OA5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | C6 | sing | 1.38Å | 1.35Å | |
| C6 | N8 | sing | 1.33Å | 1.35Å | Aromatic |
| C6 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| N8 | C5 | doub | 1.33Å | 1.36Å | Aromatic |
| C5 | N9 | sing | 1.38Å | 1.35Å | |
| C5 | N2 | sing | 1.33Å | 1.35Å | Aromatic |
| N2 | C1 | doub | 1.33Å | 1.35Å | Aromatic |
| N3 | C1 | sing | 1.33Å | 1.35Å | Aromatic |
| C1 | O4 | sing | 1.35Å | 1.36Å | |
| O4 | C7 | sing | 1.43Å | 1.43Å | |
| C7 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | O12 | sing | 1.43Å | 1.42Å | |
| O12 | C13 | sing | 1.36Å | 1.37Å | |
| C13 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N10 | H102 | sing | 0.97Å | 1.00Å | |
| N9 | H91N | sing | 0.97Å | 1.00Å | |
| N9 | H92N | sing | 0.97Å | 1.00Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N10 | C6 | N8 | 121.5° | 120.0° |
| N10 | C6 | N3 | 119.0° | 120.0° |
| C6 | N10 | H101 | 109.5° | 120.0° |
| C6 | N10 | H102 | 109.5° | 120.0° |
| N8 | C6 | N3 | 119.4° | 120.0° |
| C6 | N8 | C5 | 120.1° | 120.0° |
| C6 | N3 | C1 | 120.7° | 120.0° |
| N8 | C5 | N9 | 119.6° | 120.0° |
| N8 | C5 | N2 | 120.5° | 119.9° |
| N9 | C5 | N2 | 119.9° | 120.0° |
| C5 | N9 | H91N | 109.5° | 120.0° |
| C5 | N9 | H92N | 109.5° | 120.0° |
| C5 | N2 | C1 | 119.1° | 120.0° |
| N2 | C1 | N3 | 120.3° | 120.1° |
| N2 | C1 | O4 | 122.3° | 119.9° |
| N3 | C1 | O4 | 117.4° | 120.0° |
| C1 | O4 | C7 | 122.6° | 117.0° |
| O4 | C7 | C11 | 107.5° | 109.5° |
| O4 | C7 | H71C | 110.1° | 109.5° |
| O4 | C7 | H72C | 110.6° | 109.4° |
| C7 | C11 | O12 | 108.2° | 109.4° |
| C11 | C7 | H71C | 110.1° | 109.5° |
| C11 | C7 | H72C | 110.6° | 109.5° |
| C7 | C11 | H111 | 109.9° | 109.4° |
| C7 | C11 | H112 | 110.2° | 109.5° |
| C11 | O12 | C13 | 122.9° | 116.9° |
| O12 | C11 | H111 | 109.9° | 109.5° |
| O12 | C11 | H112 | 110.2° | 109.5° |
| O12 | C13 | C15 | 121.2° | 120.0° |
| O12 | C13 | C14 | 118.5° | 120.1° |
| C15 | C13 | C14 | 120.4° | 119.9° |
| C13 | C15 | C17 | 119.7° | 119.9° |
| C13 | C15 | H15 | 120.2° | 120.0° |
| C13 | C14 | C16 | 119.8° | 120.0° |
| C13 | C14 | H14 | 120.1° | 120.0° |
| C15 | C17 | C18 | 120.0° | 120.1° |
| C17 | C15 | H15 | 120.1° | 120.1° |
| C15 | C17 | H17 | 120.0° | 119.9° |
| C17 | C18 | C16 | 120.1° | 120.1° |
| C18 | C17 | H17 | 120.0° | 120.0° |
| C17 | C18 | H18 | 119.9° | 120.0° |
| C18 | C16 | C14 | 120.0° | 120.1° |
| C16 | C18 | H18 | 119.9° | 120.0° |
| C18 | C16 | H16 | 120.0° | 119.9° |
| C16 | C14 | H14 | 120.1° | 120.0° |
| C14 | C16 | H16 | 120.0° | 120.0° |
| H101 | N10 | H102 | 109.5° | 120.0° |
| H91N | N9 | H92N | 109.5° | 120.0° |
| H71C | C7 | H72C | 108.0° | 109.4° |
| H111 | C11 | H112 | 108.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N10 | C6 | N8 | N3 | 179.4° | 179.8° |
| N10 | C6 | N8 | C5 | 179.7° | 180.0° |
| N10 | C6 | N3 | C1 | 179.5° | 179.7° |
| C6 | N10 | H101 | H102 | 120.0° | 179.7° |
| C6 | N8 | C5 | N9 | 179.9° | 179.9° |
| C6 | N8 | C5 | N2 | 0.3° | 0.0° |
| N8 | C6 | N3 | C1 | 0.1° | 0.5° |
| N8 | C6 | N10 | H101 | 125.4° | 0.0° |
