7JH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C14 | sing | 1.51Å | 1.48Å | |
| N15 | C14 | sing | 1.31Å | 1.40Å | Aromatic |
| N15 | C16 | doub | 1.29Å | 1.32Å | Aromatic |
| C14 | C12 | doub | 1.35Å | 1.40Å | Aromatic |
| C18 | C16 | sing | 1.51Å | 1.48Å | |
| C16 | S13 | sing | 1.71Å | 1.73Å | Aromatic |
| C12 | S13 | sing | 1.76Å | 1.67Å | Aromatic |
| C12 | C4 | sing | 1.48Å | 1.50Å | |
| C4 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.43Å | Aromatic |
| C2 | C10 | sing | 1.47Å | 1.47Å | |
| C2 | C1 | doub | 1.41Å | 1.41Å | Aromatic |
| O11 | C10 | doub | 1.22Å | 1.23Å | |
| C6 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | O19 | sing | 1.36Å | 1.35Å | |
| C10 | N9 | sing | 1.35Å | 1.41Å | |
| C1 | N7 | sing | 1.36Å | 1.40Å | |
| N9 | C8 | sing | 1.36Å | 1.36Å | |
| N7 | C8 | doub | 1.30Å | 1.31Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| N9 | H7 | sing | 0.97Å | 1.00Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| O19 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C14 | N15 | 119.3° | 122.9° |
| C17 | C14 | C12 | 127.7° | 122.9° |
| C14 | C17 | H3 | 109.5° | 109.5° |
| C14 | C17 | H4 | 109.5° | 109.4° |
| C14 | C17 | H5 | 109.5° | 109.5° |
| C14 | N15 | C16 | 112.1° | 117.3° |
| N15 | C14 | C12 | 112.9° | 114.2° |
| N15 | C16 | C18 | 126.7° | 124.8° |
| N15 | C16 | S13 | 112.9° | 110.4° |
| C14 | C12 | S13 | 110.7° | 107.8° |
| C14 | C12 | C4 | 129.4° | 126.1° |
| C18 | C16 | S13 | 120.4° | 124.8° |
| C16 | C18 | H8 | 109.5° | 109.5° |
| C16 | C18 | H9 | 109.5° | 109.4° |
| C16 | C18 | H10 | 109.5° | 109.5° |
| C16 | S13 | C12 | 91.4° | 90.3° |
| S13 | C12 | C4 | 119.8° | 126.1° |
| C12 | C4 | C3 | 120.4° | 119.8° |
| C12 | C4 | C5 | 120.2° | 119.8° |
| C3 | C4 | C5 | 119.1° | 120.3° |
| C4 | C3 | C2 | 121.4° | 119.5° |
| C4 | C3 | H6 | 119.3° | 120.3° |
| C4 | C5 | C6 | 120.0° | 120.6° |
| C4 | C5 | H1 | 120.0° | 119.7° |
| C3 | C2 | C10 | 123.1° | 121.8° |
| C3 | C2 | C1 | 120.4° | 120.2° |
| C2 | C3 | H6 | 119.3° | 120.2° |
| C5 | C6 | C1 | 121.0° | 119.8° |
| C5 | C6 | O19 | 118.1° | 120.1° |
| C6 | C5 | H1 | 120.0° | 119.7° |
| C10 | C2 | C1 | 116.5° | 118.0° |
| C2 | C10 | O11 | 124.9° | 121.3° |
| C2 | C10 | N9 | 116.0° | 117.4° |
| C2 | C1 | C6 | 117.9° | 119.5° |
| C2 | C1 | N7 | 124.0° | 119.0° |
| O11 | C10 | N9 | 119.0° | 121.2° |
| C1 | C6 | O19 | 120.9° | 120.1° |
| C6 | C1 | N7 | 118.0° | 121.5° |
| C6 | O19 | H11 | 109.5° | 114.0° |
| C10 | N9 | C8 | 122.0° | 120.5° |
| C10 | N9 | H7 | 119.0° | 119.7° |
| C1 | N7 | C8 | 116.6° | 121.7° |
| N9 | C8 | N7 | 124.7° | 123.4° |
| N9 | C8 | H2 | 117.7° | 118.3° |
| C8 | N9 | H7 | 119.0° | 119.7° |
| N7 | C8 | H2 | 117.6° | 118.3° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H3 | C17 | H5 | 109.4° | 109.4° |
| H4 | C17 | H5 | 109.5° | 109.5° |
| H8 | C18 | H9 | 109.5° | 109.5° |
| H8 | C18 | H10 | 109.5° | 109.5° |
| H9 | C18 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C14 | N15 | C12 | 178.5° | 180.0° |
| C17 | C14 | N15 | C16 | 179.9° | 179.6° |
| C17 | C14 | C12 | S13 | 179.5° | 180.0° |
| C17 | C14 | C12 | C4 | 1.6° | 0.3° |
| C14 | C17 | H3 | H4 | 120.0° | 120.0° |
| C14 | C17 | H3 | H5 | 120.0° | 120.0° |
| C14 | C17 | H4 | H5 | 120.0° | 120.0° |
| C14 | N15 | C16 | C18 | 179.3° | 180.0° |
