U7Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | N3 | doub | 1.29Å | 1.27Å | Aromatic |
| N2 | N1 | sing | 1.29Å | 1.31Å | Aromatic |
| N3 | N4 | sing | 1.29Å | 1.55Å | Aromatic |
| N1 | C17 | sing | 1.46Å | 1.45Å | |
| N1 | C1 | sing | 1.36Å | 1.32Å | Aromatic |
| N4 | C1 | doub | 1.32Å | 1.26Å | Aromatic |
| C1 | C2 | sing | 1.48Å | 1.52Å | |
| C2 | N5 | doub | 1.33Å | 1.48Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.31Å | Aromatic |
| N5 | C6 | sing | 1.32Å | 1.28Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.49Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.52Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.28Å | Aromatic |
| C5 | C8 | sing | 1.48Å | 1.52Å | |
| C8 | C9 | doub | 1.39Å | 1.52Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.31Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.31Å | Aromatic |
| F1 | C7 | sing | 1.35Å | 1.36Å | |
| C7 | C12 | doub | 1.38Å | 1.52Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.52Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.31Å | Aromatic |
| C11 | N6 | sing | 1.40Å | 1.44Å | |
| O1 | C13 | doub | 1.22Å | 1.18Å | |
| N6 | C13 | sing | 1.34Å | 1.48Å | |
| N6 | C14 | sing | 1.47Å | 1.44Å | |
| C13 | O2 | sing | 1.34Å | 1.42Å | |
| C14 | C15 | sing | 1.54Å | 1.50Å | |
| O2 | C15 | sing | 1.46Å | 1.39Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | O3 | sing | 1.43Å | 1.19Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17C | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | N2 | N1 | 105.3° | 109.1° |
| N2 | N3 | N4 | 106.4° | 109.6° |
| N2 | N1 | C17 | 121.6° | 126.5° |
| N2 | N1 | C1 | 116.8° | 107.0° |
| N3 | N4 | C1 | 105.3° | 107.9° |
| C17 | N1 | C1 | 121.6° | 126.5° |
| N1 | C17 | H17A | 109.5° | 109.5° |
| N1 | C17 | H17C | 109.5° | 109.5° |
| N1 | C17 | H17B | 109.5° | 109.5° |
| N1 | C1 | N4 | 106.3° | 106.4° |
| N1 | C1 | C2 | 125.9° | 126.8° |
| N4 | C1 | C2 | 127.8° | 126.8° |
| C1 | C2 | N5 | 119.5° | 119.6° |
| C1 | C2 | C3 | 119.9° | 119.6° |
| N5 | C2 | C3 | 120.5° | 120.8° |
| C2 | N5 | C6 | 119.3° | 121.8° |
| C2 | C3 | C4 | 120.2° | 119.2° |
| C2 | C3 | H3 | 119.9° | 120.4° |
| N5 | C6 | C5 | 120.6° | 120.7° |
| N5 | C6 | H6 | 119.7° | 119.6° |
| C3 | C4 | C5 | 119.4° | 118.4° |
| C4 | C3 | H3 | 119.9° | 120.4° |
| C3 | C4 | H4 | 120.3° | 120.8° |
| C6 | C5 | C4 | 120.0° | 119.2° |
| C6 | C5 | C8 | 118.5° | 120.4° |
| C5 | C6 | H6 | 119.7° | 119.7° |
| C4 | C5 | C8 | 121.5° | 120.4° |
