A1A7G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.54Å | 1.54Å | |
| C10 | C9 | sing | 1.55Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | N5 | sing | 1.47Å | 1.47Å | |
| C9 | C8 | sing | 1.51Å | 1.52Å | |
| N5 | C8 | sing | 1.34Å | 1.42Å | |
| N5 | N4 | sing | 1.40Å | 1.34Å | |
| C8 | O1 | doub | 1.21Å | 1.21Å | |
| N4 | C7 | sing | 1.38Å | 1.40Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | C3 | sing | 1.51Å | 1.48Å | |
| C7 | C13 | doub | 1.40Å | 1.41Å | Aromatic |
| C7 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| C3 | C13 | sing | 1.46Å | 1.43Å | Aromatic |
| C3 | C4 | doub | 1.34Å | 1.40Å | Aromatic |
| C13 | C5 | sing | 1.41Å | 1.41Å | Aromatic |
| N3 | C6 | doub | 1.32Å | 1.36Å | Aromatic |
| C4 | N1 | sing | 1.37Å | 1.40Å | Aromatic |
| C6 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | N1 | sing | 1.37Å | 1.41Å | Aromatic |
| C5 | N2 | doub | 1.33Å | 1.35Å | Aromatic |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| N4 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C9 | 105.7° | 101.8° |
| C10 | C11 | C12 | 112.6° | 110.3° |
| C10 | C11 | N5 | 104.6° | 105.5° |
| C11 | C10 | H14 | 110.4° | 111.0° |
| C11 | C10 | H13 | 110.4° | 111.0° |
| C10 | C11 | H1 | 108.8° | 110.3° |
| C10 | C9 | C8 | 104.6° | 104.2° |
| C10 | C9 | H11 | 110.7° | 110.5° |
| C10 | C9 | H12 | 110.7° | 110.6° |
| C9 | C10 | H14 | 110.4° | 111.0° |
| C9 | C10 | H13 | 110.4° | 111.0° |
| C12 | C11 | N5 | 112.2° | 110.2° |
| C11 | C12 | H16 | 109.5° | 109.5° |
| C11 | C12 | H15 | 109.5° | 109.5° |
| C11 | C12 | H17 | 109.5° | 109.5° |
| C12 | C11 | H1 | 108.8° | 110.2° |
| C11 | N5 | C8 | 111.9° | 111.3° |
| C11 | N5 | N4 | 125.4° | 124.4° |
| N5 | C11 | H1 | 109.7° | 110.3° |
| C9 | C8 | N5 | 108.7° | 110.1° |
| C9 | C8 | O1 | 127.9° | 124.9° |
| C8 | C9 | H11 | 110.7° | 110.5° |
| C8 | C9 | H12 | 110.7° | 110.5° |
| C8 | N5 | N4 | 122.6° | 124.4° |
| N5 | C8 | O1 | 123.4° | 124.9° |
| N5 | N4 | C7 | 125.3° | 120.0° |
| N5 | N4 | H10 | 105.4° | 120.0° |
| N4 | C7 | C13 | 120.2° | 120.8° |
| N4 | C7 | N3 | 117.3° | 120.9° |
| C7 | N4 | H10 | 105.4° | 120.0° |
| C1 | C2 | C3 | 113.4° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C2 | C1 | H4 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.5° |
| C1 | C2 | H5 | 108.5° | 109.5° |
| C1 | C2 | H6 | 108.5° | 109.5° |
| C2 | C3 | C13 | 128.8° | 126.6° |
| C2 | C3 | C4 | 123.6° | 126.6° |
| C3 | C2 | H5 | 108.5° | 109.5° |
| C3 | C2 | H6 | 108.5° | 109.5° |
| C13 | C7 | N3 | 122.6° | 118.3° |
| C7 | C13 | C3 | 141.8° | 135.1° |
| C7 | C13 | C5 | 112.2° | 118.7° |
| C7 | N3 | C6 | 117.5° | 121.1° |
| C13 | C3 | C4 | 107.6° | 106.8° |
| C3 | C13 | C5 | 106.0° | 106.2° |
| C3 | C4 | N1 | 110.0° | 109.8° |
| C3 | C4 | H7 | 125.0° | 125.1° |
| C13 | C5 | N1 | 110.2° | 107.2° |
| C13 | C5 | N2 | 128.5° | 118.6° |
| N3 | C6 | N2 | 127.2° | 122.7° |
| N3 | C6 | H9 | 116.4° | 118.7° |
| C4 | N1 | C5 | 106.2° | 110.0° |
