372
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | N9 | sing | 1.47Å | 1.49Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| N9 | C3 | sing | 1.40Å | 1.37Å | |
| N9 | C8 | sing | 1.34Å | 1.36Å | |
| C3 | C2 | doub | 1.39Å | 1.50Å | Aromatic |
| C6 | N15 | sing | 1.40Å | 1.37Å | |
| C6 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
| C8 | O11 | doub | 1.21Å | 1.32Å | |
| C8 | C7 | sing | 1.51Å | 1.48Å | |
| N15 | C16 | sing | 1.35Å | 1.35Å | |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.51Å | 1.48Å | |
| C7 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | C13 | sing | 1.47Å | 1.47Å | |
| C16 | C18 | sing | 1.51Å | 1.52Å | |
| C16 | O17 | doub | 1.21Å | 1.25Å | |
| C13 | N14 | trip | 1.14Å | 1.16Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| C5 | H9 | sing | 1.08Å | 1.08Å | |
| N15 | H10 | sing | 0.97Å | 1.00Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N9 | C3 | 126.9° | 123.8° |
| C10 | N9 | C8 | 128.5° | 123.9° |
| N9 | C10 | H4 | 109.5° | 109.5° |
| N9 | C10 | H5 | 109.5° | 109.4° |
| N9 | C10 | H6 | 109.5° | 109.5° |
| C5 | C4 | C3 | 120.0° | 120.2° |
| C4 | C5 | C6 | 121.7° | 120.4° |
| C5 | C4 | H8 | 120.0° | 120.0° |
| C4 | C5 | H9 | 119.1° | 119.8° |
| C4 | C3 | N9 | 133.5° | 130.8° |
| C4 | C3 | C2 | 117.9° | 119.0° |
| C3 | C4 | H8 | 120.0° | 119.9° |
| C5 | C6 | N15 | 113.2° | 120.2° |
| C5 | C6 | C1 | 121.6° | 119.5° |
| C6 | C5 | H9 | 119.1° | 119.8° |
| C3 | N9 | C8 | 104.5° | 112.3° |
| N9 | C3 | C2 | 108.5° | 110.2° |
| N9 | C8 | O11 | 122.3° | 126.5° |
| N9 | C8 | C7 | 120.1° | 107.1° |
| C3 | C2 | C1 | 120.0° | 121.0° |
| C3 | C2 | C7 | 110.6° | 106.2° |
| N15 | C6 | C1 | 125.1° | 120.3° |
| C6 | N15 | C16 | 125.9° | 120.0° |
| C6 | N15 | H10 | 117.1° | 120.0° |
| C6 | C1 | C2 | 118.7° | 119.8° |
| C6 | C1 | H7 | 120.6° | 120.1° |
| O11 | C8 | C7 | 117.5° | 126.4° |
| C8 | C7 | C2 | 96.0° | 104.2° |
| C8 | C7 | C12 | 117.7° | 110.6° |
| C8 | C7 | H3 | 106.3° | 110.5° |
| N15 | C16 | C18 | 114.4° | 120.0° |
| N15 | C16 | O17 | 124.3° | 119.9° |
| C16 | N15 | H10 | 117.1° | 119.9° |
| C1 | C2 | C7 | 129.3° | 132.8° |
| C2 | C1 | H7 | 120.7° | 120.1° |
| C2 | C7 | C12 | 123.1° | 110.5° |
| C2 | C7 | H3 | 106.3° | 110.5° |
| C7 | C12 | C13 | 105.3° | 109.5° |
| C7 | C12 | H1 | 110.5° | 109.5° |
| C7 | C12 | H2 | 110.5° | 109.5° |
