DIH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | doub | 1.22Å | 1.23Å | |
| C6 | N1 | sing | 1.35Å | 1.44Å | |
| C6 | C5 | sing | 1.41Å | 1.47Å | |
| N7 | C5 | sing | 1.37Å | 1.39Å | Aromatic |
| N7 | C8 | sing | 1.36Å | 1.31Å | Aromatic |
| N1 | C2 | sing | 1.36Å | 1.43Å | |
| C5 | C4 | doub | 1.40Å | 1.42Å | Aromatic |
| C8 | C9 | doub | 1.35Å | 1.39Å | Aromatic |
| C2 | N3 | doub | 1.30Å | 1.39Å | |
| C4 | C9 | sing | 1.41Å | 1.41Å | Aromatic |
| C4 | N3 | sing | 1.35Å | 1.44Å | |
| C9 | C10 | sing | 1.51Å | 1.48Å | |
| C10 | N1' | sing | 1.47Å | 1.44Å | |
| N1' | C6' | sing | 1.49Å | 1.45Å | |
| N1' | C2' | sing | 1.48Å | 1.44Å | |
| C6' | C4' | sing | 1.55Å | 1.47Å | |
| C2' | C3' | sing | 1.54Å | 1.48Å | |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| C5' | C4' | sing | 1.53Å | 1.49Å | |
| C4' | C3' | sing | 1.55Å | 1.49Å | |
| C3' | O3' | sing | 1.43Å | 1.41Å | |
| O5' | H1 | sing | 0.97Å | 0.95Å | |
| C5' | H2 | sing | 1.09Å | 1.10Å | |
| C5' | H3 | sing | 1.09Å | 1.10Å | |
| C4' | H4 | sing | 1.09Å | 1.10Å | |
| C6' | H5 | sing | 1.09Å | 1.10Å | |
| C6' | H6 | sing | 1.09Å | 1.10Å | |
| C3' | H7 | sing | 1.09Å | 1.10Å | |
| O3' | H8 | sing | 0.97Å | 0.95Å | |
| C2' | H9 | sing | 1.09Å | 1.10Å | |
| C2' | H10 | sing | 1.09Å | 1.10Å | |
| N1' | H11 | sing | 1.01Å | 1.00Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.08Å | 1.08Å | |
| N7 | H15 | sing | 0.97Å | 1.00Å | |
| N1 | H16 | sing | 0.97Å | 1.00Å | |
| C2 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | N1 | 118.8° | 120.8° |
| O6 | C6 | C5 | 126.7° | 120.7° |
| N1 | C6 | C5 | 114.5° | 118.4° |
| C6 | N1 | C2 | 124.5° | 120.6° |
| C6 | N1 | H16 | 117.7° | 119.7° |
| C6 | C5 | N7 | 130.7° | 134.2° |
| C6 | C5 | C4 | 118.9° | 118.5° |
| C5 | N7 | C8 | 104.4° | 108.8° |
| N7 | C5 | C4 | 110.3° | 107.3° |
| C5 | N7 | H15 | 127.8° | 125.6° |
| N7 | C8 | C9 | 115.3° | 109.4° |
| N7 | C8 | H14 | 122.3° | 125.3° |
| C8 | N7 | H15 | 127.8° | 125.6° |
| N1 | C2 | N3 | 121.1° | 122.1° |
| C2 | N1 | H16 | 117.7° | 119.7° |
| N1 | C2 | H17 | 119.5° | 119.0° |
| C5 | C4 | C9 | 105.7° | 106.6° |
| C5 | C4 | N3 | 125.5° | 119.4° |
| C8 | C9 | C4 | 104.2° | 107.9° |
| C8 | C9 | C10 | 129.9° | 126.1° |
| C9 | C8 | H14 | 122.4° | 125.3° |
| C2 | N3 | C4 | 115.5° | 121.0° |
| N3 | C2 | H17 | 119.5° | 118.9° |
| C9 | C4 | N3 | 128.7° | 134.0° |
| C4 | C9 | C10 | 125.9° | 126.1° |
| C9 | C10 | N1' | 129.7° | 109.5° |
| C9 | C10 | H12 | 104.2° | 109.5° |
| C9 | C10 | H13 | 104.2° | 109.5° |
| C10 | N1' | C6' | 111.1° | 110.1° |
