HIN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.52Å | 1.57Å | |
| C1 | CL | sing | 1.78Å | 117.83Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.52Å | 1.51Å | |
| C2 | H21 | sing | 1.10Å | 1.11Å | |
| C2 | H22 | sing | 1.10Å | 1.11Å | |
| C3 | C4 | sing | 1.52Å | 1.50Å | |
| C3 | O3 | doub | 1.23Å | 1.24Å | |
| C4 | N5 | sing | 1.44Å | 1.43Å | |
| C4 | C12 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| N5 | C6 | sing | 1.39Å | 1.32Å | |
| N5 | HN5 | sing | 1.02Å | 1.02Å | |
| C6 | C7 | sing | 1.52Å | 1.52Å | |
| C6 | O6 | doub | 1.23Å | 1.26Å | |
| C7 | N8 | sing | 1.44Å | 1.45Å | |
| C7 | C11 | sing | 1.52Å | 1.53Å | |
| C7 | H7 | sing | 1.10Å | 1.11Å | |
| N8 | C9 | sing | 1.38Å | 1.33Å | |
| N8 | HN8 | sing | 1.02Å | 1.02Å | |
| C9 | C10 | sing | 1.49Å | 1.55Å | |
| C9 | O9 | doub | 1.23Å | 1.24Å | |
| C10 | H101 | sing | 1.10Å | 1.12Å | |
| C10 | H102 | sing | 1.10Å | 1.11Å | |
| C10 | H103 | sing | 1.10Å | 1.12Å | |
| C11 | H111 | sing | 1.10Å | 1.12Å | |
| C11 | H112 | sing | 1.10Å | 1.12Å | |
| C11 | H113 | sing | 1.10Å | 1.11Å | |
| C12 | C1' | sing | 1.51Å | 1.48Å | |
| C12 | H121 | sing | 1.10Å | 1.11Å | |
| C12 | H122 | sing | 1.10Å | 1.11Å | |
| C1' | C2' | doub | 1.39Å | 1.40Å | Aromatic |
| C1' | C6' | sing | 1.39Å | 1.40Å | Aromatic |
| C2' | C3' | sing | 1.39Å | 1.40Å | Aromatic |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C3' | C4' | doub | 1.39Å | 1.41Å | Aromatic |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C4' | C5' | sing | 1.40Å | 1.38Å | Aromatic |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | C6' | doub | 1.39Å | 1.40Å | Aromatic |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C6' | H6' | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | CL | 118.2° | 111.3° |
| C2 | C1 | H11 | 109.1° | 111.9° |
| C2 | C1 | H12 | 109.1° | 110.2° |
| C1 | C2 | C3 | 112.6° | 114.0° |
| C1 | C2 | H21 | 111.1° | 110.2° |
| C1 | C2 | H22 | 111.1° | 108.9° |
| CL | C1 | H11 | 109.0° | 107.8° |
| CL | C1 | H12 | 109.0° | 107.1° |
| H11 | C1 | H12 | 101.0° | 108.3° |
| C3 | C2 | H21 | 111.1° | 109.0° |
| C3 | C2 | H22 | 111.1° | 106.7° |
| C2 | C3 | C4 | 117.1° | 116.1° |
| C2 | C3 | O3 | 122.7° | 122.3° |
| H21 | C2 | H22 | 99.3° | 107.9° |
| C4 | C3 | O3 | 119.1° | 121.6° |
| C3 | C4 | N5 | 105.9° | 105.8° |
| C3 | C4 | C12 | 107.5° | 111.9° |
| C3 | C4 | H4 | 111.6° | 109.6° |
| N5 | C4 | C12 | 104.9° | 110.8° |
| N5 | C4 | H4 | 113.9° | 106.5° |
| C4 | N5 | C6 | 124.1° | 122.7° |
| C4 | N5 | HN5 | 122.0° | 118.0° |
| C12 | C4 | H4 | 112.5° | 111.9° |
| C4 | C12 | C1' | 109.7° | 113.1° |