| C5 | C4 | H4 | 120.3° | 120.8° |
| C5 | C8 | C9 | 118.5° | 120.0° |
| C5 | C8 | C7 | 121.6° | 120.1° |
| C9 | C8 | C7 | 119.9° | 119.9° |
| C8 | C9 | C10 | 120.0° | 120.0° |
| C8 | C9 | H9 | 120.0° | 120.1° |
| C8 | C7 | F1 | 120.3° | 120.1° |
| C8 | C7 | C12 | 120.0° | 119.9° |
| C9 | C10 | C11 | 120.2° | 120.1° |
| C10 | C9 | H9 | 120.0° | 120.0° |
| C9 | C10 | H10 | 119.9° | 120.0° |
| F1 | C7 | C12 | 119.7° | 120.0° |
| C7 | C12 | C11 | 119.8° | 120.0° |
| C7 | C12 | H12 | 120.1° | 120.0° |
| C10 | C11 | C12 | 120.1° | 120.1° |
| C10 | C11 | N6 | 118.8° | 119.9° |
| C11 | C10 | H10 | 119.9° | 119.9° |
| C12 | C11 | N6 | 121.1° | 119.9° |
| C11 | C12 | H12 | 120.1° | 120.0° |
| C11 | N6 | C13 | 125.2° | 125.6° |
| C11 | N6 | C14 | 127.5° | 125.6° |
| O1 | C13 | N6 | 127.0° | 123.1° |
| O1 | C13 | O2 | 126.7° | 123.1° |
| C13 | N6 | C14 | 107.3° | 108.9° |
| N6 | C13 | O2 | 106.3° | 113.9° |
| N6 | C14 | C15 | 105.0° | 103.8° |
| N6 | C14 | H14B | 110.6° | 110.6° |
| N6 | C14 | H14A | 110.6° | 110.7° |
| C13 | O2 | C15 | 108.0° | 109.5° |
| C14 | C15 | O2 | 107.4° | 104.0° |
| C14 | C15 | C16 | 110.8° | 110.5° |
| C15 | C14 | H14B | 110.6° | 110.6° |
| C15 | C14 | H14A | 110.5° | 110.6° |
| C14 | C15 | H15 | 109.7° | 110.5° |
| O2 | C15 | C16 | 108.4° | 110.5° |
| O2 | C15 | H15 | 111.4° | 110.7° |
| C15 | C16 | O3 | 110.9° | 109.5° |
| C16 | C15 | H15 | 109.1° | 110.4° |
| C15 | C16 | H16A | 109.1° | 109.5° |
| C15 | C16 | H16B | 109.1° | 109.5° |
| O3 | C16 | H16A | 109.1° | 109.5° |
| O3 | C16 | H16B | 109.1° | 109.5° |
| C16 | O3 | H1 | 109.5° | 114.1° |
| H14B | C14 | H14A | 109.5° | 110.4° |
| H16A | C16 | H16B | 109.4° | 109.4° |
| H17A | C17 | H17C | 109.5° | 109.5° |
| H17A | C17 | H17B | 109.5° | 109.4° |
| H17C | C17 | H17B | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | N2 | N1 | C17 | 179.8° | 180.0° |
| N3 | N2 | N1 | C1 | 0.2° | 0.0° |
| N2 | N3 | N4 | C1 | 0.1° | 0.5° |
| N1 | N2 | N3 | N4 | 0.1° | 0.3° |
| N2 | N1 | C17 | C1 | 179.6° | 179.9° |
| N2 | N1 | C1 | N4 | 0.3° | 0.2° |
| N2 | N1 | C1 | C2 | 179.9° | 180.0° |
| N2 | N1 | C17 | H17A | 0.0° | 90.1° |
| N2 | N1 | C17 | H17C | 120.0° | 29.9° |
| N2 | N1 | C17 | H17B | 120.0° | 149.9° |
| N3 | N4 | C1 | N1 | 0.2° | 0.4° |
| N3 | N4 | C1 | C2 | 179.8° | 179.9° |
| C17 | N1 | C1 | N4 | 179.9° | 179.7° |
| C17 | N1 | C1 | C2 | 0.5° | 0.0° |
| N1 | C17 | H17A | H17C | 120.0° | 120.0° |
| N1 | C17 | H17A | H17B | 120.0° | 120.0° |
| N1 | C17 | H17C | H17B | 120.0° | 120.0° |
