D60
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | N2 | doub | 1.31Å | 1.33Å | Aromatic |
| C9 | C1 | sing | 1.41Å | 1.32Å | Aromatic |
| N2 | N1 | sing | 1.40Å | 1.25Å | Aromatic |
| C7 | C5 | doub | 1.36Å | 1.40Å | Aromatic |
| C7 | C2 | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.48Å | 1.33Å | |
| C1 | C8 | doub | 1.37Å | 1.33Å | Aromatic |
| C2 | C6 | doub | 1.40Å | 1.38Å | Aromatic |
| N1 | C10 | sing | 1.46Å | 1.49Å | |
| N1 | C8 | sing | 1.35Å | 1.33Å | Aromatic |
| O1 | C11 | doub | 1.22Å | 1.24Å | |
| C3 | C11 | sing | 1.47Å | 1.41Å | |
| C3 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C11 | O2 | sing | 1.35Å | 1.26Å | |
| C6 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C12 | sing | 1.51Å | 1.40Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| F2 | C16 | sing | 1.35Å | 1.35Å | |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C22 | N3 | sing | 1.35Å | 1.34Å | Aromatic |
| C22 | C21 | doub | 1.37Å | 1.33Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.54Å | |
| O3 | C14 | doub | 1.21Å | 1.23Å | |
| C14 | C15 | sing | 1.47Å | 1.41Å | |
| N3 | N4 | sing | 1.40Å | 1.30Å | Aromatic |
| C15 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C18 | C21 | sing | 1.48Å | 1.34Å | |
| C18 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | C23 | sing | 1.41Å | 1.34Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | F1 | sing | 1.35Å | 1.32Å | |
| N4 | C23 | doub | 1.31Å | 1.34Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| O2 | H9 | sing | 0.97Å | 0.95Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.08Å | 1.08Å | |
| N3 | H17 | sing | 0.97Å | 1.00Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C9 | C1 | 105.3° | 108.1° |
| C9 | N2 | N1 | 110.4° | 108.6° |
| N2 | C9 | H5 | 127.3° | 126.0° |
| C9 | C1 | C2 | 125.5° | 126.2° |
| C9 | C1 | C8 | 109.1° | 107.5° |
| C1 | C9 | H5 | 127.4° | 126.0° |
| N2 | N1 | C10 | 124.7° | 125.9° |
| N2 | N1 | C8 | 109.4° | 108.3° |
| C5 | C7 | C2 | 119.1° | 120.1° |
| C7 | C5 | C3 | 121.4° | 120.1° |
| C5 | C7 | H7 | 120.4° | 120.0° |
| C7 | C5 | H8 | 119.3° | 119.9° |
| C7 | C2 | C1 | 121.3° | 120.0° |
| C7 | C2 | C6 | 120.2° | 120.1° |
| C2 | C7 | H7 | 120.5° | 119.9° |
| C5 | C3 | C11 | 116.9° | 120.0° |
| C5 | C3 | C4 | 118.5° | 119.9° |