| C10 | N1' | C2' | 116.5° | 110.2° |
| C10 | N1' | H11 | 110.0° | 110.3° |
| N1' | C10 | H12 | 104.2° | 109.5° |
| N1' | C10 | H13 | 104.2° | 109.5° |
| C6' | N1' | C2' | 98.7° | 105.8° |
| N1' | C6' | C4' | 107.2° | 103.2° |
| N1' | C6' | H5 | 110.0° | 110.6° |
| N1' | C6' | H6 | 110.0° | 110.8° |
| C6' | N1' | H11 | 109.9° | 110.2° |
| N1' | C2' | C3' | 107.1° | 107.0° |
| N1' | C2' | H9 | 110.1° | 109.9° |
| N1' | C2' | H10 | 110.0° | 110.1° |
| C2' | N1' | H11 | 110.1° | 110.2° |
| C6' | C4' | C5' | 109.1° | 110.7° |
| C6' | C4' | C3' | 107.5° | 102.9° |
| C6' | C4' | H4 | 109.1° | 110.9° |
| C4' | C6' | H5 | 110.0° | 110.7° |
| C4' | C6' | H6 | 110.0° | 110.7° |
| C2' | C3' | C4' | 96.1° | 105.2° |
| C2' | C3' | O3' | 119.9° | 110.3° |
| C2' | C3' | H7 | 107.6° | 110.4° |
| C3' | C2' | H9 | 110.1° | 109.9° |
| C3' | C2' | H10 | 110.1° | 109.9° |
| O5' | C5' | C4' | 127.5° | 109.4° |
| C5' | O5' | H1 | 109.5° | 114.0° |
| O5' | C5' | H2 | 104.8° | 109.5° |
| O5' | C5' | H3 | 104.8° | 109.4° |
| C5' | C4' | C3' | 113.6° | 110.8° |
| C4' | C5' | H2 | 104.8° | 109.5° |
| C4' | C5' | H3 | 104.8° | 109.5° |
| C5' | C4' | H4 | 108.8° | 110.7° |
| C4' | C3' | O3' | 116.2° | 110.3° |
| C3' | C4' | H4 | 108.7° | 110.7° |
| C4' | C3' | H7 | 107.5° | 110.3° |
| O3' | C3' | H7 | 108.5° | 110.2° |
| C3' | O3' | H8 | 109.5° | 114.0° |
| H2 | C5' | H3 | 109.5° | 109.5° |
| H5 | C6' | H6 | 109.5° | 110.5° |
| H9 | C2' | H10 | 109.4° | 110.0° |
| H12 | C10 | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | N1 | C5 | 179.9° | 180.0° |
| O6 | C6 | C5 | N7 | 0.1° | 0.0° |
| O6 | C6 | N1 | C2 | 180.0° | 180.0° |
| O6 | C6 | C5 | C4 | 179.9° | 179.7° |
| O6 | C6 | N1 | H16 | 0.0° | 0.0° |
| N1 | C6 | C5 | N7 | 180.0° | 180.0° |
| C6 | N1 | C2 | H16 | 180.0° | 179.9° |
| N1 | C6 | C5 | C4 | 0.2° | 0.3° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| C6 | N1 | C2 | H17 | 180.0° | 180.0° |
| C6 | C5 | N7 | C4 | 179.8° | 179.7° |
| C6 | C5 | N7 | C8 | 179.9° | 180.0° |
| C5 | C6 | N1 | C2 | 0.1° | 0.0° |
| C6 | C5 | C4 | C9 | 180.0° | 179.8° |
| C6 | C5 | C4 | N3 | 0.2° | 0.6° |
| C6 | C5 | N7 | H15 | 0.0° | 0.3° |
| C5 | C6 | N1 | H16 | 179.9° | 180.0° |
| C5 | N7 | C8 | H15 | 180.0° | 179.7° |
| C5 | N7 | C8 | C9 | 0.1° | 0.0° |
| N7 | C5 | C4 | C9 | 0.1° | 0.4° |
| N7 | C5 | C4 | N3 | 179.9° | 179.6° |
| C5 | N7 | C8 | H14 | 179.9° | 179.9° |
| C8 | N7 | C5 | C4 | 0.1° | 0.3° |
| N7 | C8 | C9 | H14 | 180.0° | 180.0° |
| N7 | C8 | C9 | C4 | 0.0° | 0.3° |
| N7 | C8 | C9 | C10 | 179.9° | 180.0° |
