1VK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O8 | C7 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C9 | sing | 1.48Å | 1.50Å | |
| C7 | C6 | sing | 1.48Å | 1.49Å | |
| C9 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | C2 | sing | 1.48Å | 1.43Å | Aromatic |
| C6 | N5 | doub | 1.32Å | 1.30Å | Aromatic |
| N1 | C2 | sing | 1.39Å | 1.36Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | N3 | doub | 1.31Å | 1.30Å | Aromatic |
| N5 | O4 | sing | 1.21Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | O4 | sing | 1.21Å | 1.38Å | Aromatic |
| C10 | H17 | sing | 1.08Å | 1.08Å | |
| C11 | H18 | sing | 1.08Å | 1.08Å | |
| C12 | H19 | sing | 1.08Å | 1.08Å | |
| C13 | H20 | sing | 1.08Å | 1.08Å | |
| C14 | H21 | sing | 1.08Å | 1.08Å | |
| N1 | H15 | sing | 0.97Å | 1.00Å | |
| N1 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O8 | C7 | C9 | 119.0° | 120.1° |
| O8 | C7 | C6 | 117.9° | 120.0° |
| C11 | C10 | C9 | 120.5° | 119.8° |
| C10 | C11 | C12 | 120.0° | 120.2° |
| C11 | C10 | H17 | 119.7° | 120.1° |
| C10 | C11 | H18 | 120.0° | 119.9° |
| C10 | C9 | C7 | 117.8° | 120.1° |
| C10 | C9 | C14 | 119.0° | 119.7° |
| C9 | C10 | H17 | 119.7° | 120.0° |
| C11 | C12 | C13 | 120.1° | 120.3° |
| C12 | C11 | H18 | 120.0° | 119.9° |
| C11 | C12 | H19 | 120.0° | 119.9° |
| C9 | C7 | C6 | 123.1° | 120.0° |
| C7 | C9 | C14 | 123.3° | 120.2° |
| C7 | C6 | C2 | 125.6° | 128.7° |
| C7 | C6 | N5 | 125.4° | 128.7° |
| C9 | C14 | C13 | 120.2° | 119.8° |
| C9 | C14 | H21 | 119.9° | 120.1° |
| C2 | C6 | N5 | 109.0° | 102.5° |
| C6 | C2 | N1 | 127.2° | 128.7° |
| C6 | C2 | N3 | 109.3° | 102.5° |
| C6 | N5 | O4 | 105.0° | 109.3° |
| N1 | C2 | N3 | 123.5° | 128.7° |
| C2 | N1 | H15 | 109.5° | 120.0° |
| C2 | N1 | H16 | 109.5° | 120.0° |
| C12 | C13 | C14 | 120.2° | 120.2° |
| C13 | C12 | H19 | 119.9° | 119.8° |
| C12 | C13 | H20 | 119.9° | 119.9° |
| C2 | N3 | O4 | 105.0° | 109.5° |
| N5 | O4 | N3 | 111.6° | 116.2° |
| C14 | C13 | H20 | 119.9° | 119.9° |
| C13 | C14 | H21 | 119.9° | 120.1° |
| H15 | N1 | H16 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | C7 | C9 | C10 | 10.9° | 0.0° |
| O8 | C7 | C9 | C6 | 179.9° | 180.0° |
| O8 | C7 | C9 | C14 | 169.2° | 179.9° |
| O8 | C7 | C6 | C2 | 19.9° | 0.1° |
| O8 | C7 | C6 | N5 | 160.0° | 180.0° |
| C11 | C10 | C9 | H17 | 180.0° | 179.7° |
| C10 | C11 | C12 | H18 | 180.0° | 180.0° |
| C11 | C10 | C9 | C7 | 179.9° | 180.0° |
| C11 | C10 | C9 | C14 | 0.0° | 0.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.0° |
| C10 | C11 | C12 | H19 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.0° | 0.0° |
| C10 | C9 | C7 | C14 | 179.9° | 180.0° |
| C10 | C9 | C7 | C6 | 169.0° | 180.0° |
| C10 | C9 | C14 | C13 | 0.0° | 0.0° |
| C9 | C10 | C11 | H18 | 180.0° | 180.0° |
| C10 | C9 | C14 | H21 | 179.9° | 179.9° |
| C11 | C12 | C13 | H19 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.0° |
| C12 | C11 | C10 | H17 | 180.0° | 179.7° |
| C11 | C12 | C13 | H20 | 180.0° | 180.0° |
| C9 | C7 | C6 | C2 | 160.2° | 180.0° |
| C9 | C7 | C6 | N5 | 19.9° | 0.0° |
| C7 | C9 | C14 | C13 | 180.0° | 180.0° |
| C7 | C9 | C10 | H17 | 0.0° | 0.3° |
| C7 | C9 | C14 | H21 | 0.0° | 0.1° |
| C6 | C7 | C9 | C14 | 10.9° | 0.0° |
| C7 | C6 | C2 | N5 | 179.9° | 180.0° |
| C7 | C6 | C2 | N1 | 0.1° | 0.2° |
| C7 | C6 | C2 | N3 | 179.9° | 180.0° |
| C7 | C6 | N5 | O4 | 179.9° | 180.0° |
| C9 | C14 | C13 | C12 | 0.0° | 0.0° |
| C9 | C14 | C13 | H21 | 180.0° | 179.9° |
| C14 | C9 | C10 | H17 | 180.0° | 179.7° |
| C9 | C14 | C13 | H20 | 180.0° | 179.9° |
| C6 | C2 | N1 | N3 | 180.0° | 179.7° |
| C2 | C6 | N5 | O4 | 0.0° | 0.1° |
| C6 | C2 | N3 | O4 | 0.0° | 0.0° |
| C6 | C2 | N1 | H15 | 180.0° | 179.7° |
| C6 | C2 | N1 | H16 | 60.0° | 0.2° |
| N5 | C6 | C2 | N1 | 180.0° | 179.7° |
| N5 | C6 | C2 | N3 | 0.0° | 0.0° |
| C6 | N5 | O4 | N3 | 0.1° | 0.1° |
| N1 | C2 | N3 | O4 | 180.0° | 179.8° |
| C2 | N1 | H15 | H16 | 120.0° | 179.9° |
| C12 | C13 | C14 | H20 | 180.0° | 180.0° |
| C13 | C12 | C11 | H18 | 180.0° | 180.0° |
| C12 | C13 | C14 | H21 | 180.0° | 179.9° |
| C2 | N3 | O4 | N5 | 0.0° | 0.1° |
| N3 | C2 | N1 | H15 | 0.0° | 0.0° |
| N3 | C2 | N1 | H16 | 120.0° | 180.0° |
| C14 | C13 | C12 | H19 | 180.0° | 180.0° |
| H17 | C10 | C11 | H18 | 0.0° | 0.3° |
| H18 | C11 | C12 | H19 | 0.0° | 0.0° |
| H19 | C12 | C13 | H20 | 0.0° | 0.0° |
| H20 | C13 | C14 | H21 | 0.0° | 0.0° |