| C3 | C5 | H8 | 119.3° | 119.9° |
| C2 | C1 | C8 | 125.2° | 126.2° |
| C1 | C2 | C6 | 118.5° | 120.0° |
| C1 | C8 | N1 | 105.9° | 107.6° |
| C1 | C8 | H4 | 127.1° | 126.2° |
| C2 | C6 | C4 | 121.1° | 119.9° |
| C2 | C6 | H6 | 119.5° | 120.0° |
| C10 | N1 | C8 | 125.9° | 125.9° |
| N1 | C10 | H1 | 109.5° | 109.5° |
| N1 | C10 | H2 | 109.5° | 109.5° |
| N1 | C10 | H3 | 109.5° | 109.5° |
| N1 | C8 | H4 | 127.1° | 126.2° |
| O1 | C11 | C3 | 118.2° | 120.0° |
| O1 | C11 | O2 | 118.8° | 120.0° |
| C11 | C3 | C4 | 124.6° | 120.0° |
| C3 | C11 | O2 | 123.0° | 120.0° |
| C3 | C4 | C6 | 119.6° | 119.9° |
| C3 | C4 | C12 | 124.4° | 120.1° |
| C11 | O2 | H9 | 109.5° | 117.0° |
| C6 | C4 | C12 | 115.9° | 120.0° |
| C4 | C6 | H6 | 119.4° | 120.1° |
| C4 | C12 | C13 | 112.1° | 109.4° |
| C4 | C12 | H10 | 108.8° | 109.5° |
| C4 | C12 | H11 | 108.8° | 109.4° |
| C12 | C13 | C14 | 109.9° | 109.5° |
| C13 | C12 | H10 | 108.8° | 109.5° |
| C13 | C12 | H11 | 108.8° | 109.5° |
| C12 | C13 | H12 | 109.4° | 109.5° |
| C12 | C13 | H13 | 109.4° | 109.5° |
| F2 | C16 | C17 | 119.7° | 120.0° |
| F2 | C16 | C15 | 119.0° | 120.1° |
| C17 | C16 | C15 | 121.3° | 119.9° |
| C16 | C17 | C18 | 120.5° | 120.1° |
| C16 | C17 | H15 | 119.7° | 119.9° |
| C16 | C15 | C14 | 116.8° | 120.1° |
| C16 | C15 | C19 | 118.3° | 119.8° |
| C17 | C18 | C21 | 119.9° | 119.9° |
| C17 | C18 | C20 | 118.9° | 120.2° |
| C18 | C17 | H15 | 119.8° | 120.0° |
| N3 | C22 | C21 | 106.2° | 107.6° |
| C22 | N3 | N4 | 109.8° | 108.3° |
| N3 | C22 | H16 | 126.9° | 126.2° |
| C22 | N3 | H17 | 125.1° | 125.8° |
| C22 | C21 | C18 | 124.9° | 126.3° |
| C22 | C21 | C23 | 108.8° | 107.5° |
| C21 | C22 | H16 | 126.9° | 126.2° |
| C13 | C14 | O3 | 119.9° | 120.0° |
| C13 | C14 | C15 | 120.1° | 120.0° |
| C14 | C13 | H12 | 109.4° | 109.5° |
| C14 | C13 | H13 | 109.4° | 109.4° |
| O3 | C14 | C15 | 120.0° | 119.9° |
| C14 | C15 | C19 | 124.9° | 120.1° |
| N3 | N4 | C23 | 108.0° | 108.5° |
| N4 | N3 | H17 | 125.1° | 125.9° |
| C15 | C19 | C20 | 120.5° | 119.9° |
| C15 | C19 | F1 | 121.4° | 120.0° |
| C21 | C18 | C20 | 121.2° | 119.9° |
| C18 | C21 | C23 | 126.3° | 126.3° |
| C18 | C20 | C19 | 120.5° | 120.1° |
| C18 | C20 | H14 | 119.7° | 119.9° |
| C21 | C23 | N4 | 107.2° | 108.1° |
