VAR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.36Å | 1.37Å | |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C10 | doub | 1.40Å | 1.49Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
| N1 | C4 | doub | 1.33Å | 1.36Å | Aromatic |
| C4 | N2 | sing | 1.38Å | 1.35Å | Aromatic |
| C4 | C10 | sing | 1.40Å | 1.48Å | Aromatic |
| N2 | C5 | sing | 1.37Å | 1.35Å | Aromatic |
| N2 | C8 | sing | 1.38Å | 1.35Å | Aromatic |
| C5 | N3 | sing | 1.37Å | 1.35Å | |
| C5 | N4 | doub | 1.31Å | 1.36Å | Aromatic |
| N4 | C6 | sing | 1.34Å | 1.34Å | Aromatic |
| C6 | C7 | doub | 1.36Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.41Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.50Å | Aromatic |
| C9 | C10 | sing | 1.47Å | 1.49Å | Aromatic |
| C9 | C11 | sing | 1.47Å | 1.49Å | Aromatic |
| C11 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | N5 | doub | 1.34Å | 1.35Å | Aromatic |
| C14 | C13 | doub | 1.37Å | 1.39Å | Aromatic |
| C13 | N7 | sing | 1.33Å | 1.34Å | Aromatic |
| N7 | C12 | doub | 1.33Å | 1.36Å | Aromatic |
| C12 | N5 | sing | 1.32Å | 1.36Å | Aromatic |
| C12 | N6 | sing | 1.38Å | 1.36Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| N3 | HN3A | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 119.8° | 121.0° |
| O1 | C1 | C10 | 123.4° | 121.0° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C2 | C1 | C10 | 116.7° | 118.0° |
| C1 | C2 | C3 | 119.9° | 119.3° |
| C1 | C2 | H2 | 120.0° | 120.4° |
| C1 | C10 | C4 | 119.3° | 119.5° |
| C1 | C10 | C9 | 138.9° | 133.9° |
| C2 | C3 | N1 | 125.1° | 121.6° |
| C3 | C2 | H2 | 120.0° | 120.3° |
| C2 | C3 | H3 | 117.5° | 119.2° |
| C3 | N1 | C4 | 119.8° | 121.9° |
| N1 | C3 | H3 | 117.4° | 119.2° |
| N1 | C4 | N2 | 126.6° | 132.1° |
| N1 | C4 | C10 | 119.2° | 119.8° |
| N2 | C4 | C10 | 114.2° | 108.1° |
| C4 | N2 | C5 | 129.4° | 131.2° |
| C4 | N2 | C8 | 108.3° | 109.9° |
| C4 | C10 | C9 | 101.8° | 106.7° |
| C5 | N2 | C8 | 122.3° | 118.9° |
| N2 | C5 | N3 | 121.6° | 119.4° |
| N2 | C5 | N4 | 119.3° | 121.1° |
| N2 | C8 | C7 | 118.7° | 118.8° |
| N2 | C8 | C9 | 110.5° | 109.1° |
| N3 | C5 | N4 | 119.1° | 119.5° |
| C5 | N3 | HN3 | 109.5° | 120.1° |
| C5 | N3 | HN3A | 109.5° | 120.0° |
| C5 | N4 | C6 | 120.9° | 122.0° |
| N4 | C6 | C7 | 120.0° | 120.4° |
| N4 | C6 | H6 | 120.0° | 119.8° |
| C6 | C7 | C8 | 118.8° | 118.8° |
| C7 | C6 | H6 | 120.0° | 119.8° |
