HT5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C12 | doub | 1.21Å | 1.18Å | |
| C12 | SD | sing | 1.72Å | 1.57Å | |
| C12 | C11 | sing | 1.50Å | 1.51Å | |
| SD | C14 | sing | 1.82Å | 1.74Å | |
| C14 | C13 | sing | 1.54Å | 1.52Å | |
| C13 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | N2 | sing | 1.46Å | 1.44Å | |
| N2 | C10 | sing | 1.35Å | 1.33Å | |
| C10 | O1 | doub | 1.21Å | 1.19Å | |
| C10 | C9 | sing | 1.51Å | 1.46Å | |
| C9 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C1 | C50 | sing | 1.53Å | 1.52Å | |
| C50 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C8 | sing | 1.53Å | 1.51Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| N2 | HA | sing | 0.97Å | 1.00Å | |
| C9 | H9C1 | sing | 1.09Å | 1.10Å | |
| C9 | H9C2 | sing | 1.09Å | 1.10Å | |
| C2 | H2C1 | sing | 1.09Å | 1.10Å | |
| C2 | H2C2 | sing | 1.09Å | 1.10Å | |
| C1 | H1C1 | sing | 1.09Å | 1.10Å | |
| C1 | H1C2 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| C3 | H3C1 | sing | 1.09Å | 1.10Å | |
| C3 | H3C2 | sing | 1.09Å | 1.10Å | |
| C4 | H4C1 | sing | 1.09Å | 1.10Å | |
| C4 | H4C2 | sing | 1.09Å | 1.10Å | |
| C5 | H5C1 | sing | 1.09Å | 1.10Å | |
| C5 | H5C2 | sing | 1.09Å | 1.10Å | |
| C6 | H6C1 | sing | 1.09Å | 1.10Å | |
| C6 | H6C2 | sing | 1.09Å | 1.10Å | |
| C8 | H8C1 | sing | 1.09Å | 1.10Å | |
| C8 | H8C2 | sing | 1.09Å | 1.10Å | |
| C8 | H8C3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C12 | SD | 115.9° | 125.8° |
| O2 | C12 | C11 | 131.2° | 125.7° |
| SD | C12 | C11 | 112.9° | 108.5° |
| C12 | SD | C14 | 100.2° | 97.7° |
| C12 | C11 | C13 | 107.1° | 110.7° |
| C12 | C11 | N2 | 119.5° | 109.3° |
| C12 | C11 | H11 | 110.1° | 109.2° |
| SD | C14 | C13 | 104.9° | 104.4° |
| SD | C14 | H141 | 110.6° | 110.5° |
| SD | C14 | H142 | 110.6° | 110.4° |
| C14 | C13 | C11 | 109.7° | 106.9° |
| C13 | C14 | H141 | 110.6° | 110.5° |
| C13 | C14 | H142 | 110.6° | 110.5° |
| C14 | C13 | H131 | 109.4° | 110.0° |
| C14 | C13 | H132 | 109.4° | 110.0° |
| C13 | C11 | N2 | 98.2° | 109.3° |
| C13 | C11 | H11 | 109.9° | 109.2° |
| C11 | C13 | H131 | 109.4° | 110.0° |
| C11 | C13 | H132 | 109.4° | 110.0° |
| C11 | N2 | C10 | 110.9° | 120.0° |
| N2 | C11 | H11 | 111.1° | 109.2° |
| C11 | N2 | HA | 124.5° | 120.0° |
| N2 | C10 | O1 | 121.0° | 120.0° |
| N2 | C10 | C9 | 123.6° | 120.0° |
