C74
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C14 | sing | 1.43Å | 1.44Å | |
| O4 | C15 | sing | 1.43Å | 1.43Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C13 | N4 | sing | 1.47Å | 1.42Å | |
| C16 | N4 | sing | 1.47Å | 1.43Å | |
| N4 | C1 | sing | 1.37Å | 1.43Å | |
| N1 | C1 | doub | 1.34Å | 1.35Å | Aromatic |
| N1 | C2 | sing | 1.31Å | 1.31Å | Aromatic |
| C1 | C4 | sing | 1.46Å | 1.47Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.36Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.44Å | Aromatic |
| C2 | N2 | doub | 1.33Å | 1.34Å | Aromatic |
| C12 | C7 | doub | 1.41Å | 1.41Å | Aromatic |
| O1 | C9 | sing | 1.36Å | 1.41Å | |
| O1 | S1 | sing | 1.66Å | 1.52Å | |
| C9 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| O2 | S1 | doub | 1.66Å | 1.57Å | |
| C4 | C6 | sing | 1.40Å | 1.52Å | Aromatic |
| C4 | C3 | doub | 1.42Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.41Å | 1.43Å | Aromatic |
| C7 | C6 | sing | 1.41Å | 1.55Å | |
| S1 | O3 | doub | 1.66Å | 1.52Å | |
| N2 | C3 | sing | 1.32Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.49Å | 1.37Å | Aromatic |
| C3 | N3 | sing | 1.39Å | 1.37Å | Aromatic |
| C5 | N3 | sing | 1.32Å | 1.37Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | O4 | C15 | 111.7° | 113.7° |
| O4 | C14 | C13 | 111.7° | 109.3° |
| O4 | C14 | H14 | 108.9° | 109.5° |
| O4 | C14 | H15 | 108.9° | 109.6° |
| O4 | C15 | C16 | 112.5° | 109.2° |
| O4 | C15 | H7 | 108.7° | 109.5° |
| O4 | C15 | H8 | 108.7° | 109.5° |
| C14 | C13 | N4 | 112.6° | 109.3° |
| C14 | C13 | H5 | 108.7° | 109.5° |
| C14 | C13 | H6 | 108.7° | 109.6° |
| C13 | C14 | H14 | 108.9° | 109.5° |
| C13 | C14 | H15 | 108.9° | 109.5° |
| C15 | C16 | N4 | 114.4° | 109.3° |
| C16 | C15 | H7 | 108.7° | 109.5° |
| C16 | C15 | H8 | 108.7° | 109.5° |
| C15 | C16 | H16 | 108.2° | 109.5° |
| C15 | C16 | H17 | 108.2° | 109.5° |
| C13 | N4 | C16 | 115.8° | 110.8° |
| C13 | N4 | C1 | 121.4° | 111.0° |
| N4 | C13 | H5 | 108.7° | 109.5° |
| N4 | C13 | H6 | 108.7° | 109.5° |
| C16 | N4 | C1 | 122.8° | 111.0° |
| N4 | C16 | H16 | 108.3° | 109.5° |
| N4 | C16 | H17 | 108.2° | 109.5° |
| N4 | C1 | N1 | 117.2° | 121.2° |
| N4 | C1 | C4 | 124.0° | 121.3° |
| C1 | N1 | C2 | 122.5° | 120.7° |
| N1 | C1 | C4 | 118.7° | 117.5° |
| N1 | C2 | N2 | 121.4° | 123.8° |
| N1 | C2 | H9 | 119.3° | 118.1° |