| C6 | C7 | H7 | 120.6° | 120.6° |
| C7 | C8 | C9 | 130.8° | 132.2° |
| C8 | C7 | H7 | 120.6° | 120.6° |
| C8 | C9 | C10 | 105.2° | 106.2° |
| C8 | C9 | C11 | 128.8° | 127.0° |
| C10 | C9 | C11 | 126.0° | 126.8° |
| C9 | C11 | C14 | 120.1° | 120.5° |
| C9 | C11 | N5 | 120.5° | 120.6° |
| C14 | C11 | N5 | 119.5° | 118.9° |
| C11 | C14 | C13 | 119.5° | 118.6° |
| C11 | C14 | H14 | 120.3° | 120.7° |
| C11 | N5 | C12 | 120.3° | 120.4° |
| C14 | C13 | N7 | 119.3° | 119.5° |
| C13 | C14 | H14 | 120.2° | 120.7° |
| C14 | C13 | H13 | 120.3° | 120.3° |
| C13 | N7 | C12 | 120.6° | 121.1° |
| N7 | C13 | H13 | 120.3° | 120.2° |
| N7 | C12 | N5 | 120.8° | 121.6° |
| N7 | C12 | N6 | 119.8° | 119.2° |
| N5 | C12 | N6 | 119.4° | 119.2° |
| C12 | N6 | HN6 | 109.5° | 120.0° |
| C12 | N6 | HN6A | 109.5° | 120.0° |
| HN3 | N3 | HN3A | 109.5° | 120.0° |
| HN6 | N6 | HN6A | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C10 | 179.9° | 179.7° |
| O1 | C1 | C2 | C3 | 179.5° | 180.0° |
| O1 | C1 | C10 | C4 | 180.0° | 179.8° |
| O1 | C1 | C10 | C9 | 0.3° | 0.6° |
| O1 | C1 | C2 | H2 | 0.5° | 0.1° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | N1 | 0.7° | 0.0° |
| C2 | C1 | C10 | C4 | 0.0° | 0.5° |
| C2 | C1 | C10 | C9 | 179.7° | 179.6° |
| C2 | C1 | O1 | HO1 | 145.2° | 90.0° |
| C1 | C2 | C3 | H3 | 179.3° | 180.0° |
| C10 | C1 | C2 | C3 | 0.5° | 0.3° |
| C1 | C10 | C4 | N1 | 0.3° | 0.5° |
| C1 | C10 | C4 | N2 | 179.9° | 179.7° |
| C1 | C10 | C4 | C9 | 179.8° | 179.4° |
| C1 | C10 | C9 | C8 | 179.9° | 179.6° |
| C1 | C10 | C9 | C11 | 0.8° | 0.6° |
| C10 | C1 | O1 | HO1 | 34.9° | 90.3° |
| C10 | C1 | C2 | H2 | 179.5° | 179.8° |
| C2 | C3 | N1 | H3 | 180.0° | 180.0° |
| C2 | C3 | N1 | C4 | 0.4° | 0.1° |
| C3 | N1 | C4 | N2 | 179.6° | 180.0° |
| C3 | N1 | C4 | C10 | 0.1° | 0.3° |
| N1 | C3 | C2 | H2 | 179.3° | 180.0° |
| N1 | C4 | N2 | C10 | 179.5° | 179.7° |
| N1 | C4 | N2 | C5 | 0.3° | 0.1° |
| N1 | C4 | N2 | C8 | 179.6° | 180.0° |
| N1 | C4 | C10 | C9 | 179.9° | 179.9° |
| C4 | N1 | C3 | H3 | 179.6° | 179.9° |
| C4 | N2 | C5 | C8 | 180.0° | 179.9° |
| C4 | N2 | C5 | N3 | 0.0° | 0.1° |
| C4 | N2 | C5 | N4 | 180.0° | 180.0° |
| C4 | N2 | C8 | C7 | 179.7° | 180.0° |
| C4 | N2 | C8 | C9 | 0.1° | 0.1° |
| N2 | C4 | C10 | C9 | 0.3° | 0.4° |
| C10 | C4 | N2 | C5 | 179.8° | 179.8° |
| C10 | C4 | N2 | C8 | 0.1° | 0.3° |
| C4 | C10 | C9 | C8 | 0.4° | 0.3° |
| C4 | C10 | C9 | C11 | 179.4° | 179.9° |