| C14 | N15 | C16 | S13 | 0.9° | 0.5° |
| N15 | C14 | C12 | S13 | 1.2° | 0.0° |
| N15 | C14 | C12 | C4 | 180.0° | 179.8° |
| N15 | C14 | C17 | H3 | 0.0° | 95.3° |
| N15 | C14 | C17 | H4 | 120.0° | 24.8° |
| N15 | C14 | C17 | H5 | 120.0° | 144.7° |
| C16 | N15 | C14 | C12 | 1.4° | 0.3° |
| N15 | C16 | C18 | S13 | 179.8° | 179.4° |
| N15 | C16 | S13 | C12 | 0.2° | 0.4° |
| N15 | C16 | C18 | H8 | 0.0° | 90.0° |
| N15 | C16 | C18 | H9 | 120.0° | 150.0° |
| N15 | C16 | C18 | H10 | 120.0° | 30.0° |
| C14 | C12 | S13 | C16 | 0.5° | 0.3° |
| C14 | C12 | S13 | C4 | 179.0° | 179.7° |
| C14 | C12 | C4 | C3 | 43.4° | 132.3° |
| C14 | C12 | C4 | C5 | 142.8° | 47.3° |
| C12 | C14 | C17 | H3 | 178.3° | 84.7° |
| C12 | C14 | C17 | H4 | 58.3° | 155.3° |
| C12 | C14 | C17 | H5 | 61.7° | 35.3° |
| C18 | C16 | S13 | C12 | 180.0° | 179.9° |
| C16 | C18 | H8 | H9 | 120.0° | 120.0° |
| C16 | C18 | H8 | H10 | 120.0° | 120.0° |
| C16 | C18 | H9 | H10 | 120.0° | 120.0° |
| C16 | S13 | C12 | C4 | 179.5° | 180.0° |
| S13 | C16 | C18 | H8 | 179.7° | 90.6° |
| S13 | C16 | C18 | H9 | 60.3° | 29.5° |
| S13 | C16 | C18 | H10 | 59.7° | 149.4° |
| S13 | C12 | C4 | C3 | 135.4° | 47.4° |
| S13 | C12 | C4 | C5 | 38.4° | 133.0° |
| C12 | C4 | C3 | C5 | 173.9° | 179.6° |
| C12 | C4 | C3 | C2 | 177.7° | 179.7° |
| C12 | C4 | C5 | C6 | 177.7° | 179.7° |
| C12 | C4 | C5 | H1 | 2.2° | 0.3° |
| C12 | C4 | C3 | H6 | 2.3° | 0.3° |
| C4 | C3 | C2 | H6 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 3.9° | 0.1° |
| C4 | C3 | C2 | C10 | 179.5° | 180.0° |
| C4 | C3 | C2 | C1 | 2.7° | 0.1° |
| C3 | C4 | C5 | H1 | 176.1° | 180.0° |
| C5 | C4 | C3 | C2 | 3.8° | 0.1° |
| C4 | C5 | C6 | H1 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 2.9° | 0.0° |
| C4 | C5 | C6 | O19 | 178.5° | 179.9° |
| C5 | C4 | C3 | H6 | 176.2° | 180.0° |
| C3 | C2 | C10 | C1 | 177.9° | 180.0° |
| C3 | C2 | C10 | O11 | 4.2° | 0.0° |
| C3 | C2 | C1 | C6 | 1.6° | 0.0° |
| C3 | C2 | C10 | N9 | 179.1° | 180.0° |
| C3 | C2 | C1 | N7 | 179.2° | 180.0° |
| C5 | C6 | C1 | C2 | 1.8° | 0.0° |
| C5 | C6 | C1 | O19 | 178.5° | 179.9° |
| C5 | C6 | C1 | N7 | 179.5° | 180.0° |
| C5 | C6 | O19 | H11 | 180.0° | 90.0° |
| C2 | C10 | O11 | N9 | 176.5° | 180.0° |
| C10 | C2 | C1 | C6 | 179.6° | 180.0° |
| C10 | C2 | C1 | N7 | 2.9° | 0.0° |
| C2 | C10 | N9 | C8 | 0.3° | 0.1° |
| C10 | C2 | C3 | H6 | 0.5° | 0.1° |
| C2 | C10 | N9 | H7 | 179.7° | 179.9° |
| C1 | C2 | C10 | O11 | 173.6° | 180.0° |
| C2 | C1 | C6 | N7 | 177.7° | 180.0° |
| C2 | C1 | C6 | O19 | 179.7° | 180.0° |
| C1 | C2 | C10 | N9 | 3.0° | 0.1° |
| C2 | C1 | N7 | C8 | 0.9° | 0.0° |
| C1 | C2 | C3 | H6 | 177.3° | 180.0° |
| O11 | C10 | N9 | C8 | 177.1° | 180.0° |
| O11 | C10 | N9 | H7 | 2.9° | 0.0° |
| C6 | C1 | N7 | C8 | 176.7° | 180.0° |
| C1 | C6 | C5 | H1 | 177.1° | 180.0° |
| C1 | C6 | O19 | H11 | 1.4° | 90.0° |
| O19 | C6 | C1 | N7 | 2.0° | 0.0° |
| O19 | C6 | C5 | H1 | 1.5° | 0.0° |
| C10 | N9 | C8 | H7 | 180.0° | 180.0° |
| C10 | N9 | C8 | N7 | 4.5° | 0.0° |
| C10 | N9 | C8 | H2 | 175.5° | 180.0° |
| C1 | N7 | C8 | N9 | 4.7° | 0.0° |
| C1 | N7 | C8 | H2 | 175.3° | 180.0° |
| N9 | C8 | N7 | H2 | 180.0° | 180.0° |
| N7 | C8 | N9 | H7 | 175.5° | 179.9° |
| H2 | C8 | N9 | H7 | 4.5° | 0.0° |
| H3 | C17 | H4 | H5 | 120.0° | 120.0° |
| H8 | C18 | H9 | H10 | 120.0° | 120.0° |