| C1 | C4 | C6 | 137.9° | 134.7° |
| C1 | C4 | C3 | 116.7° | 118.0° |
| C10 | C11 | C12 | 120.0° | 120.5° |
| C11 | C10 | C9 | 120.3° | 120.4° |
| C11 | C10 | H4 | 119.8° | 119.8° |
| C10 | C11 | H10 | 120.0° | 119.7° |
| C11 | C12 | C7 | 120.3° | 119.9° |
| C12 | C11 | H10 | 120.0° | 119.8° |
| C11 | C12 | H11 | 119.8° | 120.0° |
| C10 | C9 | O1 | 118.7° | 119.9° |
| C10 | C9 | C8 | 120.2° | 120.1° |
| C9 | C10 | H4 | 119.9° | 119.8° |
| C2 | N2 | C3 | 121.1° | 121.7° |
| N2 | C2 | H9 | 119.3° | 118.1° |
| C12 | C7 | C8 | 120.0° | 119.5° |
| C12 | C7 | C6 | 117.5° | 120.3° |
| C7 | C12 | H11 | 119.9° | 120.0° |
| C9 | O1 | S1 | 116.1° | 117.0° |
| O1 | C9 | C8 | 121.1° | 120.0° |
| O1 | S1 | O2 | 109.7° | 120.0° |
| O1 | S1 | O3 | 111.1° | 120.0° |
| C9 | C8 | C7 | 119.3° | 119.5° |
| C9 | C8 | H3 | 120.4° | 120.2° |
| O2 | S1 | O3 | 110.1° | 120.0° |
| C6 | C4 | C3 | 105.4° | 107.3° |
| C4 | C6 | C7 | 131.2° | 127.1° |
| C4 | C6 | C5 | 104.6° | 105.9° |
| C4 | C3 | N2 | 119.6° | 118.2° |
| C4 | C3 | N3 | 109.8° | 108.6° |
| C8 | C7 | C6 | 122.5° | 120.2° |
| C7 | C8 | H3 | 120.4° | 120.3° |
| C7 | C6 | C5 | 124.2° | 127.0° |
| N2 | C3 | N3 | 130.6° | 133.2° |
| C6 | C5 | N3 | 111.0° | 107.9° |
| C6 | C5 | H2 | 124.5° | 126.0° |
| C3 | N3 | C5 | 109.2° | 110.4° |
| C3 | N3 | H1 | 125.4° | 124.8° |
| C5 | N3 | H1 | 125.4° | 124.8° |
| N3 | C5 | H2 | 124.5° | 126.1° |
| H5 | C13 | H6 | 109.5° | 109.5° |
| H7 | C15 | H8 | 109.5° | 109.6° |
| H14 | C14 | H15 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C14 | C13 | H14 | 120.3° | 119.9° |
| O4 | C14 | C13 | H15 | 120.3° | 120.0° |
| C14 | O4 | C15 | C16 | 53.1° | 58.7° |
| O4 | C14 | C13 | N4 | 52.0° | 56.8° |
| O4 | C14 | C13 | H5 | 68.4° | 63.0° |
| O4 | C14 | C13 | H6 | 172.4° | 176.8° |
| C14 | O4 | C15 | H7 | 67.3° | 178.6° |
| C14 | O4 | C15 | H8 | 173.6° | 61.2° |
| O4 | C14 | H14 | H15 | 119.0° | 120.1° |
| C15 | O4 | C14 | C13 | 56.3° | 58.7° |
| O4 | C15 | C16 | H7 | 120.4° | 119.9° |
| O4 | C15 | C16 | H8 | 120.5° | 119.9° |
| O4 | C15 | C16 | N4 | 46.0° | 56.8° |
| O4 | C15 | H7 | H8 | 118.6° | 120.2° |
| C15 | O4 | C14 | H14 | 176.6° | 178.6° |
| C15 | O4 | C14 | H15 | 64.0° | 61.3° |
| O4 | C15 | C16 | H16 | 166.7° | 63.1° |
| O4 | C15 | C16 | H17 | 74.8° | 176.8° |
| C14 | C13 | N4 | H5 | 120.5° | 119.9° |
