6OW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N14 | N8 | sing | 1.40Å | 1.31Å | Aromatic |
| N14 | C13 | doub | 1.31Å | 1.33Å | Aromatic |
| N8 | C3 | sing | 1.36Å | 1.31Å | Aromatic |
| C13 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | C7 | doub | 1.38Å | 1.42Å | Aromatic |
| C3 | C1 | sing | 1.47Å | 1.49Å | |
| C10 | C4 | sing | 1.51Å | 1.52Å | |
| C1 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | N2 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | N9 | sing | 1.33Å | 1.34Å | Aromatic |
| N2 | C6 | sing | 1.36Å | 1.36Å | Aromatic |
| N2 | C5 | sing | 1.37Å | 1.32Å | Aromatic |
| N9 | C5 | doub | 1.33Å | 1.36Å | Aromatic |
| C6 | C12 | doub | 1.35Å | 1.40Å | Aromatic |
| C5 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
| C12 | C15 | sing | 1.40Å | 1.42Å | Aromatic |
| C11 | C15 | doub | 1.36Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.49Å | |
| C6 | H61 | sing | 1.08Å | 1.08Å | |
| C7 | H71 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| N8 | H1 | sing | 0.97Å | 1.00Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N8 | N14 | C13 | 110.3° | 108.8° |
| N14 | N8 | C3 | 110.4° | 107.8° |
| N14 | N8 | H1 | 124.8° | 126.1° |
| N14 | C13 | C7 | 107.6° | 108.7° |
| N14 | C13 | H131 | 126.2° | 125.6° |
| N8 | C3 | C7 | 107.9° | 107.1° |
| N8 | C3 | C1 | 125.3° | 126.5° |
| C3 | N8 | H1 | 124.8° | 126.1° |
| C13 | C7 | C3 | 103.7° | 107.6° |
| C13 | C7 | H71 | 128.1° | 126.2° |
| C7 | C13 | H131 | 126.2° | 125.7° |
| C7 | C3 | C1 | 126.8° | 126.4° |
| C3 | C7 | H71 | 128.1° | 126.2° |
| C3 | C1 | C4 | 129.0° | 126.7° |
| C3 | C1 | N2 | 124.8° | 126.7° |
| C10 | C4 | C1 | 127.1° | 125.9° |
| C10 | C4 | N9 | 125.4° | 125.8° |
| C4 | C10 | H101 | 109.5° | 109.5° |
| C4 | C10 | H102 | 109.5° | 109.5° |
| C4 | C10 | H103 | 109.5° | 109.5° |
| C4 | C1 | N2 | 106.2° | 106.6° |
| C1 | C4 | N9 | 107.5° | 108.3° |
| C1 | N2 | C6 | 130.1° | 132.4° |
| C1 | N2 | C5 | 108.1° | 107.0° |
| C4 | N9 | C5 | 108.3° | 109.6° |
| C6 | N2 | C5 | 121.8° | 120.6° |
| N2 | C6 | C12 | 120.5° | 120.5° |
| N2 | C6 | H61 | 119.8° | 119.7° |
| N2 | C5 | N9 | 109.8° | 108.5° |
| N2 | C5 | C11 | 121.9° | 119.5° |
| N9 | C5 | C11 | 128.3° | 132.0° |
| C6 | C12 | C15 | 118.8° | 120.3° |
| C12 | C6 | H61 | 119.7° | 119.7° |
| C6 | C12 | H121 | 120.6° | 119.8° |
| C5 | C11 | C15 | 117.8° | 119.4° |
| C5 | C11 | H111 | 121.1° | 120.3° |
| C12 | C15 | C11 | 119.2° | 119.6° |
| C12 | C15 | C16 | 120.5° | 120.2° |
| C15 | C12 | H121 | 120.6° | 119.9° |
| C11 | C15 | C16 | 120.3° | 120.2° |
| C15 | C11 | H111 | 121.1° | 120.3° |
| C15 | C16 | H161 | 109.5° | 109.5° |
| C15 | C16 | H162 | 109.4° | 109.5° |
| C15 | C16 | H163 | 109.5° | 109.4° |
| H101 | C10 | H102 | 109.4° | 109.4° |
| H101 | C10 | H103 | 109.5° | 109.4° |
| H102 | C10 | H103 | 109.5° | 109.4° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H161 | C16 | H163 | 109.5° | 109.5° |
| H162 | C16 | H163 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N14 | N8 | C3 | H1 | 180.0° | 179.9° |
| N8 | N14 | C13 | C7 | 0.8° | 0.2° |
| N14 | N8 | C3 | C7 | 0.2° | 0.2° |
| N14 | N8 | C3 | C1 | 178.7° | 179.9° |
| N8 | N14 | C13 | H131 | 179.2° | 179.9° |
| C13 | N14 | N8 | C3 | 0.3° | 0.0° |
| N14 | C13 | C7 | H131 | 180.0° | 179.9° |
| N14 | C13 | C7 | C3 | 0.8° | 0.3° |
