Obsolete: OWL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C1 | sing | 1.40Å | 1.46Å | |
| C4 | C1 | doub | 1.39Å | 1.57Å | Aromatic |
| C1 | C3 | sing | 1.39Å | 1.53Å | Aromatic |
| C5 | C2 | doub | 1.39Å | 1.58Å | Aromatic |
| C6 | C2 | sing | 1.39Å | 1.56Å | Aromatic |
| C2 | N1 | sing | 1.40Å | 1.49Å | |
| C3 | C6 | doub | 1.38Å | 1.47Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.38Å | 1.58Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | C7 | doub | 1.39Å | 1.56Å | Aromatic |
| C7 | C10 | sing | 1.38Å | 1.49Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | C8 | doub | 1.38Å | 1.60Å | Aromatic |
| C8 | C11 | sing | 1.39Å | 1.56Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N1 | C9 | sing | 1.40Å | 1.38Å | |
| C9 | C12 | sing | 1.39Å | 1.58Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.53Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | N7 | sing | 1.40Å | 1.47Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N7 | C13 | sing | 1.39Å | 1.41Å | |
| N2 | C13 | sing | 1.36Å | 1.40Å | Aromatic |
| C13 | N3 | doub | 1.31Å | 1.37Å | Aromatic |
| N2 | C15 | sing | 1.38Å | 1.46Å | Aromatic |
| N3 | C16 | sing | 1.34Å | 1.48Å | Aromatic |
| N5 | C14 | doub | 1.31Å | 1.36Å | Aromatic |
| N6 | C14 | sing | 1.39Å | 1.39Å | |
| C14 | N4 | sing | 1.36Å | 1.38Å | Aromatic |
| C17 | N4 | sing | 1.38Å | 1.46Å | Aromatic |
| N5 | C18 | sing | 1.34Å | 1.46Å | Aromatic |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | doub | 1.34Å | 1.54Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | C17 | doub | 1.34Å | 1.53Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C1 | C4 | 119.4° | 120.0° |
| N6 | C1 | C3 | 121.7° | 120.0° |
| C1 | N6 | C14 | 129.8° | 120.0° |
| C1 | N6 | HN6 | 115.1° | 120.0° |
| C4 | C1 | C3 | 118.9° | 120.0° |
| C1 | C4 | C5 | 119.1° | 120.0° |
| C1 | C4 | H4 | 120.4° | 120.0° |
| C1 | C3 | C6 | 121.6° | 120.0° |
| C1 | C3 | H3 | 119.2° | 120.0° |
| C5 | C2 | C6 | 116.1° | 120.0° |
| C5 | C2 | N1 | 118.3° | 120.0° |
| C2 | C5 | C4 | 120.3° | 120.0° |
| C2 | C5 | H5 | 119.8° | 120.0° |
| C6 | C2 | N1 | 125.6° | 120.0° |
| C2 | C6 | C3 | 124.0° | 120.0° |
| C2 | C6 | H6 | 118.0° | 120.0° |
| C2 | N1 | C9 | 137.1° | 120.0° |
| C2 | N1 | HN1 | 111.5° | 120.0° |
| C6 | C3 | H3 | 119.2° | 120.0° |
| C3 | C6 | H6 | 118.0° | 120.0° |