| C10 | N2 | HA | 124.5° | 120.0° |
| O1 | C10 | C9 | 115.5° | 120.0° |
| C10 | C9 | C2 | 101.9° | 109.5° |
| C10 | C9 | H9C1 | 111.4° | 109.5° |
| C10 | C9 | H9C2 | 111.3° | 109.5° |
| C9 | C2 | C1 | 112.4° | 109.5° |
| C2 | C9 | H9C1 | 111.3° | 109.5° |
| C2 | C9 | H9C2 | 111.4° | 109.4° |
| C9 | C2 | H2C1 | 108.7° | 109.5° |
| C9 | C2 | H2C2 | 108.7° | 109.4° |
| C2 | C1 | C50 | 114.4° | 109.5° |
| C1 | C2 | H2C1 | 108.7° | 109.5° |
| C1 | C2 | H2C2 | 108.7° | 109.5° |
| C2 | C1 | H1C1 | 108.2° | 109.5° |
| C2 | C1 | H1C2 | 108.3° | 109.5° |
| C1 | C50 | C3 | 114.5° | 109.5° |
| C50 | C1 | H1C1 | 108.2° | 109.4° |
| C50 | C1 | H1C2 | 108.2° | 109.5° |
| C1 | C50 | H501 | 108.2° | 109.4° |
| C1 | C50 | H502 | 108.2° | 109.5° |
| C50 | C3 | C4 | 112.4° | 109.5° |
| C3 | C50 | H501 | 108.2° | 109.5° |
| C3 | C50 | H502 | 108.2° | 109.5° |
| C50 | C3 | H3C1 | 108.7° | 109.5° |
| C50 | C3 | H3C2 | 108.7° | 109.5° |
| C3 | C4 | C5 | 113.9° | 109.5° |
| C4 | C3 | H3C1 | 108.7° | 109.4° |
| C4 | C3 | H3C2 | 108.7° | 109.4° |
| C3 | C4 | H4C1 | 108.3° | 109.5° |
| C3 | C4 | H4C2 | 108.4° | 109.5° |
| C4 | C5 | C6 | 113.6° | 109.4° |
| C5 | C4 | H4C1 | 108.4° | 109.4° |
| C5 | C4 | H4C2 | 108.3° | 109.5° |
| C4 | C5 | H5C1 | 108.5° | 109.4° |
| C4 | C5 | H5C2 | 108.4° | 109.4° |
| C5 | C6 | C8 | 113.1° | 109.4° |
| C6 | C5 | H5C1 | 108.4° | 109.5° |
| C6 | C5 | H5C2 | 108.5° | 109.5° |
| C5 | C6 | H6C1 | 108.6° | 109.5° |
| C5 | C6 | H6C2 | 108.6° | 109.5° |
| C8 | C6 | H6C1 | 108.6° | 109.4° |
| C8 | C6 | H6C2 | 108.6° | 109.5° |
| C6 | C8 | H8C1 | 109.5° | 109.5° |
| C6 | C8 | H8C2 | 109.5° | 109.4° |
| C6 | C8 | H8C3 | 109.5° | 109.4° |
| H141 | C14 | H142 | 109.5° | 110.5° |
| H131 | C13 | H132 | 109.5° | 110.0° |
| H9C1 | C9 | H9C2 | 109.4° | 109.4° |
| H2C1 | C2 | H2C2 | 109.5° | 109.4° |
| H1C1 | C1 | H1C2 | 109.5° | 109.5° |
| H501 | C50 | H502 | 109.5° | 109.4° |
| H3C1 | C3 | H3C2 | 109.5° | 109.5° |
| H4C1 | C4 | H4C2 | 109.5° | 109.4° |
| H5C1 | C5 | H5C2 | 109.4° | 109.5° |
| H6C1 | C6 | H6C2 | 109.5° | 109.5° |
| H8C1 | C8 | H8C2 | 109.5° | 109.5° |
| H8C1 | C8 | H8C3 | 109.4° | 109.5° |
| H8C2 | C8 | H8C3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C12 | SD | C11 | 178.4° | 179.9° |
| O2 | C12 | SD | C14 | 177.7° | 178.8° |
| O2 | C12 | C11 | C13 | 163.9° | 158.2° |