| N1 | C2 | N3 | H17 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.1° | 0.3° |
| C5 | C4 | C9 | C8 | 0.1° | 0.4° |
| C5 | C4 | N3 | C2 | 0.2° | 0.7° |
| C5 | C4 | C9 | N3 | 179.8° | 179.0° |
| C5 | C4 | C9 | C10 | 180.0° | 179.8° |
| C4 | C5 | N7 | H15 | 179.9° | 180.0° |
| C8 | C9 | C4 | C10 | 180.0° | 179.7° |
| C8 | C9 | C4 | N3 | 179.8° | 179.4° |
| C8 | C9 | C10 | N1' | 96.8° | 99.9° |
| C8 | C9 | C10 | H12 | 25.8° | 140.0° |
| C8 | C9 | C10 | H13 | 140.6° | 20.0° |
| C9 | C8 | N7 | H15 | 179.9° | 179.7° |
| C2 | N3 | C4 | C9 | 179.9° | 179.6° |
| N3 | C2 | N1 | H16 | 179.9° | 180.0° |
| C4 | C9 | C10 | N1' | 83.2° | 79.7° |
| C4 | C9 | C10 | H12 | 154.2° | 40.3° |
| C4 | C9 | C10 | H13 | 39.4° | 160.3° |
| C4 | C9 | C8 | H14 | 180.0° | 179.8° |
| N3 | C4 | C9 | C10 | 0.2° | 0.8° |
| C4 | N3 | C2 | H17 | 179.9° | 179.7° |
| C9 | C10 | N1' | H12 | 122.6° | 120.0° |
| C9 | C10 | N1' | H13 | 122.6° | 120.0° |
| C9 | C10 | N1' | C6' | 48.0° | 175.0° |
| C9 | C10 | N1' | C2' | 63.9° | 68.6° |
| C9 | C10 | N1' | H11 | 169.9° | 53.2° |
| C9 | C10 | H12 | H13 | 111.0° | 120.0° |
| C10 | C9 | C8 | H14 | 0.1° | 0.1° |
| C10 | N1' | C6' | C2' | 122.9° | 119.1° |
| C10 | N1' | C6' | H11 | 121.9° | 121.8° |
| C10 | N1' | C2' | H11 | 126.1° | 121.9° |
| C10 | N1' | C6' | C4' | 150.9° | 158.3° |
| C10 | N1' | C2' | C3' | 166.6° | 144.4° |
| C10 | N1' | C6' | H5 | 31.2° | 83.3° |
| C10 | N1' | C6' | H6 | 89.5° | 39.7° |
| C10 | N1' | C2' | H9 | 73.7° | 25.1° |
| C10 | N1' | C2' | H10 | 47.0° | 96.2° |
| N1' | C10 | H12 | H13 | 111.0° | 120.0° |
| C6' | N1' | C2' | H11 | 115.0° | 119.1° |
| N1' | C6' | C4' | H5 | 119.6° | 118.4° |
| N1' | C6' | C4' | H6 | 119.6° | 118.6° |
| C6' | N1' | C2' | C3' | 47.7° | 25.3° |
| N1' | C6' | C4' | C5' | 123.9° | 155.8° |
| N1' | C6' | C4' | C3' | 0.4° | 37.4° |
| N1' | C6' | C4' | H4 | 117.3° | 81.0° |
| N1' | C6' | H5 | H6 | 121.0° | 123.2° |
| C6' | N1' | C2' | H9 | 167.3° | 94.0° |
| C6' | N1' | C2' | H10 | 71.9° | 144.8° |
| C6' | N1' | C10 | H12 | 74.6° | 55.0° |
| C6' | N1' | C10 | H13 | 170.6° | 65.0° |
| C2' | N1' | C6' | C4' | 28.0° | 39.2° |
| N1' | C2' | C3' | H9 | 119.6° | 119.3° |
| N1' | C2' | C3' | H10 | 119.6° | 119.5° |
| N1' | C2' | C3' | C4' | 46.4° | 1.2° |
| N1' | C2' | C3' | O3' | 78.6° | 117.7° |
| C2' | N1' | C6' | H5 | 91.7° | 157.7° |
| C2' | N1' | C6' | H6 | 147.6° | 79.3° |
| N1' | C2' | C3' | H7 | 156.9° | 120.2° |
| N1' | C2' | H9 | H10 | 121.1° | 121.3° |
| C2' | N1' | C10 | H12 | 173.4° | 171.3° |
| C2' | N1' | C10 | H13 | 58.7° | 51.4° |