| C14 | C13 | N4 | H6 | 120.5° | 120.0° |
| C14 | C13 | N4 | C16 | 45.5° | 58.6° |
| C14 | C13 | N4 | C1 | 132.8° | 177.6° |
| C14 | C13 | H5 | H6 | 118.6° | 120.2° |
| C13 | C14 | H14 | H15 | 119.0° | 120.1° |
| C15 | C16 | N4 | C13 | 42.8° | 58.6° |
| C15 | C16 | N4 | H16 | 120.7° | 119.9° |
| C15 | C16 | N4 | H17 | 120.7° | 120.0° |
| C15 | C16 | N4 | C1 | 135.4° | 177.6° |
| C16 | C15 | H7 | H8 | 118.6° | 120.1° |
| C15 | C16 | H16 | H17 | 117.7° | 120.1° |
| C13 | N4 | C16 | C1 | 178.2° | 123.8° |
| C13 | N4 | C1 | N1 | 40.3° | 65.7° |
| C13 | N4 | C1 | C4 | 140.5° | 114.3° |
| N4 | C13 | H5 | H6 | 118.5° | 120.1° |
| N4 | C13 | C14 | H14 | 172.3° | 176.8° |
| N4 | C13 | C14 | H15 | 68.3° | 63.2° |
| C13 | N4 | C16 | H16 | 163.5° | 61.3° |
| C13 | N4 | C16 | H17 | 77.9° | 178.6° |
| C16 | N4 | C1 | N1 | 137.8° | 58.0° |
| C16 | N4 | C1 | C4 | 41.4° | 122.0° |
| C16 | N4 | C13 | H5 | 75.0° | 61.4° |
| C16 | N4 | C13 | H6 | 165.9° | 178.6° |
| N4 | C16 | C15 | H7 | 74.5° | 176.8° |
| N4 | C16 | C15 | H8 | 166.4° | 63.1° |
| N4 | C16 | H16 | H17 | 117.8° | 120.1° |
| N4 | C1 | N1 | C4 | 179.2° | 180.0° |
| N4 | C1 | N1 | C2 | 179.5° | 180.0° |
| N4 | C1 | C4 | C6 | 0.2° | 0.0° |
| N4 | C1 | C4 | C3 | 179.3° | 180.0° |
| C1 | N4 | C13 | H5 | 106.8° | 62.5° |
| C1 | N4 | C13 | H6 | 12.3° | 57.6° |
| C1 | N4 | C16 | H16 | 14.7° | 62.5° |
| C1 | N4 | C16 | H17 | 103.8° | 57.6° |
| C1 | N1 | C2 | N2 | 0.2° | 0.0° |
| N1 | C1 | C4 | C6 | 179.4° | 180.0° |
| N1 | C1 | C4 | C3 | 0.1° | 0.0° |
| C1 | N1 | C2 | H9 | 179.8° | 180.0° |
| C2 | N1 | C1 | C4 | 0.2° | 0.0° |
| N1 | C2 | N2 | H9 | 180.0° | 180.0° |
| N1 | C2 | N2 | C3 | 0.0° | 0.1° |
| C1 | C4 | C6 | C3 | 179.6° | 180.0° |
| C1 | C4 | C6 | C7 | 1.9° | 0.1° |
| C1 | C4 | C3 | N2 | 0.0° | 0.0° |
| C1 | C4 | C6 | C5 | 180.0° | 180.0° |
| C1 | C4 | C3 | N3 | 179.9° | 180.0° |
| C10 | C11 | C12 | H10 | 180.0° | 179.1° |
| C11 | C10 | C9 | H4 | 180.0° | 179.4° |
| C10 | C11 | C12 | C7 | 0.5° | 0.6° |
| C11 | C10 | C9 | O1 | 179.8° | 179.4° |
| C11 | C10 | C9 | C8 | 0.0° | 0.6° |
| C10 | C11 | C12 | H11 | 179.5° | 180.0° |
| C12 | C11 | C10 | C9 | 0.2° | 0.9° |
| C11 | C12 | C7 | H11 | 180.0° | 179.4° |
| C11 | C12 | C7 | C8 | 0.7° | 0.0° |
| C11 | C12 | C7 | C6 | 179.5° | 179.7° |
| C12 | C11 | C10 | H4 | 179.8° | 179.7° |
