M6Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C18 | sing | 1.55Å | 1.51Å | |
| C17 | C9 | sing | 1.54Å | 1.53Å | |
| C18 | C19 | sing | 1.55Å | 1.51Å | |
| O | C10 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C9 | N1 | sing | 1.47Å | 1.47Å | |
| C10 | N2 | sing | 1.35Å | 1.33Å | |
| N2 | C11 | sing | 1.47Å | 1.46Å | |
| C19 | N1 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | C8 | sing | 1.35Å | 1.35Å | |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | O1 | doub | 1.21Å | 1.22Å | |
| C8 | C | sing | 1.51Å | 1.52Å | |
| C16 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C | N | sing | 1.47Å | 1.47Å | |
| C15 | N4 | sing | 1.39Å | 1.34Å | |
| C15 | N3 | doub | 1.32Å | 1.35Å | Aromatic |
| C14 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| N4 | H11 | sing | 0.97Å | 1.00Å | |
| N4 | H12 | sing | 0.97Å | 1.00Å | |
| N | H13 | sing | 1.01Å | 1.00Å | |
| N | H14 | sing | 1.01Å | 1.00Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C3 | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C9 | 104.8° | 102.9° |
| C17 | C18 | C19 | 103.8° | 101.5° |
| C18 | C17 | H20 | 110.6° | 110.8° |
| C18 | C17 | H21 | 110.6° | 110.8° |
| C17 | C18 | H22 | 110.9° | 111.0° |
| C17 | C18 | H23 | 110.9° | 110.9° |
| C17 | C9 | C10 | 110.1° | 109.9° |
| C17 | C9 | N1 | 103.5° | 107.2° |
| C17 | C9 | H6 | 110.6° | 110.0° |
| C9 | C17 | H20 | 110.6° | 110.6° |
| C9 | C17 | H21 | 110.6° | 110.8° |
| C18 | C19 | N1 | 102.7° | 104.7° |
| C19 | C18 | H22 | 110.9° | 111.2° |
| C19 | C18 | H23 | 110.9° | 110.9° |
| C18 | C19 | H24 | 111.1° | 110.4° |
| C18 | C19 | H25 | 111.1° | 110.4° |
| O | C10 | C9 | 120.7° | 120.0° |
| O | C10 | N2 | 123.4° | 120.0° |
| C10 | C9 | N1 | 110.2° | 109.9° |
| C9 | C10 | N2 | 115.9° | 120.0° |
| C10 | C9 | H6 | 110.7° | 109.9° |
| C9 | N1 | C19 | 111.9° | 108.7° |
| C9 | N1 | C8 | 120.3° | 125.6° |
| N1 | C9 | H6 | 111.5° | 109.9° |
| C10 | N2 | C11 | 121.8° | 120.0° |
| C10 | N2 | H5 | 119.1° | 120.0° |
| N2 | C11 | C12 | 111.5° | 109.4° |
| C11 | N2 | H5 | 119.1° | 120.0° |
| N2 | C11 | H7 | 109.0° | 109.5° |
| N2 | C11 | H8 | 109.0° | 109.5° |
| C19 | N1 | C8 | 127.8° | 125.6° |
| N1 | C19 | H24 | 111.2° | 110.7° |
| N1 | C19 | H25 | 111.1° | 110.2° |
| C11 | C12 | C16 | 120.8° | 120.8° |
| C11 | C12 | C13 | 120.8° | 120.7° |
| C12 | C11 | H7 | 108.9° | 109.4° |
| C12 | C11 | H8 | 109.0° | 109.5° |