| C12 | C7 | H3 | 105.9° | 110.4° |
| C12 | C13 | N14 | 179.8° | 179.9° |
| C13 | C12 | H1 | 110.5° | 109.4° |
| C13 | C12 | H2 | 110.5° | 109.5° |
| C18 | C16 | O17 | 121.2° | 120.0° |
| C16 | C18 | H11 | 109.5° | 109.5° |
| C16 | C18 | H12 | 109.5° | 109.4° |
| C16 | C18 | H13 | 109.5° | 109.5° |
| H1 | C12 | H2 | 109.5° | 109.5° |
| H4 | C10 | H5 | 109.4° | 109.5° |
| H4 | C10 | H6 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.5° | 109.5° |
| H11 | C18 | H12 | 109.5° | 109.5° |
| H11 | C18 | H13 | 109.5° | 109.5° |
| H12 | C18 | H13 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | N9 | C3 | C4 | 0.6° | 0.0° |
| C10 | N9 | C3 | C8 | 179.4° | 180.0° |
| C10 | N9 | C3 | C2 | 179.6° | 180.0° |
| C10 | N9 | C8 | O11 | 1.0° | 0.0° |
| C10 | N9 | C8 | C7 | 176.6° | 179.9° |
| N9 | C10 | H4 | H5 | 120.0° | 119.9° |
| N9 | C10 | H4 | H6 | 120.0° | 120.0° |
| N9 | C10 | H5 | H6 | 120.0° | 120.0° |
| C5 | C4 | C3 | H8 | 180.0° | 179.8° |
| C4 | C5 | C6 | H9 | 180.0° | 179.7° |
| C5 | C4 | C3 | N9 | 177.4° | 179.9° |
| C5 | C4 | C3 | C2 | 1.5° | 0.1° |
| C4 | C5 | C6 | N15 | 178.5° | 180.0° |
| C4 | C5 | C6 | C1 | 0.0° | 0.4° |
| C3 | C4 | C5 | C6 | 1.0° | 0.3° |
| C4 | C3 | N9 | C2 | 179.0° | 180.0° |
| C4 | C3 | N9 | C8 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 1.0° | 0.0° |
| C4 | C3 | C2 | C7 | 177.1° | 179.9° |
| C3 | C4 | C5 | H9 | 179.0° | 180.0° |
| C5 | C6 | N15 | C1 | 178.4° | 179.6° |
| C5 | C6 | N15 | C16 | 177.7° | 147.1° |
| C5 | C6 | C1 | C2 | 0.6° | 0.3° |
| C5 | C6 | C1 | H7 | 179.5° | 179.8° |
| C6 | C5 | C4 | H8 | 179.0° | 180.0° |
| C5 | C6 | N15 | H10 | 2.3° | 32.9° |
| C3 | N9 | C8 | O11 | 178.4° | 179.9° |
| C3 | N9 | C8 | C7 | 4.0° | 0.1° |
| N9 | C3 | C2 | C1 | 178.2° | 180.0° |
| N9 | C3 | C2 | C7 | 2.0° | 0.1° |
| C3 | N9 | C10 | H4 | 180.0° | 90.0° |
| C3 | N9 | C10 | H5 | 60.0° | 150.1° |
| C3 | N9 | C10 | H6 | 60.0° | 30.0° |
| N9 | C3 | C4 | H8 | 2.5° | 0.2° |
| C8 | N9 | C3 | C2 | 1.0° | 0.0° |
| N9 | C8 | O11 | C7 | 177.6° | 179.8° |
| N9 | C8 | C7 | C2 | 4.9° | 0.1° |
| N9 | C8 | C7 | C12 | 137.5° | 118.6° |
| N9 | C8 | C7 | H3 | 104.1° | 118.8° |
| C8 | N9 | C10 | H4 | 0.7° | 90.1° |
| C8 | N9 | C10 | H5 | 119.3° | 29.9° |
| C8 | N9 | C10 | H6 | 120.7° | 149.9° |
| C3 | C2 | C1 | C6 | 0.0° | 0.1° |
| C3 | C2 | C7 | C8 | 3.7° | 0.1° |
| C3 | C2 | C1 | C7 | 175.4° | 179.9° |