| C4 | C12 | H121 | 112.1° | 110.3° |
| C4 | C12 | H122 | 112.1° | 109.9° |
| C6 | N5 | HN5 | 113.9° | 119.2° |
| N5 | C6 | C7 | 109.4° | 112.2° |
| N5 | C6 | O6 | 125.7° | 124.7° |
| C7 | C6 | O6 | 124.9° | 123.1° |
| C6 | C7 | N8 | 116.0° | 108.0° |
| C6 | C7 | C11 | 110.3° | 111.0° |
| C6 | C7 | H7 | 106.4° | 109.5° |
| N8 | C7 | C11 | 115.3° | 111.3° |
| N8 | C7 | H7 | 100.2° | 106.8° |
| C7 | N8 | C9 | 121.3° | 123.4° |
| C7 | N8 | HN8 | 123.7° | 118.3° |
| C11 | C7 | H7 | 107.3° | 110.1° |
| C7 | C11 | H111 | 110.3° | 111.2° |
| C7 | C11 | H112 | 111.9° | 111.3° |
| C7 | C11 | H113 | 111.9° | 110.9° |
| C9 | N8 | HN8 | 115.1° | 118.3° |
| N8 | C9 | C10 | 117.3° | 114.2° |
| N8 | C9 | O9 | 123.5° | 126.2° |
| C10 | C9 | O9 | 119.2° | 119.5° |
| C9 | C10 | H101 | 117.4° | 112.4° |
| C9 | C10 | H102 | 109.4° | 112.4° |
| C9 | C10 | H103 | 109.4° | 115.3° |
| H101 | C10 | H102 | 109.4° | 105.3° |
| H101 | C10 | H103 | 109.3° | 105.2° |
| H102 | C10 | H103 | 100.8° | 105.3° |
| H111 | C11 | H112 | 111.8° | 107.6° |
| H111 | C11 | H113 | 111.9° | 107.6° |
| H112 | C11 | H113 | 98.5° | 108.1° |
| C1' | C12 | H121 | 112.1° | 109.6° |
| C1' | C12 | H122 | 112.2° | 108.3° |
| C12 | C1' | C2' | 117.6° | 119.4° |
| C12 | C1' | C6' | 122.5° | 119.3° |
| H121 | C12 | H122 | 98.3° | 105.2° |
| C2' | C1' | C6' | 119.9° | 121.3° |
| C1' | C2' | C3' | 119.2° | 119.4° |
| C1' | C2' | H2' | 120.4° | 121.1° |
| C1' | C6' | C5' | 121.2° | 119.4° |
| C1' | C6' | H6' | 119.5° | 121.1° |
| C3' | C2' | H2' | 120.4° | 119.5° |
| C2' | C3' | C4' | 119.6° | 120.0° |
| C2' | C3' | H3' | 119.8° | 120.0° |
| C4' | C3' | H3' | 120.5° | 120.0° |
| C3' | C4' | C5' | 121.6° | 120.0° |
| C3' | C4' | H4' | 120.2° | 120.0° |
| C5' | C4' | H4' | 118.1° | 120.0° |
| C4' | C5' | C6' | 118.1° | 120.0° |
| C4' | C5' | H5' | 120.3° | 120.0° |
| C6' | C5' | H5' | 121.6° | 120.0° |
| C5' | C6' | H6' | 119.3° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | CL | H11 | 125.3° | 123.1° |
| C2 | C1 | CL | H12 | 125.3° | 120.5° |
| C2 | C1 | H11 | H12 | 114.8° | 121.6° |
| C1 | C2 | C3 | H21 | 125.2° | 123.5° |
| C1 | C2 | C3 | H22 | 125.3° | 120.2° |
| C1 | C2 | H21 | H22 | 117.0° | 118.7° |
| C1 | C2 | C3 | C4 | 93.3° | 176.5° |
| C1 | C2 | C3 | O3 | 98.8° | 2.3° |
| CL | C1 | H11 | H12 | 114.8° | 115.6° |
| CL | C1 | C2 | C3 | 91.1° | 179.3° |
| CL | C1 | C2 | H21 | 34.1° | 57.9° |
| CL | C1 | C2 | H22 | 143.6° | 60.2° |
| H11 | C1 | C2 | C3 | 34.1° | 60.0° |
| H11 | C1 | C2 | H21 | 159.4° | 62.9° |
| H11 | C1 | C2 | H22 | 91.1° | 179.0° |