| C4 | C5 | C6 | 119.7° | 120.0° |
| C5 | C4 | C3 | 120.2° | 120.0° |
| C5 | C4 | H1 | 119.9° | 120.0° |
| C4 | C5 | H2 | 120.2° | 120.0° |
| C5 | C6 | C7 | 120.1° | 120.0° |
| C6 | C5 | H2 | 120.2° | 120.0° |
| C5 | C6 | H3 | 120.0° | 120.0° |
| N1 | C8 | O1 | 121.8° | 120.0° |
| N1 | C8 | C | 118.8° | 120.0° |
| C4 | C3 | C2 | 120.6° | 120.0° |
| C3 | C4 | H1 | 119.9° | 120.1° |
| C4 | C3 | H26 | 119.7° | 120.0° |
| C6 | C7 | C2 | 120.8° | 120.0° |
| C7 | C6 | H3 | 119.9° | 120.0° |
| C6 | C7 | H4 | 119.6° | 120.0° |
| C16 | C12 | C13 | 118.4° | 118.5° |
| C12 | C16 | C15 | 119.1° | 119.1° |
| C12 | C16 | H19 | 120.5° | 120.4° |
| C12 | C13 | C14 | 119.1° | 119.3° |
| C12 | C13 | H9 | 120.4° | 120.4° |
| C3 | C2 | C7 | 118.5° | 119.9° |
| C3 | C2 | C1 | 121.0° | 120.0° |
| C2 | C3 | H26 | 119.7° | 120.0° |
| O1 | C8 | C | 119.4° | 120.0° |
| C8 | C | C1 | 114.7° | 109.4° |
| C8 | C | N | 107.9° | 109.5° |
| C8 | C | H16 | 107.1° | 109.5° |
| C16 | C15 | N4 | 121.3° | 119.7° |
| C16 | C15 | N3 | 122.1° | 120.6° |
| C15 | C16 | H19 | 120.5° | 120.5° |
| C13 | C14 | N3 | 123.7° | 120.9° |
| C14 | C13 | H9 | 120.5° | 120.3° |
| C13 | C14 | H10 | 118.2° | 119.5° |
| C7 | C2 | C1 | 120.4° | 120.0° |
| C2 | C7 | H4 | 119.6° | 120.0° |
| C2 | C1 | C | 111.2° | 109.5° |
| C2 | C1 | H17 | 109.1° | 109.5° |
| C2 | C1 | H18 | 109.0° | 109.5° |
| C1 | C | N | 111.8° | 109.5° |
| C1 | C | H16 | 107.2° | 109.4° |
| C | C1 | H17 | 109.0° | 109.5° |
| C | C1 | H18 | 109.1° | 109.4° |
| C | N | H13 | 109.5° | 110.9° |
| C | N | H14 | 109.5° | 111.0° |
| N | C | H16 | 107.8° | 109.5° |
| N4 | C15 | N3 | 116.6° | 119.7° |
| C15 | N4 | H11 | 109.5° | 120.0° |
| C15 | N4 | H12 | 109.5° | 120.0° |
| C15 | N3 | C14 | 117.7° | 121.6° |
| N3 | C14 | H10 | 118.1° | 119.6° |
| H7 | C11 | H8 | 109.4° | 109.5° |
| H11 | N4 | H12 | 109.4° | 120.0° |
| H13 | N | H14 | 109.5° | 111.0° |
| H17 | C1 | H18 | 109.5° | 109.5° |
| H20 | C17 | H21 | 109.5° | 110.8° |
| H22 | C18 | H23 | 109.5° | 110.9° |
| H24 | C19 | H25 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C9 | H20 | 119.3° | 118.3° |
| C18 | C17 | C9 | H21 | 119.3° | 118.5° |
| C17 | C18 | C19 | H22 | 119.1° | 118.1° |
| C17 | C18 | C19 | H23 | 119.1° | 117.9° |
| C18 | C17 | C9 | C10 | 140.4° | 97.2° |
| C18 | C17 | C9 | N1 | 22.6° | 22.2° |
| C17 | C18 | C19 | N1 | 34.2° | 37.3° |
| C18 | C17 | C9 | H6 | 96.9° | 141.6° |