| C3 | C2 | C7 | C12 | 132.5° | 118.6° |
| C3 | C2 | C7 | H3 | 105.3° | 118.9° |
| C3 | C2 | C1 | H7 | 180.0° | 180.0° |
| C2 | C3 | C4 | H8 | 178.5° | 179.8° |
| C6 | N15 | C16 | H10 | 180.0° | 180.0° |
| N15 | C6 | C1 | C2 | 178.9° | 179.9° |
| C6 | N15 | C16 | C18 | 174.2° | 174.8° |
| C6 | N15 | C16 | O17 | 3.0° | 5.3° |
| N15 | C6 | C1 | H7 | 1.2° | 0.2° |
| N15 | C6 | C5 | H9 | 1.5° | 0.3° |
| C1 | C6 | N15 | C16 | 3.9° | 33.3° |
| C6 | C1 | C2 | H7 | 180.0° | 180.0° |
| C6 | C1 | C2 | C7 | 175.3° | 180.0° |
| C1 | C6 | C5 | H9 | 180.0° | 179.9° |
| C1 | C6 | N15 | H10 | 176.1° | 146.7° |
| O11 | C8 | C7 | C2 | 177.4° | 180.0° |
| O11 | C8 | C7 | C12 | 44.9° | 61.3° |
| O11 | C8 | C7 | H3 | 73.6° | 61.3° |
| C8 | C7 | C2 | C1 | 179.4° | 179.9° |
| C8 | C7 | C2 | C12 | 128.8° | 118.8° |
| C8 | C7 | C2 | H3 | 109.0° | 118.7° |
| C8 | C7 | C12 | H3 | 118.7° | 122.6° |
| C8 | C7 | C12 | C13 | 173.5° | 68.3° |
| C8 | C7 | C12 | H1 | 67.2° | 51.7° |
| C8 | C7 | C12 | H2 | 54.1° | 171.7° |
| N15 | C16 | C18 | O17 | 177.3° | 180.0° |
| N15 | C16 | C18 | H11 | 177.3° | 0.0° |
| N15 | C16 | C18 | H12 | 57.3° | 120.0° |
| N15 | C16 | C18 | H13 | 62.7° | 120.0° |
| C1 | C2 | C7 | C12 | 51.8° | 61.3° |
| C1 | C2 | C7 | H3 | 70.5° | 61.2° |
| C2 | C7 | C12 | H3 | 122.4° | 122.5° |
| C2 | C7 | C12 | C13 | 67.6° | 176.9° |
| C2 | C7 | C12 | H1 | 51.8° | 63.1° |
| C2 | C7 | C12 | H2 | 173.0° | 56.9° |
| C7 | C2 | C1 | H7 | 4.6° | 0.0° |
| C7 | C12 | C13 | H1 | 119.3° | 120.0° |
| C7 | C12 | C13 | H2 | 119.3° | 120.0° |
| C7 | C12 | C13 | N14 | 45.8° | 36.2° |
| C7 | C12 | H1 | H2 | 121.9° | 120.0° |
| C13 | C12 | H1 | H2 | 121.9° | 120.0° |
| C13 | C12 | C7 | H3 | 54.8° | 54.4° |
| C18 | C16 | N15 | H10 | 5.8° | 5.3° |
| C16 | C18 | H11 | H12 | 120.0° | 119.9° |
| C16 | C18 | H11 | H13 | 120.0° | 120.0° |
| C16 | C18 | H12 | H13 | 120.0° | 120.0° |
| O17 | C16 | N15 | H10 | 177.0° | 174.7° |
| O17 | C16 | C18 | H11 | 0.0° | 180.0° |
| O17 | C16 | C18 | H12 | 120.0° | 60.0° |
| O17 | C16 | C18 | H13 | 120.0° | 60.0° |
| N14 | C13 | C12 | H1 | 165.1° | 156.2° |
| N14 | C13 | C12 | H2 | 73.5° | 83.8° |
| H1 | C12 | C7 | H3 | 174.2° | 174.3° |
| H2 | C12 | C7 | H3 | 64.6° | 65.6° |
| H4 | C10 | H5 | H6 | 120.0° | 120.0° |
| H8 | C4 | C5 | H9 | 1.0° | 0.2° |
| H11 | C18 | H12 | H13 | 120.0° | 120.1° |
