9° |
| O5 | C4 | C3 | C2 | 81.0° | 129.0° |
| O5 | C4 | C3 | C13 | 96.5° | 50.9° |
| C4 | C3 | C2 | C13 | 177.4° | 180.0° |
| C4 | C3 | C2 | C1 | 179.3° | 179.9° |
| C4 | C3 | C13 | C14 | 179.2° | 180.0° |
| C4 | C3 | C13 | H6 | 0.9° | 0.3° |
| C4 | C3 | C2 | H19 | 0.7° | 0.0° |
| C3 | C2 | C1 | H19 | 180.0° | 180.0° |
| C3 | C2 | C1 | N18 | 177.9° | 180.0° |
| C3 | C2 | C1 | C15 | 2.3° | 0.2° |
| C2 | C3 | C13 | C14 | 1.7° | 0.0° |
| C2 | C3 | C13 | H6 | 178.3° | 179.7° |
| C13 | C3 | C2 | C1 | 3.3° | 0.0° |
| C3 | C13 | C14 | H6 | 180.0° | 179.7° |
| C3 | C13 | C14 | C15 | 0.8° | 0.3° |
| C3 | C13 | C14 | O28 | 178.8° | 179.7° |
| C13 | C3 | C2 | H19 | 176.7° | 180.0° |
| C2 | C1 | N18 | C15 | 176.0° | 179.8° |
| C2 | C1 | N18 | C17 | 177.9° | 180.0° |
| C2 | C1 | C15 | C14 | 0.3° | 0.5° |
| C2 | C1 | C15 | O16 | 177.0° | 179.9° |
| C26 | C21 | C22 | C20 | 176.9° | 179.7° |
| C26 | C21 | C20 | N19 | 144.1° | 90.3° |
| C26 | C21 | C20 | H7 | 23.5° | 29.8° |
| C26 | C21 | C20 | H8 | 95.4° | 149.7° |
| C26 | C21 | C22 | H9 | 177.1° | 179.8° |
| C21 | C26 | C25 | H24 | 174.6° | 179.7° |
| C22 | C21 | C20 | N19 | 39.1° | 90.0° |
| C22 | C21 | C20 | H7 | 159.6° | 149.9° |
| C22 | C21 | C20 | H8 | 81.5° | 30.0° |
| C22 | C21 | C26 | H11 | 177.9° | 179.7° |
| C21 | C20 | N19 | C17 | 82.8° | 180.0° |
| C21 | C20 | N19 | H7 | 120.5° | 120.0° |
| C21 | C20 | N19 | H8 | 120.5° | 119.9° |
| C21 | C20 | H7 | H8 | 118.4° | 119.9° |
| C20 | C21 | C22 | H9 | 0.2° | 0.1° |
| C20 | C21 | C26 | H11 | 5.2° | 0.0° |
| C21 | C20 | N19 | H23 | 38.4° | 0.0° |
| N18 | C1 | C15 | C14 | 176.4° | 179.7° |
| N18 | C1 | C15 | O16 | 0.2° | 0.1° |
| C1 | N18 | C17 | O16 | 3.0° | 0.3° |
| C1 | N18 | C17 | N19 | 179.9° | 179.9° |
| N18 | C1 | C2 | H19 | 2.0° | 0.0° |
| C1 | C15 | C14 | C13 | 1.9° | 0.6° |
| C15 | C1 | N18 | C17 | 1.9° | 0.2° |
| C1 | C15 | C14 | O16 | 175.8° | 179.4° |
| C1 | C15 | C14 | O28 | 177.8° | 179.5° |
| C1 | C15 | O16 | C17 | 1.5° | 0.1° |
| C15 | C1 | C2 | H19 | 177.7° | 179.7° |
| C13 | C14 | C15 | O28 | 179.7° | 180.0° |
| C13 | C14 | C15 | O16 | 177.7° | 180.0° |
| C13 | C14 | O28 | C29 | 4.9° | 0.0° |
| N18 | C17 | O16 | C15 | 2.8° | 0.2° |
| N18 | C17 | O16 | N19 | 177.1° | 179.8° |
| N18 | C17 | N19 | C20 | 9.5° | 0.2° |
| N18 | C17 | N19 | H23 | 111.7° | 179.8° |
| C14 | C15 | O16 | C17 | 177.9° | 179.4° |
| C15 | C14 | O28 | C29 | 174.7° | 180.0° |
| C15 | C14 | C13 | H6 | 179.2° | 180.0° |
| O16 | C15 | C14 | O28 | 2.0° | 0.0° |
| C15 | O16 | C17 | N19 | 180.0° | 179.9° |
| O28 | C14 | C13 | H6 | 1.2° | 0.0° |
| C14 | O28 | C29 | H20 | 180.0° | 60.0° |
| C14 | O28 | C29 | H21 | 60.0° | 180.0° |
| C14 | O28 | C29 | H22 | 60.0° | 60.0° |
| O16 | C17 | N19 | C20 | 167.1° | 180.0° |
| O16 | C17 | N19 | H23 | 71.6° | 0.1° |
| C17 | N19 | C20 | H23 | 121.3° | 180.0° |
| C17 | N19 | C20 | H7 | 37.7° | 60.0° |
| C17 | N19 | C20 | H8 | 156.6° | 60.0° |
| N19 | C20 | H7 | H8 | 118.4° | 120.1° |
| O28 | C29 | H20 | H21 | 120.0° | 120.0° |
| O28 | C29 | H20 | H22 | 120.0° | 120.0° |
| O28 | C29 | H21 | H22 | 120.0° | 120.0° |
| H1 | C7 | C8 | H3 | 45.6° | 65.6° |
| H1 | C7 | C8 | H4 | 71.3° | 54.5° |
| H2 | C7 | C8 | H3 | 166.7° | 54.7° |
| H2 | C7 | C8 | H4 | 49.7° | 174.8° |
| H3 | C8 | C9 | H17 | 165.9° | 61.3° |
| H4 | C8 | C9 | H17 | 48.9° | 178.6° |
| H5 | C10 | C11 | H12 | 169.1° | 174.9° |
| H5 | C10 | C11 | H13 | 51.9° | 54.5° |
| H5 | C10 | C30 | H14 | 61.7° | 180.0° |
| H5 | C10 | C30 | H15 | 178.2° | 59.9° |
| H5 | C10 | C30 | H16 | 58.3° | 60.1° |
| H5 | C10 | C9 | H17 | 166.2° | 178.6° |
| H7 | C20 | N19 | H23 | 159.0° | 120.0° |
| H8 | C20 | N19 | H23 | 82.1° | 119.9° |
| H10 | C24 | C25 | H24 | 3.5° | 0.2° |
| H11 | C26 | C25 | H24 | 5.4° | 0.3° |
| H14 | C30 | H15 | H16 | 120.0° | 120.0° |
| H17 | C9 | O12 | H18 | 64.7° | 60.0° |
| H20 | C29 | H21 | H22 | 120.0° | 120.0° |