| C18 | C17 | H20 | H21 | 122.2° | 123.3° |
| C17 | C18 | H22 | H23 | 122.6° | 123.8° |
| C17 | C18 | C19 | H24 | 84.7° | 81.8° |
| C17 | C18 | C19 | H25 | 153.1° | 155.9° |
| C9 | C17 | C18 | C19 | 35.7° | 35.7° |
| C17 | C9 | C10 | O | 65.4° | 117.8° |
| C17 | C9 | C10 | N1 | 113.5° | 117.8° |
| C17 | C9 | C10 | H6 | 122.6° | 121.2° |
| C17 | C9 | N1 | H6 | 118.9° | 119.6° |
| C17 | C9 | C10 | N2 | 114.0° | 62.2° |
| C17 | C9 | N1 | C19 | 1.0° | 1.3° |
| C17 | C9 | N1 | C8 | 179.6° | 179.0° |
| C9 | C17 | H20 | H21 | 122.1° | 123.3° |
| C9 | C17 | C18 | H22 | 154.8° | 82.6° |
| C9 | C17 | C18 | H23 | 83.4° | 153.6° |
| C18 | C19 | N1 | C9 | 20.9° | 24.5° |
| C18 | C19 | N1 | H24 | 118.9° | 119.0° |
| C18 | C19 | N1 | H25 | 118.9° | 118.7° |
| C18 | C19 | N1 | C8 | 158.6° | 155.8° |
| C19 | C18 | C17 | H20 | 154.9° | 153.9° |
| C19 | C18 | C17 | H21 | 83.6° | 82.8° |
| C19 | C18 | H22 | H23 | 122.6° | 124.0° |
| C18 | C19 | H24 | H25 | 123.1° | 122.3° |
| O | C10 | C9 | N2 | 179.4° | 180.0° |
| O | C10 | C9 | N1 | 48.2° | 0.0° |
| O | C10 | N2 | C11 | 1.0° | 0.0° |
| O | C10 | N2 | H5 | 179.0° | 180.0° |
| O | C10 | C9 | H6 | 172.1° | 121.0° |
| C10 | C9 | N1 | H6 | 123.4° | 121.0° |
| C9 | C10 | N2 | C11 | 179.6° | 180.0° |
| C10 | C9 | N1 | C19 | 118.7° | 120.7° |
| C10 | C9 | N1 | C8 | 61.9° | 59.6° |
| C9 | C10 | N2 | H5 | 0.4° | 0.0° |
| C10 | C9 | C17 | H20 | 100.3° | 21.1° |
| C10 | C9 | C17 | H21 | 21.1° | 144.3° |
| N1 | C9 | C10 | N2 | 132.4° | 180.0° |
| C9 | N1 | C19 | C8 | 179.4° | 179.7° |
| C9 | N1 | C8 | O1 | 0.7° | 0.0° |
| C9 | N1 | C8 | C | 179.2° | 180.0° |
| N1 | C9 | C17 | H20 | 141.9° | 140.5° |
| N1 | C9 | C17 | H21 | 96.7° | 96.3° |
| C9 | N1 | C19 | H24 | 98.1° | 94.5° |
| C9 | N1 | C19 | H25 | 139.7° | 143.1° |
| C10 | N2 | C11 | H5 | 180.0° | 180.0° |
| C10 | N2 | C11 | C12 | 87.1° | 180.0° |
| N2 | C10 | C9 | H6 | 8.6° | 59.0° |
| C10 | N2 | C11 | H7 | 152.6° | 60.0° |
| C10 | N2 | C11 | H8 | 33.3° | 60.0° |
| N2 | C11 | C12 | H7 | 120.3° | 120.0° |
| N2 | C11 | C12 | H8 | 120.3° | 120.0° |
| N2 | C11 | C12 | C16 | 119.9° | 90.0° |
| N2 | C11 | C12 | C13 | 58.6° | 89.7° |
| N2 | C11 | H7 | H8 | 119.1° | 120.0° |
| C19 | N1 | C8 | O1 | 178.7° | 179.7° |
| C19 | N1 | C8 | C | 0.2° | 0.4° |
| C19 | N1 | C9 | H6 | 117.9° | 118.3° |
| N1 | C19 | C18 | H22 | 153.3° | 80.8° |
| N1 | C19 | C18 | H23 | 84.9° | 155.2° |