| O2 | C12 | C11 | N2 | 85.9° | 37.8° |
| O2 | C12 | C11 | H11 | 44.4° | 81.6° |
| C12 | SD | C14 | C13 | 13.0° | 18.9° |
| SD | C12 | C11 | C13 | 14.2° | 21.8° |
| SD | C12 | C11 | N2 | 96.0° | 142.1° |
| SD | C12 | C11 | H11 | 133.7° | 98.5° |
| C12 | SD | C14 | H141 | 106.3° | 137.6° |
| C12 | SD | C14 | H142 | 132.3° | 99.9° |
| C11 | C12 | SD | C14 | 0.7° | 1.2° |
| C12 | C11 | C13 | C14 | 23.5° | 36.0° |
| C12 | C11 | C13 | N2 | 124.4° | 120.4° |
| C12 | C11 | C13 | H11 | 119.6° | 120.2° |
| C12 | C11 | N2 | H11 | 129.9° | 119.4° |
| C12 | C11 | N2 | C10 | 149.9° | 85.1° |
| C12 | C11 | C13 | H131 | 143.5° | 155.4° |
| C12 | C11 | C13 | H132 | 96.5° | 83.3° |
| C12 | C11 | N2 | HA | 30.1° | 94.9° |
| SD | C14 | C13 | H141 | 119.3° | 118.7° |
| SD | C14 | C13 | H142 | 119.3° | 118.7° |
| SD | C14 | C13 | C11 | 22.5° | 32.8° |
| SD | C14 | H141 | H142 | 122.1° | 122.5° |
| SD | C14 | C13 | H131 | 142.6° | 152.2° |
| SD | C14 | C13 | H132 | 97.5° | 86.6° |
| C14 | C13 | C11 | H131 | 120.0° | 119.4° |
| C14 | C13 | C11 | H132 | 120.0° | 119.3° |
| C14 | C13 | C11 | N2 | 100.9° | 156.4° |
| C14 | C13 | C11 | H11 | 143.1° | 84.2° |
| C13 | C14 | H141 | H142 | 122.1° | 122.5° |
| C14 | C13 | H131 | H132 | 119.9° | 121.2° |
| C13 | C11 | N2 | H11 | 115.1° | 119.3° |
| C13 | C11 | N2 | C10 | 95.1° | 153.6° |
| C11 | C13 | C14 | H141 | 96.7° | 151.5° |
| C11 | C13 | C14 | H142 | 141.8° | 86.0° |
| C11 | C13 | H131 | H132 | 119.9° | 121.3° |
| C13 | C11 | N2 | HA | 84.9° | 26.4° |
| C11 | N2 | C10 | HA | 180.0° | 180.0° |
| C11 | N2 | C10 | O1 | 1.2° | 0.0° |
| C11 | N2 | C10 | C9 | 179.5° | 179.8° |
| N2 | C11 | C13 | H131 | 19.1° | 84.2° |
| N2 | C11 | C13 | H132 | 139.1° | 37.1° |
| N2 | C10 | O1 | C9 | 179.4° | 179.7° |
| N2 | C10 | C9 | C2 | 125.1° | 179.7° |
| C10 | N2 | C11 | H11 | 20.0° | 34.3° |
| N2 | C10 | C9 | H9C1 | 6.3° | 60.2° |
| N2 | C10 | C9 | H9C2 | 116.1° | 59.7° |
| O1 | C10 | C9 | C2 | 54.2° | 0.0° |
| O1 | C10 | N2 | HA | 178.8° | 180.0° |
| O1 | C10 | C9 | H9C1 | 173.0° | 120.0° |
| O1 | C10 | C9 | H9C2 | 64.6° | 120.0° |
| C10 | C9 | C2 | H9C1 | 118.8° | 120.1° |
| C10 | C9 | C2 | H9C2 | 118.8° | 120.0° |
| C10 | C9 | C2 | C1 | 73.3° | 180.0° |
| C9 | C10 | N2 | HA | 0.5° | 0.3° |
| C10 | C9 | H9C1 | H9C2 | 123.5° | 120.0° |
| C10 | C9 | C2 | H2C1 | 47.1° | 59.9° |