| N1 | C1 | N4 | C2 | 179.5° | 179.7° |
| N1 | C1 | C2 | N5 | 70.5° | 0.0° |
| N1 | C1 | C2 | C3 | 108.6° | 179.7° |
| C1 | N1 | C17 | H17A | 179.6° | 90.0° |
| C1 | N1 | C17 | H17C | 60.4° | 150.0° |
| C1 | N1 | C17 | H17B | 59.6° | 30.0° |
| N4 | C1 | C2 | N5 | 110.0° | 179.7° |
| N4 | C1 | C2 | C3 | 70.9° | 0.6° |
| C1 | C2 | N5 | C3 | 179.1° | 179.7° |
| C1 | C2 | N5 | C6 | 179.7° | 179.8° |
| C1 | C2 | C3 | C4 | 179.2° | 180.0° |
| C1 | C2 | C3 | H3 | 0.8° | 0.1° |
| N5 | C2 | C3 | C4 | 0.1° | 0.2° |
| C2 | N5 | C6 | C5 | 0.5° | 0.5° |
| N5 | C2 | C3 | H3 | 179.9° | 179.8° |
| C2 | N5 | C6 | H6 | 179.4° | 179.7° |
| C3 | C2 | N5 | C6 | 0.7° | 0.5° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.5° | 0.0° |
| C2 | C3 | C4 | H4 | 179.5° | 180.0° |
| N5 | C6 | C5 | H6 | 180.0° | 179.7° |
| N5 | C6 | C5 | C4 | 0.1° | 0.3° |
| N5 | C6 | C5 | C8 | 179.5° | 179.8° |
| C3 | C4 | C5 | C6 | 0.6° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C8 | 180.0° | 180.0° |
| C6 | C5 | C4 | C8 | 179.3° | 179.9° |
| C6 | C5 | C8 | C9 | 43.0° | 50.1° |
| C6 | C5 | C8 | C7 | 136.2° | 130.0° |
| C6 | C5 | C4 | H4 | 179.4° | 180.0° |
| C4 | C5 | C8 | C9 | 136.3° | 130.0° |
| C4 | C5 | C8 | C7 | 44.5° | 50.0° |
| C5 | C4 | C3 | H3 | 179.5° | 180.0° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C5 | C8 | C9 | C7 | 179.2° | 180.0° |
| C5 | C8 | C9 | C10 | 179.8° | 180.0° |
| C5 | C8 | C7 | F1 | 0.5° | 0.3° |
| C5 | C8 | C7 | C12 | 179.8° | 180.0° |
| C8 | C5 | C4 | H4 | 0.0° | 0.0° |
| C8 | C5 | C6 | H6 | 0.5° | 0.0° |
| C5 | C8 | C9 | H9 | 0.2° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C9 | C8 | C7 | F1 | 179.7° | 179.7° |
| C9 | C8 | C7 | C12 | 0.6° | 0.0° |
| C8 | C9 | C10 | C11 | 0.2° | 0.1° |
| C8 | C9 | C10 | H10 | 179.8° | 180.0° |
| C7 | C8 | C9 | C10 | 0.5° | 0.0° |
| C8 | C7 | F1 | C12 | 179.7° | 179.7° |
| C8 | C7 | C12 | C11 | 0.3° | 0.1° |
| C7 | C8 | C9 | H9 | 179.5° | 180.0° |
| C8 | C7 | C12 | H12 | 179.6° | 179.9° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.0° | 0.0° |
| C9 | C10 | C11 | N6 | 179.8° | 179.9° |
| F1 | C7 | C12 | C11 | 180.0° | 179.7° |
| F1 | C7 | C12 | H12 | 0.0° | 0.2° |
| C7 | C12 | C11 | C10 | 0.0° | 0.0° |
| C7 | C12 | C11 | H12 | 180.0° | 179.9° |
| C7 | C12 | C11 | N6 | 179.8° | 180.0° |
| C10 | C11 | C12 | N6 | 179.8° | 180.0° |
| C10 | C11 | N6 | C13 | 40.7° | 5.8° |
| C10 | C11 | N6 | C14 | 139.5° | 174.2° |
| C11 | C10 | C9 | H9 | 179.8° | 180.0° |
| C10 | C11 | C12 | H12 | 180.0° | 179.9° |