| N2 | C5 | N3 | N4 | 180.0° | 179.9° |
| N2 | C5 | N4 | C6 | 0.1° | 0.0° |
| C5 | N2 | C8 | C7 | 0.2° | 0.1° |
| C5 | N2 | C8 | C9 | 179.9° | 180.0° |
| N2 | C5 | N3 | HN3 | 37.1° | 0.0° |
| N2 | C5 | N3 | HN3A | 157.1° | 180.0° |
| C8 | N2 | C5 | N3 | 180.0° | 180.0° |
| C8 | N2 | C5 | N4 | 0.0° | 0.1° |
| N2 | C8 | C7 | C6 | 0.6° | 0.0° |
| N2 | C8 | C7 | C9 | 179.8° | 179.9° |
| N2 | C8 | C9 | C10 | 0.3° | 0.2° |
| N2 | C8 | C9 | C11 | 179.4° | 180.0° |
| N2 | C8 | C7 | H7 | 179.4° | 180.0° |
| N3 | C5 | N4 | C6 | 179.9° | 179.9° |
| C5 | N3 | HN3 | HN3A | 120.0° | 180.0° |
| C5 | N4 | C6 | C7 | 0.5° | 0.0° |
| N4 | C5 | N3 | HN3 | 142.9° | 180.0° |
| N4 | C5 | N3 | HN3A | 22.9° | 0.0° |
| C5 | N4 | C6 | H6 | 179.5° | 179.9° |
| N4 | C6 | C7 | H6 | 180.0° | 179.9° |
| N4 | C6 | C7 | C8 | 0.8° | 0.1° |
| N4 | C6 | C7 | H7 | 179.2° | 180.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 179.5° | 179.9° |
| C7 | C8 | C9 | C10 | 179.5° | 179.8° |
| C7 | C8 | C9 | C11 | 0.5° | 0.1° |
| C8 | C7 | C6 | H6 | 179.3° | 180.0° |
| C8 | C9 | C10 | C11 | 179.1° | 179.8° |
| C8 | C9 | C11 | C14 | 178.5° | 47.0° |
| C8 | C9 | C11 | N5 | 2.2° | 132.6° |
| C9 | C8 | C7 | H7 | 0.5° | 0.0° |
| C10 | C9 | C11 | C14 | 2.6° | 133.2° |
| C10 | C9 | C11 | N5 | 176.7° | 47.2° |
| C9 | C11 | C14 | N5 | 179.3° | 179.6° |
| C9 | C11 | C14 | C13 | 179.2° | 180.0° |
| C9 | C11 | N5 | C12 | 179.5° | 179.8° |
| C9 | C11 | C14 | H14 | 0.7° | 0.1° |
| C11 | C14 | C13 | H14 | 180.0° | 179.9° |
| C11 | C14 | C13 | N7 | 0.1° | 0.0° |
| C14 | C11 | N5 | C12 | 0.2° | 0.6° |
| C11 | C14 | C13 | H13 | 179.9° | 180.0° |
| N5 | C11 | C14 | C13 | 0.1° | 0.3° |
| C11 | N5 | C12 | N7 | 0.5° | 0.6° |
| C11 | N5 | C12 | N6 | 179.9° | 179.6° |
| N5 | C11 | C14 | H14 | 180.0° | 179.7° |
| C14 | C13 | N7 | H13 | 180.0° | 180.0° |
| C14 | C13 | N7 | C12 | 0.2° | 0.0° |
| C13 | N7 | C12 | N5 | 0.5° | 0.3° |
| C13 | N7 | C12 | N6 | 179.9° | 180.0° |
| N7 | C13 | C14 | H14 | 179.9° | 180.0° |
| N7 | C12 | N5 | N6 | 179.4° | 179.8° |
| C12 | N7 | C13 | H13 | 179.8° | 180.0° |
| N7 | C12 | N6 | HN6 | 89.4° | 0.1° |
| N7 | C12 | N6 | HN6A | 30.5° | 180.0° |
| N5 | C12 | N6 | HN6 | 90.0° | 179.6° |
| N5 | C12 | N6 | HN6A | 150.0° | 0.2° |
| C12 | N6 | HN6 | HN6A | 120.0° | 179.8° |
| H2 | C2 | C3 | H3 | 0.7° | 0.0° |
| H6 | C6 | C7 | H7 | 0.8° | 0.1° |
| H14 | C14 | C13 | H13 | 0.0° | 0.0° |