| C6' | C4' | C3' | C2' | 26.3° | 22.0° |
| C6' | C4' | C5' | O5' | 59.5° | 179.9° |
| C6' | C4' | C5' | C3' | 119.8° | 113.5° |
| C6' | C4' | C5' | H4 | 118.9° | 123.3° |
| C6' | C4' | C3' | H4 | 117.9° | 118.5° |
| C6' | C4' | C3' | O3' | 101.4° | 140.9° |
| C6' | C4' | C5' | H2 | 62.8° | 60.1° |
| C6' | C4' | C5' | H3 | 178.1° | 60.0° |
| C4' | C6' | H5 | H6 | 121.1° | 123.0° |
| C6' | C4' | C3' | H7 | 136.9° | 97.1° |
| C4' | C6' | N1' | H11 | 87.2° | 79.9° |
| C2' | C3' | C4' | C5' | 94.5° | 140.3° |
| C2' | C3' | C4' | O3' | 127.7° | 118.9° |
| C2' | C3' | C4' | H7 | 110.7° | 119.1° |
| C2' | C3' | O3' | H7 | 124.1° | 122.2° |
| C2' | C3' | C4' | H4 | 144.2° | 96.5° |
| C2' | C3' | O3' | H8 | 180.0° | 64.3° |
| C3' | C2' | H9 | H10 | 121.1° | 121.1° |
| C3' | C2' | N1' | H11 | 67.3° | 93.7° |
| O5' | C5' | C4' | H2 | 122.4° | 120.0° |
| O5' | C5' | C4' | H3 | 122.4° | 119.9° |
| O5' | C5' | C4' | C3' | 179.4° | 66.5° |
| O5' | C5' | H2 | H3 | 111.9° | 120.0° |
| O5' | C5' | C4' | H4 | 59.4° | 56.7° |
| C5' | C4' | C3' | H4 | 121.3° | 123.2° |
| C5' | C4' | C3' | O3' | 137.9° | 100.8° |
| C4' | C5' | O5' | H1 | 180.0° | 179.9° |
| C4' | C5' | H2 | H3 | 111.9° | 120.1° |
| C5' | C4' | C6' | H5 | 4.3° | 85.8° |
| C5' | C4' | C6' | H6 | 116.4° | 37.2° |
| C5' | C4' | C3' | H7 | 16.2° | 21.2° |
| C4' | C3' | O3' | H7 | 121.1° | 122.0° |
| C3' | C4' | C5' | H2 | 57.0° | 173.5° |
| C3' | C4' | C5' | H3 | 58.2° | 53.4° |
| C3' | C4' | C6' | H5 | 119.2° | 155.9° |
| C3' | C4' | C6' | H6 | 120.0° | 81.2° |
| C4' | C3' | O3' | H8 | 65.2° | 180.0° |
| C4' | C3' | C2' | H9 | 166.1° | 118.1° |
| C4' | C3' | C2' | H10 | 73.2° | 120.7° |
| O3' | C3' | C4' | H4 | 16.6° | 22.4° |
| O3' | C3' | C2' | H9 | 41.1° | 123.0° |
| O3' | C3' | C2' | H10 | 161.8° | 1.8° |
| H1 | O5' | C5' | H2 | 57.6° | 60.1° |
| H1 | O5' | C5' | H3 | 57.6° | 60.0° |
| H2 | C5' | C4' | H4 | 178.2° | 63.3° |
| H3 | C5' | C4' | H4 | 63.0° | 176.7° |
| H4 | C4' | C6' | H5 | 123.1° | 37.4° |
| H4 | C4' | C6' | H6 | 2.3° | 160.4° |
| H4 | C4' | C3' | H7 | 105.1° | 144.4° |
| H5 | C6' | N1' | H11 | 153.2° | 38.6° |
| H6 | C6' | N1' | H11 | 32.5° | 161.6° |
| H7 | C3' | O3' | H8 | 56.0° | 58.0° |
| H7 | C3' | C2' | H9 | 83.4° | 0.9° |
| H7 | C3' | C2' | H10 | 37.3° | 120.3° |
| H9 | C2' | N1' | H11 | 52.4° | 146.9° |
| H10 | C2' | N1' | H11 | 173.1° | 25.7° |
| H11 | N1' | C10 | H12 | 47.3° | 66.8° |
| H11 | N1' | C10 | H13 | 67.5° | 173.2° |
| H14 | C8 | N7 | H15 | 0.1° | 0.2° |
| H16 | N1 | C2 | H17 | 0.1° | 0.1° |