| N1 | C4 | H7 | 125.0° | 125.1° |
| C4 | N1 | H8 | 126.9° | 125.0° |
| C6 | N2 | C5 | 112.0° | 120.7° |
| N2 | C6 | H9 | 116.4° | 118.6° |
| N1 | C5 | N2 | 121.3° | 134.3° |
| C5 | N1 | H8 | 126.9° | 125.0° |
| H11 | C9 | H12 | 109.5° | 110.4° |
| H16 | C12 | H15 | 109.5° | 109.4° |
| H16 | C12 | H17 | 109.4° | 109.4° |
| H15 | C12 | H17 | 109.5° | 109.5° |
| H3 | C1 | H4 | 109.5° | 109.5° |
| H3 | C1 | H2 | 109.5° | 109.4° |
| H4 | C1 | H2 | 109.5° | 109.5° |
| H14 | C10 | H13 | 109.5° | 110.9° |
| H5 | C2 | H6 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C9 | H14 | 119.4° | 118.1° |
| C11 | C10 | C9 | H13 | 119.4° | 118.2° |
| C10 | C11 | C12 | N5 | 117.7° | 116.1° |
| C10 | C11 | C12 | H1 | 120.8° | 122.0° |
| C10 | C11 | N5 | H1 | 116.6° | 119.1° |
| C11 | C10 | C9 | C8 | 19.8° | 24.8° |
| C10 | C11 | N5 | C8 | 14.8° | 17.0° |
| C10 | C11 | N5 | N4 | 168.6° | 163.0° |
| C11 | C10 | C9 | H11 | 99.4° | 143.5° |
| C11 | C10 | C9 | H12 | 139.0° | 93.9° |
| C10 | C11 | C12 | H16 | 180.0° | 60.0° |
| C10 | C11 | C12 | H15 | 60.0° | 180.0° |
| C10 | C11 | C12 | H17 | 60.0° | 60.0° |
| C11 | C10 | H14 | H13 | 121.8° | 123.8° |
| C9 | C10 | C11 | C12 | 143.1° | 93.6° |
| C9 | C10 | C11 | N5 | 21.1° | 25.4° |
| C10 | C9 | C8 | H11 | 119.2° | 118.7° |
| C10 | C9 | C8 | H12 | 119.2° | 118.8° |
| C10 | C9 | C8 | N5 | 11.2° | 16.3° |
| C10 | C9 | C8 | O1 | 168.3° | 163.7° |
| C10 | C9 | H11 | H12 | 122.2° | 122.6° |
| C9 | C10 | H14 | H13 | 121.7° | 123.8° |
| C9 | C10 | C11 | H1 | 96.1° | 144.5° |
| C12 | C11 | N5 | H1 | 121.1° | 121.9° |
| C12 | C11 | N5 | C8 | 137.2° | 102.0° |
| C12 | C11 | N5 | N4 | 46.3° | 78.0° |
| C11 | C12 | H16 | H15 | 120.0° | 120.0° |
| C11 | C12 | H16 | H17 | 120.0° | 120.0° |
| C11 | C12 | H15 | H17 | 120.0° | 120.0° |
| C12 | C11 | C10 | H14 | 97.4° | 24.5° |
| C12 | C11 | C10 | H13 | 23.8° | 148.3° |
| C11 | N5 | C8 | C9 | 2.3° | 0.4° |
| C11 | N5 | C8 | N4 | 176.6° | 180.0° |
| C11 | N5 | C8 | O1 | 178.1° | 179.6° |
| C11 | N5 | N4 | C7 | 116.2° | 105.0° |
| N5 | C11 | C12 | H16 | 62.4° | 176.1° |
| N5 | C11 | C12 | H15 | 57.7° | 64.0° |
| N5 | C11 | C12 | H17 | 177.7° | 56.1° |
| N5 | C11 | C10 | H14 | 140.5° | 143.5° |
| N5 | C11 | C10 | H13 | 98.3° | 92.7° |
| C11 | N5 | N4 | H10 | 5.9° | 75.0° |
| C9 | C8 | N5 | O1 | 179.6° | 180.0° |
| C9 | C8 | N5 | N4 | 179.0° | 179.6° |
| C8 | C9 | H11 | H12 | 122.3° | 122.6° |
| C8 | C9 | C10 | H14 | 139.2° | 142.9° |
| C8 | C9 | C10 | H13 | 99.6° | 93.4° |
| C8 | N5 | N4 | C7 | 67.6° | 75.0° |
| N5 | C8 | C9 | H11 | 108.0° | 134.9° |
| N5 | C8 | C9 | H12 | 130.4° | 102.5° |
| C8 | N5 | C11 | H1 | 101.7° | 136.1° |
| C8 | N5 | N4 | H10 | 170.3° | 105.0° |
| N4 | N5 | C8 | O1 | 1.5° | 0.3° |
| N5 | N4 | C7 | H10 | 122.1° | 180.0° |
| N5 | N4 | C7 | C13 | 173.4° | 180.0° |
| N5 | N4 | C7 | N3 | 6.6° | 0.0° |
| N4 | N5 | C11 | H1 | 74.8° | 44.0° |
| O1 | C8 | C9 | H11 | 72.5° | 45.0° |
| O1 | C8 | C9 | H12 | 49.1° | 77.5° |