| C10 | C9 | C2 | H2C2 | 166.2° | 60.0° |
| C9 | C2 | C1 | H2C1 | 120.4° | 120.0° |
| C9 | C2 | C1 | H2C2 | 120.4° | 120.0° |
| C9 | C2 | C1 | C50 | 60.1° | 180.0° |
| C2 | C9 | H9C1 | H9C2 | 123.6° | 120.0° |
| C9 | C2 | H2C1 | H2C2 | 118.6° | 120.0° |
| C9 | C2 | C1 | H1C1 | 60.6° | 60.0° |
| C9 | C2 | C1 | H1C2 | 179.2° | 60.0° |
| C2 | C1 | C50 | H1C1 | 120.7° | 120.0° |
| C2 | C1 | C50 | H1C2 | 120.7° | 120.0° |
| C2 | C1 | C50 | C3 | 39.7° | 180.0° |
| C1 | C2 | C9 | H9C1 | 167.9° | 60.0° |
| C1 | C2 | C9 | H9C2 | 45.5° | 60.0° |
| C1 | C2 | H2C1 | H2C2 | 118.7° | 120.0° |
| C2 | C1 | H1C1 | H1C2 | 117.8° | 120.0° |
| C2 | C1 | C50 | H501 | 81.0° | 60.0° |
| C2 | C1 | C50 | H502 | 160.4° | 59.9° |
| C1 | C50 | C3 | H501 | 120.7° | 120.0° |
| C1 | C50 | C3 | H502 | 120.7° | 120.1° |
| C1 | C50 | C3 | C4 | 112.0° | 180.0° |
| C50 | C1 | C2 | H2C1 | 179.5° | 60.0° |
| C50 | C1 | C2 | H2C2 | 60.4° | 60.0° |
| C50 | C1 | H1C1 | H1C2 | 117.7° | 120.0° |
| C1 | C50 | H501 | H502 | 117.7° | 120.0° |
| C1 | C50 | C3 | H3C1 | 8.4° | 60.0° |
| C1 | C50 | C3 | H3C2 | 127.5° | 60.0° |
| C50 | C3 | C4 | H3C1 | 120.4° | 120.0° |
| C50 | C3 | C4 | H3C2 | 120.4° | 120.0° |
| C50 | C3 | C4 | C5 | 151.2° | 180.0° |
| C3 | C50 | C1 | H1C1 | 160.4° | 60.0° |
| C3 | C50 | C1 | H1C2 | 81.0° | 60.0° |
| C3 | C50 | H501 | H502 | 117.7° | 120.0° |
| C50 | C3 | H3C1 | H3C2 | 118.7° | 120.0° |
| C50 | C3 | C4 | H4C1 | 30.5° | 60.0° |
| C50 | C3 | C4 | H4C2 | 88.2° | 59.9° |
| C3 | C4 | C5 | H4C1 | 120.6° | 120.0° |
| C3 | C4 | C5 | H4C2 | 120.6° | 120.0° |
| C3 | C4 | C5 | C6 | 103.4° | 180.0° |
| C4 | C3 | C50 | H501 | 127.3° | 60.0° |
| C4 | C3 | C50 | H502 | 8.7° | 60.0° |
| C4 | C3 | H3C1 | H3C2 | 118.6° | 119.9° |
| C3 | C4 | H4C1 | H4C2 | 118.0° | 120.0° |
| C3 | C4 | C5 | H5C1 | 136.0° | 60.0° |
| C3 | C4 | C5 | H5C2 | 17.2° | 60.0° |
| C4 | C5 | C6 | H5C1 | 120.6° | 120.0° |
| C4 | C5 | C6 | H5C2 | 120.6° | 119.9° |
| C4 | C5 | C6 | C8 | 94.8° | 180.0° |
| C5 | C4 | C3 | H3C1 | 88.4° | 60.0° |
| C5 | C4 | C3 | H3C2 | 30.8° | 60.0° |
| C5 | C4 | H4C1 | H4C2 | 118.0° | 120.0° |
| C4 | C5 | H5C1 | H5C2 | 118.1° | 120.0° |
| C4 | C5 | C6 | H6C1 | 25.8° | 60.0° |
| C4 | C5 | C6 | H6C2 | 144.7° | 60.1° |
| C5 | C6 | C8 | H6C1 | 120.5° | 120.0° |
| C5 | C6 | C8 | H6C2 | 120.5° | 120.0° |
| C6 | C5 | C4 | H4C1 | 17.2° | 60.0° |