| N1 | C19 | H24 | H25 | 123.1° | 122.3° |
| C11 | C12 | C16 | C13 | 178.6° | 179.7° |
| C11 | C12 | C16 | C15 | 178.4° | 180.0° |
| C11 | C12 | C13 | C14 | 178.1° | 180.0° |
| C12 | C11 | N2 | H5 | 92.9° | 0.0° |
| C12 | C11 | H7 | H8 | 119.0° | 120.0° |
| C11 | C12 | C13 | H9 | 1.9° | 0.0° |
| C11 | C12 | C16 | H19 | 1.6° | 0.0° |
| C4 | C5 | C6 | H2 | 180.0° | 179.9° |
| C5 | C4 | C3 | H1 | 180.0° | 179.8° |
| C4 | C5 | C6 | C7 | 0.7° | 0.1° |
| C5 | C4 | C3 | C2 | 0.1° | 0.1° |
| C4 | C5 | C6 | H3 | 179.3° | 179.9° |
| C5 | C4 | C3 | H26 | 179.8° | 179.7° |
| C6 | C5 | C4 | C3 | 0.8° | 0.0° |
| C5 | C6 | C7 | H3 | 180.0° | 180.0° |
| C5 | C6 | C7 | C2 | 0.4° | 0.0° |
| C6 | C5 | C4 | H1 | 179.2° | 179.8° |
| C5 | C6 | C7 | H4 | 179.5° | 180.0° |
| N1 | C8 | O1 | C | 178.5° | 180.0° |
| N1 | C8 | C | C1 | 95.3° | 80.0° |
| N1 | C8 | C | N | 139.4° | 159.9° |
| C8 | N1 | C9 | H6 | 61.5° | 61.4° |
| N1 | C8 | C | H16 | 23.6° | 39.9° |
| C8 | N1 | C19 | H24 | 82.5° | 85.2° |
| C8 | N1 | C19 | H25 | 39.7° | 37.2° |
| C4 | C3 | C2 | H26 | 180.0° | 179.5° |
| C4 | C3 | C2 | C7 | 1.2° | 0.2° |
| C4 | C3 | C2 | C1 | 174.2° | 180.0° |
| C3 | C4 | C5 | H2 | 179.2° | 179.9° |
| C6 | C7 | C2 | C3 | 1.4° | 0.1° |
| C6 | C7 | C2 | H4 | 180.0° | 180.0° |
| C6 | C7 | C2 | C1 | 174.1° | 179.9° |
| C7 | C6 | C5 | H2 | 179.4° | 180.0° |
| C12 | C16 | C15 | H19 | 180.0° | 180.0° |
| C16 | C12 | C13 | C14 | 0.4° | 0.3° |
| C12 | C16 | C15 | N4 | 179.4° | 179.8° |
| C12 | C16 | C15 | N3 | 0.2° | 0.0° |
| C16 | C12 | C11 | H7 | 0.4° | 30.0° |
| C16 | C12 | C11 | H8 | 119.7° | 150.0° |
| C16 | C12 | C13 | H9 | 179.5° | 179.8° |
| C13 | C12 | C16 | C15 | 0.2° | 0.3° |
| C12 | C13 | C14 | H9 | 180.0° | 180.0° |
| C12 | C13 | C14 | N3 | 0.4° | 0.0° |
| C13 | C12 | C11 | H7 | 179.0° | 150.3° |
| C13 | C12 | C11 | H8 | 61.7° | 30.3° |
| C12 | C13 | C14 | H10 | 179.6° | 180.0° |
| C13 | C12 | C16 | H19 | 179.8° | 179.7° |
| C3 | C2 | C7 | C1 | 175.5° | 179.8° |
| C3 | C2 | C1 | C | 87.8° | 90.1° |
| C2 | C3 | C4 | H1 | 179.8° | 179.7° |
| C3 | C2 | C7 | H4 | 178.6° | 179.9° |
| C3 | C2 | C1 | H17 | 152.0° | 149.8° |
| C3 | C2 | C1 | H18 | 32.5° | 29.8° |
| O1 | C8 | C | C1 | 83.2° | 100.0° |
| O1 | C8 | C | N | 42.1° | 20.0° |
| O1 | C8 | C | H16 | 157.9° | 140.1° |
| C8 | C | C1 | C2 | 69.1° | 175.0° |
| C8 | C | C1 | N | 123.3° | 120.0° |