| C10 | C9 | O1 | C8 | 179.8° | 180.0° |
| C10 | C9 | O1 | S1 | 64.1° | 90.0° |
| C10 | C9 | C8 | C7 | 0.2° | 0.0° |
| C10 | C9 | C8 | H3 | 179.8° | 179.9° |
| C9 | C10 | C11 | H10 | 179.8° | 180.0° |
| C2 | N2 | C3 | C4 | 0.1° | 0.1° |
| C2 | N2 | C3 | N3 | 180.0° | 180.0° |
| C12 | C7 | C8 | C9 | 0.6° | 0.3° |
| C12 | C7 | C6 | C4 | 71.5° | 56.0° |
| C12 | C7 | C8 | C6 | 178.7° | 179.7° |
| C12 | C7 | C6 | C5 | 106.3° | 123.9° |
| C12 | C7 | C8 | H3 | 179.4° | 179.8° |
| C7 | C12 | C11 | H10 | 179.5° | 179.7° |
| C9 | O1 | S1 | O2 | 88.5° | 120.1° |
| O1 | C9 | C8 | C7 | 179.6° | 180.0° |
| C9 | O1 | S1 | O3 | 33.5° | 59.9° |
| O1 | C9 | C8 | H3 | 0.4° | 0.1° |
| O1 | C9 | C10 | H4 | 0.2° | 0.0° |
| S1 | O1 | C9 | C8 | 116.0° | 89.9° |
| O1 | S1 | O2 | O3 | 122.6° | 180.0° |
| C9 | C8 | C7 | H3 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 179.2° | 180.0° |
| C8 | C9 | C10 | H4 | 180.0° | 180.0° |
| C4 | C6 | C7 | C8 | 109.7° | 124.3° |
| C4 | C6 | C7 | C5 | 177.8° | 179.9° |
| C6 | C4 | C3 | N2 | 179.7° | 180.0° |
| C6 | C4 | C3 | N3 | 0.3° | 0.0° |
| C4 | C6 | C5 | N3 | 0.4° | 0.0° |
| C4 | C6 | C5 | H2 | 179.6° | 180.0° |
| C3 | C4 | C6 | C7 | 178.5° | 179.9° |
| C4 | C3 | N2 | N3 | 179.9° | 179.9° |
| C3 | C4 | C6 | C5 | 0.4° | 0.0° |
| C4 | C3 | N3 | C5 | 0.1° | 0.0° |
| C4 | C3 | N3 | H1 | 179.9° | 180.0° |
| C8 | C7 | C6 | C5 | 72.5° | 55.8° |
| C8 | C7 | C12 | H11 | 179.3° | 179.4° |
| C7 | C6 | C5 | N3 | 178.6° | 179.9° |
| C7 | C6 | C5 | H2 | 1.4° | 0.1° |
| C6 | C7 | C8 | H3 | 0.7° | 0.1° |
| C6 | C7 | C12 | H11 | 0.5° | 0.3° |
| N2 | C3 | N3 | C5 | 179.9° | 180.0° |
| N2 | C3 | N3 | H1 | 0.1° | 0.1° |
| C3 | N2 | C2 | H9 | 180.0° | 180.0° |
| C6 | C5 | N3 | C3 | 0.2° | 0.0° |
| C6 | C5 | N3 | H2 | 180.0° | 180.0° |
| C6 | C5 | N3 | H1 | 179.8° | 180.0° |
| C3 | N3 | C5 | H1 | 180.0° | 180.0° |
| C3 | N3 | C5 | H2 | 179.8° | 180.0° |
| H1 | N3 | C5 | H2 | 0.2° | 0.0° |
| H4 | C10 | C11 | H10 | 0.2° | 0.6° |
| H5 | C13 | C14 | H14 | 51.9° | 56.9° |
| H5 | C13 | C14 | H15 | 171.2° | 176.9° |
| H6 | C13 | C14 | H14 | 67.2° | 63.3° |
| H6 | C13 | C14 | H15 | 52.1° | 56.8° |
| H7 | C15 | C16 | H16 | 46.3° | 56.8° |
| H7 | C15 | C16 | H17 | 164.8° | 63.2° |
| H8 | C15 | C16 | H16 | 72.8° | 177.0° |
| H8 | C15 | C16 | H17 | 45.7° | 56.9° |
| H10 | C11 | C12 | H11 | 0.5° | 0.9° |