| H12 | C1 | C2 | C3 | 143.6° | 60.6° |
| H12 | C1 | C2 | H21 | 91.1° | 176.6° |
| H12 | C1 | C2 | H22 | 18.4° | 58.4° |
| C3 | C2 | H21 | H22 | 117.0° | 115.5° |
| C2 | C3 | C4 | O3 | 168.4° | 178.8° |
| C2 | C3 | C4 | N5 | 150.7° | 144.5° |
| C2 | C3 | C4 | C12 | 97.6° | 94.7° |
| C2 | C3 | C4 | H4 | 26.2° | 30.0° |
| H21 | C2 | C3 | C4 | 141.4° | 60.0° |
| H21 | C2 | C3 | O3 | 26.5° | 121.2° |
| H22 | C2 | C3 | C4 | 32.0° | 56.3° |
| H22 | C2 | C3 | O3 | 135.9° | 122.5° |
| C3 | C4 | N5 | C12 | 113.5° | 121.5° |
| C3 | C4 | N5 | H4 | 123.0° | 116.6° |
| C3 | C4 | C12 | H4 | 123.2° | 123.4° |
| C3 | C4 | N5 | C6 | 101.5° | 116.7° |
| C3 | C4 | N5 | HN5 | 78.4° | 65.9° |
| C3 | C4 | C12 | C1' | 168.8° | 163.4° |
| C3 | C4 | C12 | H121 | 65.9° | 73.4° |
| C3 | C4 | C12 | H122 | 43.5° | 42.2° |
| O3 | C3 | C4 | N5 | 41.0° | 36.6° |
| O3 | C3 | C4 | C12 | 70.8° | 84.2° |
| O3 | C3 | C4 | H4 | 165.4° | 151.1° |
| N5 | C4 | C12 | H4 | 124.3° | 118.8° |
| C4 | N5 | C6 | HN5 | 179.9° | 177.4° |
| C4 | N5 | C6 | C7 | 178.9° | 178.0° |
| C4 | N5 | C6 | O6 | 0.2° | 0.1° |
| N5 | C4 | C12 | C1' | 78.7° | 78.8° |
| N5 | C4 | C12 | H121 | 46.5° | 44.4° |
| N5 | C4 | C12 | H122 | 156.0° | 160.0° |
| C12 | C4 | N5 | C6 | 144.9° | 121.9° |
| C12 | C4 | N5 | HN5 | 35.1° | 55.5° |
| C4 | C12 | C1' | H121 | 125.2° | 123.6° |
| C4 | C12 | C1' | H122 | 125.3° | 122.1° |
| C4 | C12 | H121 | H122 | 118.0° | 118.5° |
| C4 | C12 | C1' | C2' | 46.2° | 90.0° |
| C4 | C12 | C1' | C6' | 132.6° | 90.0° |
| H4 | C4 | N5 | C6 | 21.4° | 0.1° |
| H4 | C4 | N5 | HN5 | 158.6° | 177.5° |
| H4 | C4 | C12 | C1' | 45.6° | 39.9° |
| H4 | C4 | C12 | H121 | 170.9° | 163.2° |
| H4 | C4 | C12 | H122 | 79.7° | 81.2° |
| N5 | C6 | C7 | O6 | 179.1° | 178.0° |
| N5 | C6 | C7 | N8 | 169.4° | 147.9° |
| N5 | C6 | C7 | C11 | 35.9° | 89.8° |
| N5 | C6 | C7 | H7 | 80.2° | 32.0° |
| HN5 | N5 | C6 | C7 | 1.1° | 4.6° |
| HN5 | N5 | C6 | O6 | 179.8° | 177.4° |
| C6 | C7 | N8 | C11 | 131.2° | 122.1° |
| C6 | C7 | N8 | H7 | 114.0° | 117.6° |
| C6 | C7 | C11 | H7 | 115.5° | 121.4° |
| C6 | C7 | N8 | C9 | 177.5° | 87.7° |
| C6 | C7 | N8 | HN8 | 2.4° | 92.3° |
| C6 | C7 | C11 | H111 | 179.9° | 58.0° |
| C6 | C7 | C11 | H112 | 54.8° | 61.9° |
| C6 | C7 | C11 | H113 | 54.7° | 177.7° |
| O6 | C6 | C7 | N8 | 9.7° | 34.1° |
| O6 | C6 | C7 | C11 | 143.2° | 88.2° |
| O6 | C6 | C7 | H7 | 100.7° | 150.1° |
| N8 | C7 | C11 | H7 | 110.6° | 118.3° |
| C7 | N8 | C9 | HN8 | 180.0° | 180.0° |
| C7 | N8 | C9 | C10 | 178.5° | 179.9° |
| C7 | N8 | C9 | O9 | 3.0° | 0.0° |
| N8 | C7 | C11 | H111 | 46.1° | 62.3° |