| C21 | C23 | H18 | 126.4° | 126.0° |
| C20 | C19 | F1 | 118.1° | 120.1° |
| C19 | C20 | H14 | 119.8° | 120.0° |
| N4 | C23 | H18 | 126.4° | 126.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H1 | C10 | H3 | 109.4° | 109.4° |
| H2 | C10 | H3 | 109.5° | 109.4° |
| H10 | C12 | H11 | 109.5° | 109.5° |
| H12 | C13 | H13 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C9 | C1 | H5 | 180.0° | 179.8° |
| N2 | C9 | C1 | C2 | 177.2° | 180.0° |
| N2 | C9 | C1 | C8 | 1.8° | 0.0° |
| C9 | N2 | N1 | C10 | 179.7° | 179.9° |
| C9 | N2 | N1 | C8 | 0.3° | 0.3° |
| C1 | C9 | N2 | N1 | 0.9° | 0.2° |
| C9 | C1 | C2 | C7 | 6.9° | 179.7° |
| C9 | C1 | C2 | C8 | 174.6° | 180.0° |
| C9 | C1 | C2 | C6 | 169.9° | 0.1° |
| C9 | C1 | C8 | N1 | 2.0° | 0.2° |
| C9 | C1 | C8 | H4 | 178.0° | 179.9° |
| N2 | N1 | C8 | C1 | 1.5° | 0.3° |
| N2 | N1 | C10 | C8 | 179.9° | 179.7° |
| N2 | N1 | C10 | H1 | 0.0° | 90.3° |
| N2 | N1 | C10 | H2 | 120.0° | 29.7° |
| N2 | N1 | C10 | H3 | 120.0° | 149.7° |
| N2 | N1 | C8 | H4 | 178.6° | 179.8° |
| N1 | N2 | C9 | H5 | 179.1° | 180.0° |
| C5 | C7 | C2 | H7 | 180.0° | 179.9° |
| C7 | C5 | C3 | H8 | 180.0° | 180.0° |
| C5 | C7 | C2 | C1 | 178.0° | 180.0° |
| C5 | C7 | C2 | C6 | 1.3° | 0.2° |
| C7 | C5 | C3 | C11 | 179.7° | 179.9° |
| C7 | C5 | C3 | C4 | 1.3° | 0.3° |
| C2 | C7 | C5 | C3 | 1.0° | 0.1° |
| C7 | C2 | C1 | C6 | 176.8° | 179.8° |
| C7 | C2 | C1 | C8 | 178.4° | 0.3° |
| C7 | C2 | C6 | C4 | 1.9° | 0.2° |
| C7 | C2 | C6 | H6 | 178.1° | 179.8° |
| C2 | C7 | C5 | H8 | 179.0° | 180.0° |
| C5 | C3 | C11 | O1 | 31.7° | 174.5° |
| C5 | C3 | C11 | C4 | 179.0° | 179.8° |
| C5 | C3 | C11 | O2 | 145.5° | 5.6° |
| C5 | C3 | C4 | C6 | 1.8° | 0.3° |
| C5 | C3 | C4 | C12 | 177.7° | 179.7° |
| C3 | C5 | C7 | H7 | 179.0° | 180.0° |
| C2 | C1 | C8 | N1 | 177.4° | 179.8° |
| C1 | C2 | C6 | C4 | 178.7° | 180.0° |
| C2 | C1 | C8 | H4 | 2.6° | 0.1° |
| C2 | C1 | C9 | H5 | 2.9° | 0.2° |
| C1 | C2 | C6 | H6 | 1.3° | 0.0° |
| C1 | C2 | C7 | H7 | 2.0° | 0.0° |
| C8 | C1 | C2 | C6 | 4.8° | 179.9° |
| C1 | C8 | N1 | C10 | 178.6° | 180.0° |
| C1 | C8 | N1 | H4 | 180.0° | 179.9° |
| C8 | C1 | C9 | H5 | 178.2° | 179.8° |
| C2 | C6 | C4 | C3 | 2.1° | 0.0° |
| C2 | C6 | C4 | H6 | 180.0° | 180.0° |
| C2 | C6 | C4 | C12 | 178.4° | 180.0° |
| C6 | C2 | C7 | H7 | 178.7° | 179.8° |