| C5 | C4 | H4 | 120.4° | 120.0° |
| C4 | C5 | H5 | 119.8° | 120.0° |
| C9 | C7 | C10 | 123.7° | 120.0° |
| C9 | C7 | H7 | 118.2° | 120.0° |
| C7 | C9 | N1 | 128.3° | 120.0° |
| C7 | C9 | C12 | 115.8° | 120.0° |
| C10 | C7 | H7 | 118.2° | 120.0° |
| C7 | C10 | C11 | 122.4° | 120.0° |
| C7 | C10 | H10 | 118.8° | 120.0° |
| C12 | C8 | C11 | 119.7° | 120.0° |
| C12 | C8 | H8 | 120.1° | 120.0° |
| C8 | C12 | C9 | 120.3° | 120.0° |
| C8 | C12 | H12 | 119.8° | 120.0° |
| C11 | C8 | H8 | 120.1° | 120.0° |
| C8 | C11 | C10 | 118.1° | 120.0° |
| C8 | C11 | N7 | 119.0° | 120.0° |
| N1 | C9 | C12 | 115.9° | 120.0° |
| C9 | N1 | HN1 | 111.5° | 120.0° |
| C9 | C12 | H12 | 119.9° | 120.0° |
| C11 | C10 | H10 | 118.8° | 119.9° |
| C10 | C11 | N7 | 122.9° | 120.0° |
| C11 | N7 | C13 | 132.4° | 120.0° |
| C11 | N7 | HN7 | 113.8° | 120.0° |
| N7 | C13 | N2 | 127.7° | 125.8° |
| N7 | C13 | N3 | 121.5° | 125.8° |
| C13 | N7 | HN7 | 113.8° | 120.0° |
| N2 | C13 | N3 | 110.8° | 108.4° |
| C13 | N2 | C15 | 110.3° | 107.0° |
| C13 | N2 | HN2 | 124.8° | 126.5° |
| C13 | N3 | C16 | 109.8° | 109.3° |
| N2 | C15 | C16 | 104.1° | 107.0° |
| N2 | C15 | H15 | 128.0° | 126.5° |
| C15 | N2 | HN2 | 124.9° | 126.5° |
| N3 | C16 | C15 | 105.1° | 108.3° |
| N3 | C16 | H16 | 127.5° | 125.8° |
| N5 | C14 | N6 | 121.4° | 125.8° |
| N5 | C14 | N4 | 112.1° | 108.4° |
| C14 | N5 | C18 | 109.7° | 109.3° |
| N6 | C14 | N4 | 126.5° | 125.8° |
| C14 | N6 | HN6 | 115.1° | 120.0° |
| C14 | N4 | C17 | 108.8° | 107.0° |
| C14 | N4 | HN4 | 125.6° | 126.5° |
| N4 | C17 | C18 | 104.9° | 107.0° |
| N4 | C17 | H17 | 127.6° | 126.5° |
| C17 | N4 | HN4 | 125.6° | 126.5° |
| N5 | C18 | C17 | 104.5° | 108.3° |
| N5 | C18 | H18 | 127.7° | 125.9° |
| C16 | C15 | H15 | 128.0° | 126.5° |
| C15 | C16 | H16 | 127.4° | 125.9° |
| C18 | C17 | H17 | 127.5° | 126.5° |
| C17 | C18 | H18 | 127.7° | 125.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C1 | C4 | C3 | 179.8° | 179.6° |
| N6 | C1 | C3 | C6 | 179.6° | 179.7° |
| N6 | C1 | C3 | H3 | 0.4° | 0.4° |
| N6 | C1 | C4 | C5 | 179.7° | 179.7° |
| N6 | C1 | C4 | H4 | 0.3° | 0.4° |
| C1 | N6 | C14 | N5 | 179.4° | 5.9° |
| C1 | N6 | C14 | HN6 | 180.0° | 180.0° |
| C1 | N6 | C14 | N4 | 0.5° | 174.4° |
| C1 | C4 | C5 | C2 | 0.0° | 0.1° |
| C4 | C1 | C3 | C6 | 0.3° | 0.1° |
| C4 | C1 | C3 | H3 | 179.7° | 180.0° |