| N8 | C6 | N10 | H102 | 114.6° | 179.7° |
| N3 | C6 | N8 | C5 | 0.3° | 0.2° |
| C6 | N3 | C1 | N2 | 0.2° | 0.5° |
| C6 | N3 | C1 | O4 | 179.9° | 179.7° |
| N3 | C6 | N10 | H101 | 55.2° | 179.8° |
| N3 | C6 | N10 | H102 | 64.8° | 0.5° |
| N8 | C5 | N9 | N2 | 179.6° | 180.0° |
| N8 | C5 | N2 | C1 | 0.1° | 0.0° |
| N8 | C5 | N9 | H91N | 49.2° | 0.1° |
| N8 | C5 | N9 | H92N | 169.2° | 180.0° |
| N9 | C5 | N2 | C1 | 179.7° | 179.9° |
| C5 | N9 | H91N | H92N | 120.0° | 179.9° |
| C5 | N2 | C1 | N3 | 0.2° | 0.2° |
| C5 | N2 | C1 | O4 | 179.9° | 180.0° |
| N2 | C5 | N9 | H91N | 130.4° | 180.0° |
| N2 | C5 | N9 | H92N | 10.4° | 0.0° |
| N2 | C1 | N3 | O4 | 180.0° | 179.8° |
| N2 | C1 | O4 | C7 | 8.9° | 180.0° |
| N3 | C1 | O4 | C7 | 171.2° | 0.2° |
| C1 | O4 | C7 | C11 | 93.0° | 180.0° |
| C1 | O4 | C7 | H71C | 27.0° | 60.0° |
| C1 | O4 | C7 | H72C | 146.2° | 60.0° |
| O4 | C7 | C11 | H71C | 120.0° | 120.0° |
| O4 | C7 | C11 | H72C | 120.8° | 120.0° |
| O4 | C7 | C11 | O12 | 134.6° | 65.0° |
| O4 | C7 | H71C | H72C | 120.8° | 119.9° |
| O4 | C7 | C11 | H111 | 105.4° | 175.0° |
| O4 | C7 | C11 | H112 | 14.1° | 55.0° |
| C7 | C11 | O12 | H111 | 120.0° | 119.9° |
| C7 | C11 | O12 | H112 | 120.5° | 120.0° |
| C7 | C11 | O12 | C13 | 119.9° | 180.0° |
| C11 | C7 | H71C | H72C | 120.8° | 120.1° |
| C7 | C11 | H111 | H112 | 120.5° | 120.0° |
| C11 | O12 | C13 | C15 | 20.5° | 180.0° |
| C11 | O12 | C13 | C14 | 160.5° | 0.3° |
| O12 | C11 | C7 | H71C | 14.6° | 55.0° |
| O12 | C11 | C7 | H72C | 104.6° | 175.0° |
| O12 | C11 | H111 | H112 | 120.5° | 120.1° |
| O12 | C13 | C15 | C14 | 179.0° | 179.7° |
| O12 | C13 | C15 | C17 | 179.2° | 180.0° |
| O12 | C13 | C14 | C16 | 179.5° | 179.7° |
| C13 | O12 | C11 | H111 | 120.1° | 60.1° |
| C13 | O12 | C11 | H112 | 0.6° | 60.0° |
| O12 | C13 | C15 | H15 | 0.8° | 0.0° |
| O12 | C13 | C14 | H14 | 0.5° | 0.0° |
| C13 | C15 | C17 | H15 | 180.0° | 180.0° |
| C13 | C15 | C17 | C18 | 0.1° | 0.0° |
| C15 | C13 | C14 | C16 | 0.5° | 0.6° |
| C15 | C13 | C14 | H14 | 179.5° | 179.7° |
| C13 | C15 | C17 | H17 | 179.9° | 180.0° |
| C14 | C13 | C15 | C17 | 0.3° | 0.3° |
| C13 | C14 | C16 | C18 | 0.4° | 0.6° |
| C13 | C14 | C16 | H14 | 180.0° | 179.7° |
| C14 | C13 | C15 | H15 | 179.7° | 179.7° |
| C13 | C14 | C16 | H16 | 179.6° | 179.7° |
| C15 | C17 | C18 | H17 | 180.0° | 180.0° |
| C15 | C17 | C18 | C16 | 0.2° | 0.0° |
| C15 | C17 | C18 | H18 | 179.7° | 180.0° |
| C17 | C18 | C16 | H18 | 180.0° | 179.9° |
| C17 | C18 | C16 | C14 | 0.0° | 0.3° |
| C18 | C17 | C15 | H15 | 179.9° | 180.0° |
| C17 | C18 | C16 | H16 | 180.0° | 180.0° |
| C18 | C16 | C14 | H16 | 180.0° | 179.8° |
| C18 | C16 | C14 | H14 | 179.6° | 179.7° |
| C16 | C18 | C17 | H17 | 179.8° | 180.0° |
| C14 | C16 | C18 | H18 | 180.0° | 179.7° |
| H71C | C7 | C11 | H111 | 134.6° | 65.0° |
| H71C | C7 | C11 | H112 | 105.9° | 175.0° |
| H72C | C7 | C11 | H111 | 15.4° | 55.0° |
| H72C | C7 | C11 | H112 | 134.9° | 65.0° |
| H15 | C15 | C17 | H17 | 0.1° | 0.0° |
| H14 | C14 | C16 | H16 | 0.3° | 0.0° |
| H17 | C17 | C18 | H18 | 0.3° | 0.1° |
| H18 | C18 | C16 | H16 | 0.0° | 0.1° |