| C12 | C11 | N6 | C13 | 139.1° | 174.2° |
| C12 | C11 | N6 | C14 | 40.7° | 5.8° |
| C12 | C11 | C10 | H10 | 180.0° | 179.9° |
| C11 | N6 | C13 | O1 | 12.0° | 0.0° |
| C11 | N6 | C13 | C14 | 179.8° | 180.0° |
| C11 | N6 | C13 | O2 | 167.8° | 179.8° |
| C11 | N6 | C14 | C15 | 177.4° | 179.9° |
| N6 | C11 | C10 | H10 | 0.2° | 0.0° |
| N6 | C11 | C12 | H12 | 0.3° | 0.1° |
| C11 | N6 | C14 | H14B | 63.3° | 61.3° |
| C11 | N6 | C14 | H14A | 58.2° | 61.5° |
| O1 | C13 | N6 | O2 | 179.8° | 179.7° |
| O1 | C13 | N6 | C14 | 167.9° | 180.0° |
| O1 | C13 | O2 | C15 | 156.8° | 180.0° |
| C13 | N6 | C14 | C15 | 2.4° | 0.1° |
| N6 | C13 | O2 | C15 | 23.4° | 0.2° |
| C13 | N6 | C14 | H14B | 116.9° | 118.7° |
| C13 | N6 | C14 | H14A | 121.7° | 118.5° |
| C14 | N6 | C13 | O2 | 12.3° | 0.2° |
| N6 | C14 | C15 | H14B | 119.3° | 118.6° |
| N6 | C14 | C15 | H14A | 119.3° | 118.8° |
| N6 | C14 | C15 | O2 | 16.8° | 0.0° |
| N6 | C14 | C15 | C16 | 135.0° | 118.6° |
| N6 | C14 | H14B | H14A | 122.1° | 122.9° |
| N6 | C14 | C15 | H15 | 104.4° | 118.8° |
| C13 | O2 | C15 | C14 | 25.2° | 0.1° |
| C13 | O2 | C15 | C16 | 144.9° | 118.5° |
| C13 | O2 | C15 | H15 | 95.0° | 118.8° |
| C14 | C15 | O2 | C16 | 119.8° | 118.7° |
| C14 | C15 | O2 | H15 | 120.2° | 118.7° |
| C14 | C15 | C16 | H15 | 121.0° | 122.6° |
| C14 | C15 | C16 | O3 | 151.8° | 175.0° |
| C15 | C14 | H14B | H14A | 122.0° | 122.7° |
| C14 | C15 | C16 | H16A | 88.0° | 65.0° |
| C14 | C15 | C16 | H16B | 31.6° | 55.0° |
| O2 | C15 | C16 | H15 | 121.4° | 122.8° |
| O2 | C15 | C16 | O3 | 90.6° | 70.4° |
| O2 | C15 | C14 | H14B | 102.6° | 118.6° |
| O2 | C15 | C14 | H14A | 136.0° | 118.8° |
| O2 | C15 | C16 | H16A | 29.6° | 49.6° |
| O2 | C15 | C16 | H16B | 149.2° | 169.6° |
| C15 | C16 | O3 | H16A | 120.2° | 120.0° |
| C15 | C16 | O3 | H16B | 120.2° | 120.0° |
| C16 | C15 | C14 | H14B | 15.6° | 122.8° |
| C16 | C15 | C14 | H14A | 105.7° | 0.1° |
| C15 | C16 | H16A | H16B | 119.3° | 120.0° |
| C15 | C16 | O3 | H1 | 180.0° | 179.9° |
| O3 | C16 | C15 | H15 | 30.8° | 52.4° |
| O3 | C16 | H16A | H16B | 119.3° | 120.0° |
| H3 | C3 | C4 | H4 | 0.5° | 0.0° |
| H9 | C9 | C10 | H10 | 0.2° | 0.1° |
| H14B | C14 | C15 | H15 | 136.3° | 0.2° |
| H14A | C14 | C15 | H15 | 14.9° | 122.4° |
| H15 | C15 | C16 | H16A | 151.1° | 172.4° |
| H15 | C15 | C16 | H16B | 89.4° | 67.6° |
| H16A | C16 | O3 | H1 | 59.8° | 59.9° |
| H16B | C16 | O3 | H1 | 59.8° | 60.0° |
| H17A | C17 | H17C | H17B | 120.0° | 119.9° |