| C1 | C4 | C5 | H4 | 180.0° | 179.9° |
| C1 | C4 | C5 | H5 | 179.9° | 179.9° |
| C4 | C1 | N6 | C14 | 138.1° | 27.5° |
| C4 | C1 | N6 | HN6 | 41.9° | 152.5° |
| C1 | C3 | C6 | C2 | 0.2° | 0.1° |
| C1 | C3 | C6 | H3 | 180.0° | 179.9° |
| C3 | C1 | C4 | C5 | 0.1° | 0.1° |
| C3 | C1 | C4 | H4 | 179.9° | 180.0° |
| C1 | C3 | C6 | H6 | 179.8° | 180.0° |
| C3 | C1 | N6 | C14 | 42.1° | 152.9° |
| C3 | C1 | N6 | HN6 | 137.9° | 27.1° |
| C5 | C2 | C6 | N1 | 179.5° | 179.9° |
| C5 | C2 | C6 | C3 | 0.0° | 0.1° |
| C2 | C5 | C4 | H5 | 180.0° | 180.0° |
| C2 | C5 | C4 | H4 | 179.9° | 180.0° |
| C5 | C2 | C6 | H6 | 180.0° | 180.0° |
| C5 | C2 | N1 | C9 | 179.5° | 150.5° |
| C5 | C2 | N1 | HN1 | 0.5° | 29.6° |
| C2 | C6 | C3 | H6 | 180.0° | 179.9° |
| C2 | C6 | C3 | H3 | 179.8° | 180.0° |
| C6 | C2 | C5 | C4 | 0.1° | 0.1° |
| C6 | C2 | C5 | H5 | 179.9° | 179.9° |
| C6 | C2 | N1 | C9 | 1.0° | 29.4° |
| C6 | C2 | N1 | HN1 | 179.0° | 150.5° |
| N1 | C2 | C6 | C3 | 179.5° | 180.0° |
| N1 | C2 | C5 | C4 | 179.6° | 180.0° |
| N1 | C2 | C5 | H5 | 0.3° | 0.0° |
| N1 | C2 | C6 | H6 | 0.5° | 0.1° |
| C2 | N1 | C9 | C7 | 0.9° | 150.3° |
| C2 | N1 | C9 | HN1 | 180.0° | 179.9° |
| C2 | N1 | C9 | C12 | 179.1° | 29.7° |
| H3 | C3 | C6 | H6 | 0.2° | 0.1° |
| H4 | C4 | C5 | H5 | 0.1° | 0.0° |
| C9 | C7 | C10 | H7 | 180.0° | 179.8° |
| C7 | C9 | C12 | C8 | 0.4° | 0.5° |
| C7 | C9 | N1 | C12 | 180.0° | 180.0° |
| C9 | C7 | C10 | C11 | 0.5° | 0.2° |
| C9 | C7 | C10 | H10 | 179.5° | 179.8° |
| C7 | C9 | C12 | H12 | 179.6° | 180.0° |
| C7 | C9 | N1 | HN1 | 179.0° | 29.6° |
| C7 | C10 | C11 | C8 | 0.3° | 0.0° |
| C10 | C7 | C9 | N1 | 179.1° | 180.0° |
| C10 | C7 | C9 | C12 | 0.9° | 0.1° |
| C7 | C10 | C11 | H10 | 180.0° | 180.0° |
| C7 | C10 | C11 | N7 | 179.0° | 179.5° |
| H7 | C7 | C9 | N1 | 0.9° | 0.2° |
| H7 | C7 | C9 | C12 | 179.1° | 179.7° |
| H7 | C7 | C10 | C11 | 179.5° | 180.0° |
| H7 | C7 | C10 | H10 | 0.5° | 0.0° |
| C12 | C8 | C11 | H8 | 180.0° | 179.5° |
| C8 | C12 | C9 | N1 | 179.6° | 179.5° |
| C8 | C12 | C9 | H12 | 180.0° | 179.5° |
| C12 | C8 | C11 | C10 | 0.7° | 0.5° |
| C12 | C8 | C11 | N7 | 178.6° | 179.9° |
| C11 | C8 | C12 | C9 | 0.3° | 0.8° |
| C8 | C11 | C10 | N7 | 179.3° | 179.4° |
| C8 | C11 | C10 | H10 | 179.7° | 180.0° |
| C11 | C8 | C12 | H12 | 179.7° | 179.8° |
| C8 | C11 | N7 | C13 | 177.5° | 152.7° |