| C8 | C | C1 | H16 | 118.8° | 119.9° |
| C8 | C | N | H16 | 115.4° | 120.0° |
| C8 | C | N | H13 | 180.0° | 176.1° |
| C8 | C | N | H14 | 60.0° | 60.0° |
| C8 | C | C1 | H17 | 170.6° | 55.0° |
| C8 | C | C1 | H18 | 51.1° | 65.0° |
| C16 | C15 | N4 | N3 | 179.6° | 179.8° |
| C16 | C15 | N3 | C14 | 0.2° | 0.2° |
| C16 | C15 | N4 | H11 | 179.6° | 179.8° |
| C16 | C15 | N4 | H12 | 60.4° | 0.3° |
| C13 | C14 | N3 | C15 | 0.1° | 0.2° |
| C13 | C14 | N3 | H10 | 180.0° | 180.0° |
| C7 | C2 | C1 | C | 87.6° | 90.0° |
| C2 | C7 | C6 | H3 | 179.6° | 180.0° |
| C7 | C2 | C1 | H17 | 32.7° | 30.0° |
| C7 | C2 | C1 | H18 | 152.2° | 150.0° |
| C7 | C2 | C3 | H26 | 178.8° | 179.7° |
| C2 | C1 | C | H17 | 120.3° | 120.0° |
| C2 | C1 | C | H18 | 120.3° | 120.0° |
| C2 | C1 | C | N | 167.6° | 65.0° |
| C1 | C2 | C7 | H4 | 5.9° | 0.1° |
| C2 | C1 | C | H16 | 49.7° | 55.0° |
| C2 | C1 | H17 | H18 | 119.2° | 120.1° |
| C1 | C2 | C3 | H26 | 5.8° | 0.4° |
| C1 | C | N | H16 | 117.6° | 120.0° |
| C1 | C | N | H13 | 53.0° | 63.9° |
| C1 | C | N | H14 | 67.0° | 60.0° |
| C | C1 | H17 | H18 | 119.2° | 119.9° |
| C | N | H13 | H14 | 120.0° | 123.9° |
| N | C | C1 | H17 | 47.4° | 175.0° |
| N | C | C1 | H18 | 72.1° | 55.0° |
| N4 | C15 | N3 | C14 | 179.4° | 180.0° |
| C15 | N4 | H11 | H12 | 120.0° | 179.9° |
| N4 | C15 | C16 | H19 | 0.6° | 0.2° |
| C15 | N3 | C14 | H10 | 179.9° | 179.7° |
| N3 | C15 | N4 | H11 | 0.0° | 0.0° |
| N3 | C15 | N4 | H12 | 120.0° | 179.9° |
| N3 | C15 | C16 | H19 | 179.8° | 180.0° |
| N3 | C14 | C13 | H9 | 179.6° | 180.0° |
| H1 | C4 | C5 | H2 | 0.8° | 0.3° |
| H1 | C4 | C3 | H26 | 0.2° | 0.1° |
| H2 | C5 | C6 | H3 | 0.6° | 0.0° |
| H3 | C6 | C7 | H4 | 0.5° | 0.0° |
| H5 | N2 | C11 | H7 | 27.4° | 120.0° |
| H5 | N2 | C11 | H8 | 146.7° | 120.0° |
| H6 | C9 | C17 | H20 | 22.3° | 100.0° |
| H6 | C9 | C17 | H21 | 143.8° | 23.2° |
| H9 | C13 | C14 | H10 | 0.4° | 0.0° |
| H13 | N | C | H16 | 64.6° | 56.1° |
| H14 | N | C | H16 | 175.4° | 180.0° |
| H16 | C | C1 | H17 | 70.5° | 65.0° |
| H16 | C | C1 | H18 | 170.0° | 175.0° |
| H20 | C17 | C18 | H22 | 86.0° | 35.6° |
| H20 | C17 | C18 | H23 | 35.8° | 88.2° |
| H21 | C17 | C18 | H22 | 35.5° | 158.9° |
| H21 | C17 | C18 | H23 | 157.3° | 35.1° |
| H22 | C18 | C19 | H24 | 34.3° | 160.1° |
| H22 | C18 | C19 | H25 | 87.8° | 37.8° |
| H23 | C18 | C19 | H24 | 156.1° | 36.1° |
| H23 | C18 | C19 | H25 | 34.0° | 86.2° |