| N4 | C7 | C13 | N3 | 180.0° | 180.0° |
| N4 | C7 | C13 | C3 | 1.0° | 0.0° |
| N4 | C7 | C13 | C5 | 180.0° | 180.0° |
| N4 | C7 | N3 | C6 | 179.9° | 180.0° |
| C1 | C2 | C3 | H5 | 120.6° | 120.0° |
| C1 | C2 | C3 | H6 | 120.6° | 120.0° |
| C1 | C2 | C3 | C13 | 73.0° | 85.0° |
| C1 | C2 | C3 | C4 | 104.9° | 95.0° |
| C2 | C1 | H3 | H4 | 120.0° | 120.0° |
| C2 | C1 | H3 | H2 | 120.0° | 119.9° |
| C2 | C1 | H4 | H2 | 120.0° | 120.0° |
| C1 | C2 | H5 | H6 | 118.2° | 120.0° |
| C2 | C3 | C13 | C7 | 2.2° | 0.0° |
| C2 | C3 | C13 | C4 | 178.2° | 180.0° |
| C2 | C3 | C13 | C5 | 178.8° | 180.0° |
| C2 | C3 | C4 | N1 | 178.8° | 180.0° |
| C3 | C2 | C1 | H3 | 180.0° | 60.1° |
| C3 | C2 | C1 | H4 | 60.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 180.0° |
| C3 | C2 | H5 | H6 | 118.2° | 120.0° |
| C2 | C3 | C4 | H7 | 1.2° | 0.0° |
| C7 | C13 | C3 | C5 | 179.1° | 180.0° |
| C7 | C13 | C3 | C4 | 179.6° | 180.0° |
| C13 | C7 | N3 | C6 | 0.1° | 0.0° |
| C7 | C13 | C5 | N1 | 179.9° | 180.0° |
| C7 | C13 | C5 | N2 | 0.1° | 0.0° |
| C13 | C7 | N4 | H10 | 64.5° | 0.0° |
| N3 | C7 | C13 | C3 | 179.1° | 180.0° |
| N3 | C7 | C13 | C5 | 0.0° | 0.0° |
| C7 | N3 | C6 | N2 | 0.1° | 0.0° |
| C7 | N3 | C6 | H9 | 179.8° | 180.0° |
| N3 | C7 | N4 | H10 | 115.5° | 180.0° |
| C13 | C3 | C4 | N1 | 0.5° | 0.0° |
| C3 | C13 | C5 | N1 | 0.5° | 0.0° |
| C3 | C13 | C5 | N2 | 179.3° | 180.0° |
| C13 | C3 | C2 | H5 | 47.6° | 155.0° |
| C13 | C3 | C2 | H6 | 166.4° | 35.0° |
| C13 | C3 | C4 | H7 | 179.5° | 180.0° |
| C4 | C3 | C13 | C5 | 0.6° | 0.0° |
| C3 | C4 | N1 | H7 | 180.0° | 179.9° |
| C3 | C4 | N1 | C5 | 0.2° | 0.0° |
| C4 | C3 | C2 | H5 | 134.5° | 25.0° |
| C4 | C3 | C2 | H6 | 15.7° | 145.0° |
| C3 | C4 | N1 | H8 | 179.8° | 180.0° |
| C13 | C5 | N1 | C4 | 0.2° | 0.0° |
| C13 | C5 | N2 | C6 | 0.1° | 0.0° |
| C13 | C5 | N1 | N2 | 179.8° | 180.0° |
| C13 | C5 | N1 | H8 | 179.8° | 180.0° |
| N3 | C6 | N2 | H9 | 180.0° | 180.0° |
| N3 | C6 | N2 | C5 | 0.0° | 0.0° |
| C4 | N1 | C5 | H8 | 180.0° | 180.0° |
| C4 | N1 | C5 | N2 | 179.6° | 180.0° |
| C6 | N2 | C5 | N1 | 179.8° | 180.0° |
| C5 | N1 | C4 | H7 | 179.8° | 180.0° |
| C5 | N2 | C6 | H9 | 179.9° | 180.0° |
| N2 | C5 | N1 | H8 | 0.4° | 0.0° |
| H11 | C9 | C10 | H14 | 20.0° | 98.4° |
| H11 | C9 | C10 | H13 | 141.2° | 25.4° |
| H12 | C9 | C10 | H14 | 101.6° | 24.2° |
| H12 | C9 | C10 | H13 | 19.6° | 147.9° |
| H16 | C12 | H15 | H17 | 120.0° | 120.0° |
| H16 | C12 | C11 | H1 | 59.2° | 62.0° |
| H15 | C12 | C11 | H1 | 179.2° | 58.0° |
| H17 | C12 | C11 | H1 | 60.8° | 178.1° |
| H3 | C1 | H4 | H2 | 120.0° | 120.0° |
| H3 | C1 | C2 | H5 | 59.4° | 179.9° |
| H3 | C1 | C2 | H6 | 59.4° | 60.0° |
| H4 | C1 | C2 | H5 | 60.6° | 60.0° |
| H4 | C1 | C2 | H6 | 179.4° | 180.0° |
| H2 | C1 | C2 | H5 | 179.4° | 60.0° |
| H2 | C1 | C2 | H6 | 60.6° | 59.9° |
| H14 | C10 | C11 | H1 | 23.3° | 97.4° |
| H13 | C10 | C11 | H1 | 144.5° | 26.4° |
| H7 | C4 | N1 | H8 | 0.2° | 0.0° |