| N8 | C7 | C11 | H112 | 79.1° | 177.8° |
| N8 | C7 | C11 | H113 | 171.4° | 57.4° |
| C11 | C7 | N8 | C9 | 46.3° | 150.3° |
| C11 | C7 | N8 | HN8 | 133.6° | 29.8° |
| C7 | C11 | H111 | H112 | 125.2° | 122.1° |
| C7 | C11 | H111 | H113 | 125.3° | 121.6° |
| C7 | C11 | H112 | H113 | 117.8° | 122.0° |
| H7 | C7 | N8 | C9 | 68.5° | 30.0° |
| H7 | C7 | N8 | HN8 | 111.6° | 150.0° |
| H7 | C7 | C11 | H111 | 64.5° | 179.4° |
| H7 | C7 | C11 | H112 | 170.3° | 59.5° |
| H7 | C7 | C11 | H113 | 60.8° | 60.9° |
| N8 | C9 | C10 | O9 | 178.5° | 179.9° |
| N8 | C9 | C10 | H101 | 180.0° | 120.8° |
| N8 | C9 | C10 | H102 | 54.7° | 120.5° |
| N8 | C9 | C10 | H103 | 54.7° | 0.1° |
| HN8 | N8 | C9 | C10 | 1.5° | 0.1° |
| HN8 | N8 | C9 | O9 | 176.9° | 180.0° |
| C9 | C10 | H101 | H102 | 125.3° | 122.7° |
| C9 | C10 | H101 | H103 | 125.2° | 126.3° |
| C9 | C10 | H102 | H103 | 115.1° | 126.3° |
| O9 | C9 | C10 | H101 | 1.5° | 59.3° |
| O9 | C9 | C10 | H102 | 126.8° | 59.4° |
| O9 | C9 | C10 | H103 | 123.8° | 180.0° |
| H101 | C10 | H102 | H103 | 115.1° | 110.9° |
| H111 | C11 | H112 | H113 | 117.8° | 116.0° |
| C1' | C12 | H121 | H122 | 118.1° | 116.2° |
| C12 | C1' | C2' | C6' | 178.8° | 180.0° |
| C12 | C1' | C2' | C3' | 178.2° | 179.9° |
| C12 | C1' | C2' | H2' | 1.8° | 0.0° |
| C12 | C1' | C6' | C5' | 179.9° | 179.9° |
| C12 | C1' | C6' | H6' | 0.1° | 0.0° |
| H121 | C12 | C1' | C2' | 171.4° | 146.4° |
| H121 | C12 | C1' | C6' | 7.4° | 33.6° |
| H122 | C12 | C1' | C2' | 79.1° | 32.1° |
| H122 | C12 | C1' | C6' | 102.1° | 147.9° |
| C1' | C2' | C3' | H2' | 180.0° | 179.9° |
| C1' | C2' | C3' | C4' | 0.3° | 0.1° |
| C1' | C2' | C3' | H3' | 179.7° | 180.0° |
| C2' | C1' | C6' | C5' | 1.2° | 0.1° |
| C2' | C1' | C6' | H6' | 178.8° | 180.0° |
| C6' | C1' | C2' | C3' | 3.0° | 0.1° |
| C6' | C1' | C2' | H2' | 177.0° | 180.0° |
| C1' | C6' | C5' | C4' | 3.4° | 0.1° |
| C1' | C6' | C5' | H6' | 180.0° | 179.9° |
| C1' | C6' | C5' | H5' | 176.6° | 180.0° |
| C2' | C3' | C4' | H3' | 180.0° | 179.9° |
| C2' | C3' | C4' | C5' | 4.4° | 0.0° |
| C2' | C3' | C4' | H4' | 175.6° | 179.9° |
| H2' | C2' | C3' | C4' | 179.7° | 180.0° |
| H2' | C2' | C3' | H3' | 0.3° | 0.1° |
| C3' | C4' | C5' | H4' | 180.0° | 180.0° |
| C3' | C4' | C5' | C6' | 6.2° | 0.0° |
| C3' | C4' | C5' | H5' | 173.8° | 180.0° |
| H3' | C3' | C4' | C5' | 175.6° | 180.0° |
| H3' | C3' | C4' | H4' | 4.4° | 0.0° |
| C4' | C5' | C6' | H5' | 180.0° | 180.0° |
| C4' | C5' | C6' | H6' | 176.7° | 180.0° |
| H4' | C4' | C5' | C6' | 173.9° | 179.9° |
| H4' | C4' | C5' | H5' | 6.1° | 0.0° |
| H5' | C5' | C6' | H6' | 3.4° | 0.1° |