| C8 | C11 | N7 | HN7 | 2.5° | 27.1° |
| H8 | C8 | C12 | C9 | 179.7° | 179.7° |
| H8 | C8 | C11 | C10 | 179.3° | 180.0° |
| H8 | C8 | C11 | N7 | 1.4° | 0.6° |
| H8 | C8 | C12 | H12 | 0.3° | 0.3° |
| N1 | C9 | C12 | H12 | 0.4° | 0.0° |
| C12 | C9 | N1 | HN1 | 1.0° | 150.4° |
| C10 | C11 | N7 | C13 | 1.8° | 27.8° |
| C10 | C11 | N7 | HN7 | 178.2° | 152.4° |
| H10 | C10 | C11 | N7 | 1.0° | 0.6° |
| C11 | N7 | C13 | HN7 | 180.0° | 179.8° |
| C11 | N7 | C13 | N2 | 13.0° | 174.7° |
| C11 | N7 | C13 | N3 | 168.0° | 5.5° |
| N7 | C13 | N2 | N3 | 179.1° | 179.9° |
| N7 | C13 | N2 | C15 | 178.9° | 179.8° |
| N7 | C13 | N3 | C16 | 178.9° | 179.8° |
| N7 | C13 | N2 | HN2 | 1.1° | 0.2° |
| C13 | N2 | C15 | HN2 | 180.0° | 180.0° |
| N2 | C13 | N3 | C16 | 0.2° | 0.1° |
| N2 | C13 | N7 | HN7 | 167.0° | 5.5° |
| C13 | N2 | C15 | C16 | 0.1° | 0.0° |
| C13 | N2 | C15 | H15 | 179.9° | 180.0° |
| N3 | C13 | N2 | C15 | 0.2° | 0.1° |
| N3 | C13 | N7 | HN7 | 12.0° | 174.4° |
| C13 | N3 | C16 | C15 | 0.1° | 0.0° |
| C13 | N3 | C16 | H16 | 179.9° | 180.0° |
| N3 | C13 | N2 | HN2 | 179.8° | 180.0° |
| N2 | C15 | C16 | N3 | 0.0° | 0.0° |
| N2 | C15 | C16 | H15 | 180.0° | 180.0° |
| N2 | C15 | C16 | H16 | 180.0° | 180.0° |
| N3 | C16 | C15 | H16 | 180.0° | 180.0° |
| N3 | C16 | C15 | H15 | 180.0° | 180.0° |
| N5 | C14 | N6 | N4 | 179.9° | 179.7° |
| N5 | C14 | N4 | C17 | 0.1° | 0.0° |
| N5 | C14 | N6 | HN6 | 0.6° | 174.1° |
| C14 | N5 | C18 | C17 | 0.1° | 0.0° |
| C14 | N5 | C18 | H18 | 179.9° | 179.9° |
| N5 | C14 | N4 | HN4 | 180.0° | 179.9° |
| N6 | C14 | N4 | C17 | 179.9° | 179.7° |
| N6 | C14 | N5 | C18 | 180.0° | 179.7° |
| N6 | C14 | N4 | HN4 | 0.1° | 0.3° |
| C14 | N4 | C17 | HN4 | 180.0° | 180.0° |
| N4 | C14 | N5 | C18 | 0.1° | 0.0° |
| N4 | C14 | N6 | HN6 | 179.5° | 5.6° |
| C14 | N4 | C17 | C18 | 0.0° | 0.0° |
| C14 | N4 | C17 | H17 | 180.0° | 179.9° |
| N4 | C17 | C18 | N5 | 0.1° | 0.0° |
| N4 | C17 | C18 | H17 | 180.0° | 179.9° |
| N4 | C17 | C18 | H18 | 179.9° | 180.0° |
| N5 | C18 | C17 | H18 | 180.0° | 179.9° |
| N5 | C18 | C17 | H17 | 180.0° | 179.9° |
| C16 | C15 | N2 | HN2 | 179.9° | 180.0° |
| H15 | C15 | C16 | H16 | 0.0° | 0.0° |
| H15 | C15 | N2 | HN2 | 0.1° | 0.0° |
| C18 | C17 | N4 | HN4 | 180.0° | 179.9° |
| H17 | C17 | C18 | H18 | 0.0° | 0.2° |
| H17 | C17 | N4 | HN4 | 0.0° | 0.0° |
