A1IXC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C9 | sing | 1.50Å | 1.50Å | |
| N6 | C2 | sing | 1.47Å | 1.48Å | |
| N6 | C8 | sing | 1.47Å | 1.50Å | |
| C9 | C5 | sing | 1.53Å | 1.55Å | |
| C2 | C18 | sing | 1.53Å | 1.56Å | |
| C8 | C4 | sing | 1.53Å | 1.52Å | |
| C5 | C1 | sing | 1.53Å | 1.55Å | |
| C18 | C1 | sing | 1.53Å | 1.51Å | |
| C18 | O3 | sing | 1.43Å | 1.46Å | |
| C1 | C4 | sing | 1.53Å | 1.56Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | N6 | C2 | 112.3° | 111.5° |
| C9 | N6 | C8 | 106.8° | 109.5° |
| N6 | C9 | C5 | 109.3° | 109.0° |
| N6 | C9 | H7 | 109.5° | 109.5° |
| N6 | C9 | H8 | 109.5° | 109.5° |
| C2 | N6 | C8 | 109.5° | 111.7° |
| N6 | C2 | C18 | 107.9° | 109.3° |
| N6 | C2 | H2 | 109.9° | 109.5° |
| N6 | C2 | H3 | 109.9° | 109.5° |
| N6 | C8 | C4 | 109.0° | 109.4° |
| N6 | C8 | H5 | 109.6° | 109.5° |
| N6 | C8 | H6 | 109.6° | 109.5° |
| C9 | C5 | C1 | 107.8° | 108.8° |
| C5 | C9 | H7 | 109.5° | 110.4° |
| C5 | C9 | H8 | 109.5° | 108.9° |
| C9 | C5 | H12 | 109.9° | 109.5° |
| C9 | C5 | H13 | 109.9° | 109.6° |
| C2 | C18 | C1 | 111.1° | 108.9° |
| C2 | C18 | O3 | 107.5° | 109.6° |
| C18 | C2 | H2 | 109.9° | 109.4° |
| C18 | C2 | H3 | 109.8° | 109.5° |
| C2 | C18 | H14 | 109.7° | 109.6° |
| C8 | C4 | C1 | 108.4° | 108.8° |
| C4 | C8 | H5 | 109.6° | 108.4° |
| C4 | C8 | H6 | 109.6° | 110.6° |
| C8 | C4 | H10 | 109.7° | 109.6° |
| C8 | C4 | H11 | 109.7° | 109.6° |
| C5 | C1 | C18 | 105.4° | 109.2° |
| C5 | C1 | C4 | 104.2° | 108.6° |
| C5 | C1 | H1 | 111.3° | 110.1° |
| C1 | C5 | H12 | 109.9° | 109.6° |
| C1 | C5 | H13 | 109.9° | 109.6° |
| C1 | C18 | O3 | 107.3° | 109.5° |
| C18 | C1 | C4 | 112.6° | 108.6° |
| C18 | C1 | H1 | 111.8° | 110.1° |
| C1 | C18 | H14 | 110.2° | 109.5° |
| C18 | O3 | H9 | 109.5° | 114.0° |
| O3 | C18 | H14 | 111.0° | 109.7° |
| C4 | C1 | H1 | 111.2° | 110.1° |
| C1 | C4 | H10 | 109.8° | 109.6° |
| C1 | C4 | H11 | 109.7° | 109.6° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H7 | C9 | H8 | 109.5° | 109.5° |
| H10 | C4 | H11 | 109.5° | 109.7° |
| H12 | C5 | H13 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | N6 | C2 | C8 | 118.5° | 122.9° |
| N6 | C9 | C5 | H7 | 120.0° | 120.3° |
| N6 | C9 | C5 | H8 | 120.0° | 119.5° |
| C9 | N6 | C2 | C18 | 64.8° | 61.4° |
| C9 | N6 | C8 | C4 | 46.7° | 63.3° |
| N6 | C9 | C5 | C1 | 21.0° | 0.6° |
| C9 | N6 | C2 | H2 | 55.0° | 58.5° |
| C9 | N6 | C2 | H3 | 175.5° | 178.6° |
| C9 | N6 | C8 | H5 | 166.6° | 178.1° |
| C9 | N6 | C8 | H6 | 73.3° | 58.1° |
| N6 | C9 | H7 | H8 | 120.1° | 120.1° |
| N6 | C9 | C5 | H12 | 140.7° | 119.2° |
| N6 | C9 | C5 | H13 | 98.8° | 120.4° |
| C2 | N6 | C9 | C5 | 46.7° | 61.2° |
| N6 | C2 | C18 | H2 | 119.8° | 119.9° |
| N6 | C2 | C18 | H3 | 119.8° | 120.0° |
| C2 | N6 | C8 | C4 | 75.3° | 60.8° |
| N6 | C2 | C18 | C1 | 11.0° | 0.0° |
| N6 | C2 | C18 | O3 | 106.2° | 119.7° |
| N6 | C2 | H2 | H3 | 120.8° | 120.1° |
| C2 | N6 | C8 | H5 | 44.7° | 57.9° |
| C2 | N6 | C8 | H6 | 164.8° | 177.9° |
| C2 | N6 | C9 | H7 | 166.7° | 177.9° |
| C2 | N6 | C9 | H8 | 73.3° | 57.9° |
| N6 | C2 | C18 | H14 | 133.0° | 119.8° |
| C8 | N6 | C9 | C5 | 73.4° | 63.0° |