| N14 | C13 | C7 | H71 | 179.2° | 180.0° |
| C13 | N14 | N8 | H1 | 179.7° | 179.9° |
| N8 | C3 | C7 | C13 | 0.7° | 0.3° |
| N8 | C3 | C7 | C1 | 178.9° | 180.0° |
| N8 | C3 | C1 | C4 | 40.2° | 45.0° |
| N8 | C3 | C1 | N2 | 141.5° | 135.0° |
| N8 | C3 | C7 | H71 | 179.3° | 180.0° |
| C13 | C7 | C3 | H71 | 180.0° | 179.7° |
| C13 | C7 | C3 | C1 | 178.2° | 179.8° |
| C7 | C3 | C1 | C4 | 138.5° | 135.0° |
| C7 | C3 | C1 | N2 | 39.8° | 45.0° |
| C3 | C7 | C13 | H131 | 179.1° | 179.8° |
| C7 | C3 | N8 | H1 | 179.8° | 180.0° |
| C3 | C1 | C4 | C10 | 1.5° | 0.3° |
| C3 | C1 | C4 | N2 | 178.6° | 180.0° |
| C3 | C1 | C4 | N9 | 179.2° | 180.0° |
| C3 | C1 | N2 | C6 | 1.5° | 0.1° |
| C3 | C1 | N2 | C5 | 178.7° | 180.0° |
| C1 | C3 | C7 | H71 | 1.8° | 0.1° |
| C1 | C3 | N8 | H1 | 1.3° | 0.0° |
| C10 | C4 | C1 | N9 | 179.3° | 179.7° |
| C10 | C4 | C1 | N2 | 179.9° | 179.8° |
| C10 | C4 | N9 | C5 | 179.8° | 179.8° |
| C4 | C10 | H101 | H102 | 120.0° | 120.0° |
| C4 | C10 | H101 | H103 | 120.0° | 120.1° |
| C4 | C10 | H102 | H103 | 120.0° | 120.1° |
| C4 | C1 | N2 | C6 | 179.8° | 179.9° |
| C4 | C1 | N2 | C5 | 0.1° | 0.0° |
| C1 | C4 | N9 | C5 | 0.8° | 0.0° |
| C1 | C4 | C10 | H101 | 179.2° | 89.7° |
| C1 | C4 | C10 | H102 | 59.2° | 30.3° |
| C1 | C4 | C10 | H103 | 60.8° | 150.3° |
| N2 | C1 | C4 | N9 | 0.6° | 0.0° |
| C1 | N2 | C6 | C5 | 179.7° | 179.9° |
| C1 | N2 | C5 | N9 | 0.4° | 0.0° |
| C1 | N2 | C6 | C12 | 178.5° | 180.0° |
| C1 | N2 | C5 | C11 | 178.8° | 179.9° |
| C1 | N2 | C6 | H61 | 1.5° | 0.1° |
| C4 | N9 | C5 | N2 | 0.8° | 0.0° |
| C4 | N9 | C5 | C11 | 179.1° | 179.9° |
| N9 | C4 | C10 | H101 | 0.0° | 90.0° |
| N9 | C4 | C10 | H102 | 120.0° | 150.1° |
| N9 | C4 | C10 | H103 | 120.0° | 30.0° |
| C6 | N2 | C5 | N9 | 179.3° | 179.9° |
| N2 | C6 | C12 | H61 | 180.0° | 179.9° |
| C6 | N2 | C5 | C11 | 0.9° | 0.0° |
| N2 | C6 | C12 | C15 | 1.6° | 0.1° |
| N2 | C6 | C12 | H121 | 178.4° | 179.9° |
| N2 | C5 | N9 | C11 | 178.3° | 179.9° |
| C5 | N2 | C6 | C12 | 1.2° | 0.1° |
| N2 | C5 | C11 | C15 | 1.0° | 0.1° |
| C5 | N2 | C6 | H61 | 178.8° | 180.0° |
| N2 | C5 | C11 | H111 | 179.0° | 180.0° |
| N9 | C5 | C11 | C15 | 179.1° | 179.9° |
| N9 | C5 | C11 | H111 | 0.9° | 0.1° |
| C6 | C12 | C15 | H121 | 180.0° | 180.0° |
| C6 | C12 | C15 | C11 | 1.7° | 0.0° |
| C6 | C12 | C15 | C16 | 178.5° | 179.9° |
| C5 | C11 | C15 | C12 | 1.4° | 0.0° |
| C5 | C11 | C15 | H111 | 180.0° | 180.0° |
| C5 | C11 | C15 | C16 | 178.8° | 180.0° |
| C12 | C15 | C11 | C16 | 179.8° | 180.0° |
| C15 | C12 | C6 | H61 | 178.5° | 180.0° |
| C12 | C15 | C11 | H111 | 178.6° | 180.0° |
| C12 | C15 | C16 | H161 | 89.9° | 90.0° |
| C12 | C15 | C16 | H162 | 150.1° | 30.0° |
| C12 | C15 | C16 | H163 | 30.1° | 150.0° |
| C11 | C15 | C12 | H121 | 178.3° | 180.0° |
| C11 | C15 | C16 | H161 | 89.9° | 90.0° |
| C11 | C15 | C16 | H162 | 30.1° | 150.0° |
| C11 | C15 | C16 | H163 | 150.1° | 30.0° |
| C16 | C15 | C11 | H111 | 1.2° | 0.0° |
| C16 | C15 | C12 | H121 | 1.5° | 0.0° |
| C15 | C16 | H161 | H162 | 120.0° | 120.0° |
| C15 | C16 | H161 | H163 | 120.0° | 119.9° |
| C15 | C16 | H162 | H163 | 120.0° | 120.0° |
| H61 | C6 | C12 | H121 | 1.6° | 0.0° |
| H71 | C7 | C13 | H131 | 0.9° | 0.1° |
| H101 | C10 | H102 | H103 | 120.0° | 119.9° |
| H161 | C16 | H162 | H163 | 120.0° | 120.0° |