| C6 | C5 | C4 | H4C2 | 136.0° | 59.9° |
| C6 | C5 | H5C1 | H5C2 | 118.1° | 120.1° |
| C5 | C6 | H6C1 | H6C2 | 118.3° | 120.1° |
| C5 | C6 | C8 | H8C1 | 180.0° | 60.0° |
| C5 | C6 | C8 | H8C2 | 60.0° | 60.0° |
| C5 | C6 | C8 | H8C3 | 60.0° | 180.0° |
| C8 | C6 | C5 | H5C1 | 144.6° | 60.0° |
| C8 | C6 | C5 | H5C2 | 25.9° | 60.0° |
| C8 | C6 | H6C1 | H6C2 | 118.4° | 120.0° |
| C6 | C8 | H8C1 | H8C2 | 120.0° | 120.0° |
| C6 | C8 | H8C1 | H8C3 | 120.0° | 120.0° |
| C6 | C8 | H8C2 | H8C3 | 120.0° | 119.9° |
| H11 | C11 | C13 | H131 | 96.9° | 35.2° |
| H11 | C11 | C13 | H132 | 23.0° | 156.4° |
| H11 | C11 | N2 | HA | 160.0° | 145.7° |
| H141 | C14 | C13 | H131 | 23.3° | 89.1° |
| H141 | C14 | C13 | H132 | 143.2° | 32.2° |
| H142 | C14 | C13 | H131 | 98.1° | 33.5° |
| H142 | C14 | C13 | H132 | 21.8° | 154.7° |
| H9C1 | C9 | C2 | H2C1 | 71.7° | 180.0° |
| H9C1 | C9 | C2 | H2C2 | 47.5° | 60.0° |
| H9C2 | C9 | C2 | H2C1 | 165.9° | 60.0° |
| H9C2 | C9 | C2 | H2C2 | 75.0° | 180.0° |
| H2C1 | C2 | C1 | H1C1 | 59.8° | 180.0° |
| H2C1 | C2 | C1 | H1C2 | 58.8° | 60.0° |
| H2C2 | C2 | C1 | H1C1 | 178.9° | 60.0° |
| H2C2 | C2 | C1 | H1C2 | 60.4° | 180.0° |
| H1C1 | C1 | C50 | H501 | 39.7° | 180.0° |
| H1C1 | C1 | C50 | H502 | 78.9° | 60.0° |
| H1C2 | C1 | C50 | H501 | 158.3° | 60.0° |
| H1C2 | C1 | C50 | H502 | 39.7° | 180.0° |
| H501 | C50 | C3 | H3C1 | 112.3° | 180.0° |
| H501 | C50 | C3 | H3C2 | 6.8° | 60.0° |
| H502 | C50 | C3 | H3C1 | 129.1° | 60.0° |
| H502 | C50 | C3 | H3C2 | 111.7° | 180.0° |
| H3C1 | C3 | C4 | H4C1 | 151.0° | 179.9° |
| H3C1 | C3 | C4 | H4C2 | 32.3° | 60.1° |
| H3C2 | C3 | C4 | H4C1 | 89.9° | 60.0° |
| H3C2 | C3 | C4 | H4C2 | 151.4° | 180.0° |
| H4C1 | C4 | C5 | H5C1 | 103.4° | 60.0° |
| H4C1 | C4 | C5 | H5C2 | 137.9° | 180.0° |
| H4C2 | C4 | C5 | H5C1 | 15.3° | 180.0° |
| H4C2 | C4 | C5 | H5C2 | 103.4° | 60.0° |
| H5C1 | C5 | C6 | H6C1 | 94.8° | 180.0° |
| H5C1 | C5 | C6 | H6C2 | 24.1° | 59.9° |
| H5C2 | C5 | C6 | H6C1 | 146.4° | 59.9° |
| H5C2 | C5 | C6 | H6C2 | 94.7° | 180.0° |
| H6C1 | C6 | C8 | H8C1 | 59.4° | 60.0° |
| H6C1 | C6 | C8 | H8C2 | 179.5° | 180.0° |
| H6C1 | C6 | C8 | H8C3 | 60.5° | 60.0° |
| H6C2 | C6 | C8 | H8C1 | 59.5° | 180.0° |
| H6C2 | C6 | C8 | H8C2 | 60.5° | 60.0° |
| H6C2 | C6 | C8 | H8C3 | 179.4° | 60.0° |
| H8C1 | C8 | H8C2 | H8C3 | 119.9° | 120.1° |