| C8 | N6 | C2 | C18 | 53.8° | 61.6° |
| N6 | C8 | C4 | H5 | 119.9° | 119.3° |
| N6 | C8 | C4 | H6 | 119.9° | 120.6° |
| N6 | C8 | C4 | C1 | 23.7° | 1.3° |
| C8 | N6 | C2 | H2 | 173.5° | 178.6° |
| C8 | N6 | C2 | H3 | 66.0° | 58.4° |
| N6 | C8 | H5 | H6 | 120.2° | 120.0° |
| C8 | N6 | C9 | H7 | 46.6° | 57.9° |
| C8 | N6 | C9 | H8 | 166.6° | 177.9° |
| N6 | C8 | C4 | H10 | 143.5° | 121.1° |
| N6 | C8 | C4 | H11 | 96.2° | 118.5° |
| C9 | C5 | C1 | H12 | 119.8° | 119.8° |
| C9 | C5 | C1 | H13 | 119.7° | 119.9° |
| C9 | C5 | C1 | C18 | 71.4° | 59.3° |
| C9 | C5 | C1 | C4 | 47.3° | 59.0° |
| C9 | C5 | C1 | H1 | 167.2° | 179.7° |
| C5 | C9 | H7 | H8 | 120.1° | 119.9° |
| C9 | C5 | H12 | H13 | 120.7° | 120.3° |
| C2 | C18 | C1 | C5 | 53.3° | 59.3° |
| C2 | C18 | C1 | O3 | 117.3° | 119.8° |
| C2 | C18 | C1 | H14 | 121.8° | 119.8° |
| C2 | C18 | O3 | H14 | 119.9° | 120.4° |
| C2 | C18 | C1 | C4 | 59.7° | 59.0° |
| C2 | C18 | C1 | H1 | 174.3° | 179.6° |
| C18 | C2 | H2 | H3 | 120.7° | 120.1° |
| C2 | C18 | O3 | H9 | 180.0° | 60.0° |
| C8 | C4 | C1 | C5 | 74.1° | 59.0° |
| C8 | C4 | C1 | C18 | 39.6° | 59.7° |
| C8 | C4 | C1 | H10 | 119.8° | 119.8° |
| C8 | C4 | C1 | H11 | 119.8° | 119.8° |
| C8 | C4 | C1 | H1 | 166.0° | 179.6° |
| C4 | C8 | H5 | H6 | 120.2° | 120.7° |
| C8 | C4 | H10 | H11 | 120.5° | 120.4° |
| C5 | C1 | C18 | C4 | 113.0° | 118.3° |
| C5 | C1 | C18 | H1 | 121.0° | 121.1° |
| C5 | C1 | C18 | O3 | 170.6° | 179.1° |
| C5 | C1 | C4 | H1 | 120.0° | 120.6° |
| C1 | C5 | C9 | H7 | 99.0° | 119.7° |
| C1 | C5 | C9 | H8 | 140.9° | 120.0° |
| C5 | C1 | C4 | H10 | 166.1° | 60.8° |
| C5 | C1 | C4 | H11 | 45.7° | 178.8° |
| C1 | C5 | H12 | H13 | 120.8° | 120.3° |
| C5 | C1 | C18 | H14 | 68.4° | 60.5° |
| C1 | C18 | O3 | H14 | 120.5° | 120.3° |
| C18 | C1 | C4 | H1 | 126.3° | 120.7° |
| C1 | C18 | C2 | H2 | 108.8° | 119.9° |
| C1 | C18 | C2 | H3 | 130.7° | 120.0° |
| C1 | C18 | O3 | H9 | 60.4° | 179.4° |
| C18 | C1 | C4 | H10 | 80.2° | 179.5° |
| C18 | C1 | C4 | H11 | 159.4° | 60.1° |
| C18 | C1 | C5 | H12 | 168.8° | 60.5° |
| C18 | C1 | C5 | H13 | 48.3° | 179.1° |
| O3 | C18 | C1 | C4 | 57.6° | 60.8° |
| O3 | C18 | C1 | H1 | 68.4° | 59.8° |
| O3 | C18 | C2 | H2 | 134.1° | 120.3° |
| O3 | C18 | C2 | H3 | 13.6° | 0.2° |
| C1 | C4 | C8 | H5 | 96.2° | 120.7° |
| C1 | C4 | C8 | H6 | 143.6° | 119.3° |
| C1 | C4 | H10 | H11 | 120.5° | 120.3° |
| C4 | C1 | C5 | H12 | 72.5° | 178.8° |
| C4 | C1 | C5 | H13 | 167.0° | 60.9° |
| C4 | C1 | C18 | H14 | 178.6° | 178.8° |
| H1 | C1 | C4 | H10 | 46.2° | 59.8° |
| H1 | C1 | C4 | H11 | 74.2° | 60.6° |
| H1 | C1 | C5 | H12 | 47.5° | 60.6° |
| H1 | C1 | C5 | H13 | 73.0° | 59.8° |
| H1 | C1 | C18 | H14 | 52.5° | 60.5° |
| H2 | C2 | C18 | H14 | 13.3° | 0.1° |
| H3 | C2 | C18 | H14 | 107.2° | 120.2° |
| H5 | C8 | C4 | H10 | 23.6° | 119.6° |
| H5 | C8 | C4 | H11 | 143.9° | 0.9° |
| H6 | C8 | C4 | H10 | 96.6° | 0.5° |
| H6 | C8 | C4 | H11 | 23.8° | 120.9° |
| H7 | C9 | C5 | H12 | 20.8° | 120.5° |
| H7 | C9 | C5 | H13 | 141.2° | 0.1° |
| H8 | C9 | C5 | H12 | 99.3° | 0.2° |
| H8 | C9 | C5 | H13 | 21.2° | 120.1° |
| H9 | O3 | C18 | H14 | 60.1° | 60.4° |