| N1 | C10 | H1 | H2 | 120.0° | 120.1° |
| N1 | C10 | H1 | H3 | 120.0° | 120.0° |
| N1 | C10 | H2 | H3 | 120.0° | 120.0° |
| C10 | N1 | C8 | H4 | 1.3° | 0.0° |
| C8 | N1 | C10 | H1 | 179.9° | 90.0° |
| C8 | N1 | C10 | H2 | 60.1° | 150.0° |
| C8 | N1 | C10 | H3 | 59.9° | 30.0° |
| O1 | C11 | C3 | O2 | 177.2° | 179.9° |
| O1 | C11 | C3 | C4 | 147.3° | 5.7° |
| O1 | C11 | O2 | H9 | 0.0° | 0.0° |
| C11 | C3 | C4 | C6 | 179.3° | 180.0° |
| C11 | C3 | C4 | C12 | 3.4° | 0.1° |
| C11 | C3 | C5 | H8 | 0.3° | 0.0° |
| C3 | C11 | O2 | H9 | 177.2° | 180.0° |
| C4 | C3 | C11 | O2 | 35.5° | 174.2° |
| C3 | C4 | C6 | C12 | 176.2° | 180.0° |
| C3 | C4 | C12 | C13 | 116.6° | 81.7° |
| C3 | C4 | C6 | H6 | 177.9° | 180.0° |
| C4 | C3 | C5 | H8 | 178.7° | 179.8° |
| C3 | C4 | C12 | H10 | 3.8° | 158.2° |
| C3 | C4 | C12 | H11 | 123.1° | 38.2° |
| C6 | C4 | C12 | C13 | 67.4° | 98.3° |
| C6 | C4 | C12 | H10 | 172.2° | 21.8° |
| C6 | C4 | C12 | H11 | 53.0° | 141.8° |
| C4 | C12 | C13 | H10 | 120.4° | 120.0° |
| C4 | C12 | C13 | H11 | 120.4° | 119.9° |
| C4 | C12 | C13 | C14 | 67.9° | 180.0° |
| C12 | C4 | C6 | H6 | 1.6° | 0.0° |
| C4 | C12 | H10 | H11 | 118.8° | 120.0° |
| C4 | C12 | C13 | H12 | 172.0° | 60.0° |
| C4 | C12 | C13 | H13 | 52.2° | 60.1° |
| C12 | C13 | C14 | H12 | 120.1° | 120.1° |
| C12 | C13 | C14 | H13 | 120.1° | 120.0° |
| C12 | C13 | C14 | O3 | 116.7° | 0.0° |
| C12 | C13 | C14 | C15 | 61.1° | 180.0° |
| C13 | C12 | H10 | H11 | 118.8° | 120.0° |
| C12 | C13 | H12 | H13 | 119.8° | 120.0° |
| F2 | C16 | C17 | C15 | 179.9° | 180.0° |
| F2 | C16 | C17 | C18 | 179.3° | 180.0° |
| F2 | C16 | C15 | C14 | 0.5° | 0.0° |
| F2 | C16 | C15 | C19 | 179.8° | 179.7° |
| F2 | C16 | C17 | H15 | 0.7° | 0.0° |
| C16 | C17 | C18 | H15 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 179.4° | 180.0° |
| C17 | C16 | C15 | C19 | 0.2° | 0.3° |
| C16 | C17 | C18 | C21 | 179.9° | 180.0° |
| C16 | C17 | C18 | C20 | 1.1° | 0.3° |
| C15 | C16 | C17 | C18 | 0.7° | 0.0° |
| C16 | C15 | C14 | C13 | 145.7° | 0.2° |
| C16 | C15 | C14 | O3 | 32.1° | 179.7° |
| C16 | C15 | C14 | C19 | 179.2° | 179.7° |
| C16 | C15 | C19 | C20 | 0.7° | 0.3° |
| C16 | C15 | C19 | F1 | 179.9° | 179.7° |
| C15 | C16 | C17 | H15 | 179.3° | 180.0° |
| C17 | C18 | C21 | C22 | 4.9° | 179.8° |
| C17 | C18 | C21 | C20 | 178.8° | 179.7° |
| C17 | C18 | C21 | C23 | 174.4° | 0.0° |
| C17 | C18 | C20 | C19 | 0.5° | 0.3° |
| C17 | C18 | C20 | H14 | 179.5° | 179.8° |
| N3 | C22 | C21 | H16 | 180.0° | 179.9° |
| C22 | N3 | N4 | H17 | 180.0° | 180.0° |
| N3 | C22 | C21 | C18 | 179.4° | 180.0° |
| N3 | C22 | C21 | C23 | 0.1° | 0.2° |
| C22 | N3 | N4 | C23 | 0.1° | 0.3° |
| C21 | C22 | N3 | N4 | 0.0° | 0.1° |
| C22 | C21 | C18 | C23 | 179.3° | 179.8° |
| C22 | C21 | C18 | C20 | 176.3° | 0.1° |
| C22 | C21 | C23 | N4 | 0.1° | 0.4° |
| C21 | C22 | N3 | H17 | 180.0° | 180.0° |
| C22 | C21 | C23 | H18 | 179.9° | 179.8° |
| C13 | C14 | O3 | C15 | 177.8° | 180.0° |
| C13 | C14 | C15 | C19 | 35.0° | 180.0° |
| C14 | C13 | C12 | H10 | 52.5° | 60.0° |
| C14 | C13 | C12 | H11 | 171.8° | 60.1° |
| C14 | C13 | H12 | H13 | 119.8° | 120.0° |
| O3 | C14 | C15 | C19 | 147.1° | 0.0° |
| O3 | C14 | C13 | H12 | 123.2° | 120.0° |
| O3 | C14 | C13 | H13 | 3.4° | 120.0° |
| C14 | C15 | C19 | C20 | 179.9° | 180.0° |
| C14 | C15 | C19 | F1 | 0.7° | 0.0° |
| C15 | C14 | C13 | H12 | 59.0° | 60.0° |
| C15 | C14 | C13 | H13 | 178.8° | 60.0° |
| N3 | N4 | C23 | C21 | 0.1° | 0.4° |
| N4 | N3 | C22 | H16 | 180.0° | 180.0° |
| N3 | N4 | C23 | H18 | 179.9° | 179.8° |
| C15 | C19 | C20 | C18 | 0.4° | 0.0° |
| C15 | C19 | C20 | F1 | 179.4° | 180.0° |
| C15 | C19 | C20 | H14 | 179.6° | 179.9° |
| C21 | C18 | C20 | C19 | 179.3° | 180.0° |
| C18 | C21 | C23 | N4 | 179.3° | 179.8° |
| C21 | C18 | C20 | H14 | 0.7° | 0.1° |
| C21 | C18 | C17 | H15 | 0.1° | 0.0° |
| C18 | C21 | C22 | H16 | 0.6° | 0.1° |
| C18 | C21 | C23 | H18 | 0.7° | 0.0° |
| C20 | C18 | C21 | C23 | 4.4° | 179.7° |
| C18 | C20 | C19 | H14 | 180.0° | 179.9° |
| C18 | C20 | C19 | F1 | 179.8° | 179.9° |
| C20 | C18 | C17 | H15 | 178.9° | 179.7° |
| C21 | C23 | N4 | H18 | 180.0° | 179.8° |
| C23 | C21 | C22 | H16 | 179.9° | 179.7° |
| F1 | C19 | C20 | H14 | 0.2° | 0.0° |
| C23 | N4 | N3 | H17 | 179.9° | 179.7° |
| H1 | C10 | H2 | H3 | 120.0° | 120.0° |
| H7 | C7 | C5 | H8 | 1.0° | 0.0° |
| H10 | C12 | C13 | H12 | 67.6° | 180.0° |
| H10 | C12 | C13 | H13 | 172.6° | 60.0° |
| H11 | C12 | C13 | H12 | 51.7° | 59.9° |
| H11 | C12 | C13 | H13 | 68.2° | 180.0° |
| H16 | C22 | N3 | H17 | 0.0° | 0.1° |
