DHP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.34Å | 1.32Å | |
| N1 | C3 | sing | 1.34Å | 1.35Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C1 | O3 | sing | 1.35Å | 1.18Å | |
| C1 | C2 | sing | 1.49Å | 1.32Å | |
| C1 | C4 | doub | 1.35Å | 1.38Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C2 | O2 | doub | 1.21Å | 1.36Å | |
| C3 | O1 | doub | 1.21Å | 1.47Å | |
| C3 | C4 | sing | 1.47Å | 1.35Å | |
| C4 | C5 | sing | 1.51Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | sing | 1.53Å | 1.57Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C14 | H143 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C3 | 107.7° | 109.7° |
| C2 | N1 | HN1 | 125.1° | 125.1° |
| N1 | C2 | C1 | 108.0° | 108.2° |
| N1 | C2 | O2 | 122.8° | 125.9° |
| C3 | N1 | HN1 | 127.2° | 125.1° |
| N1 | C3 | O1 | 101.0° | 125.6° |
| N1 | C3 | C4 | 110.2° | 108.8° |
| O3 | C1 | C2 | 128.0° | 126.8° |
| O3 | C1 | C4 | 121.5° | 126.7° |
| C1 | O3 | HO3 | 128.0° | 106.8° |
| C2 | C1 | C4 | 110.5° | 106.5° |
| C1 | C2 | O2 | 129.2° | 125.9° |
| C1 | C4 | C3 | 103.2° | 106.8° |
| C1 | C4 | C5 | 127.3° | 126.6° |
| O1 | C3 | C4 | 148.9° | 125.6° |
| C3 | C4 | C5 | 129.4° | 126.6° |
| C4 | C5 | C6 | 113.7° | 109.5° |
| C4 | C5 | H51 | 110.6° | 109.4° |
| C4 | C5 | H52 | 110.6° | 109.4° |
| C6 | C5 | H51 | 110.7° | 109.5° |
| C6 | C5 | H52 | 110.7° | 109.5° |
| C5 | C6 | C7 | 112.5° | 109.4° |
| C5 | C6 | H61 | 111.1° | 109.4° |
| C5 | C6 | H62 | 111.1° | 109.4° |
| H51 | C5 | H52 | 99.6° | 109.4° |
| C7 | C6 | H61 | 111.1° | 109.5° |
| C7 | C6 | H62 | 111.1° | 109.5° |
| C6 | C7 | C8 | 113.1° | 109.4° |
| C6 | C7 | H71 | 110.9° | 109.5° |
| C6 | C7 | H72 | 110.9° | 109.5° |
| H61 | C6 | H62 | 99.2° | 109.6° |
| C8 | C7 | H71 | 110.8° | 109.4° |
| C8 | C7 | H72 | 110.9° | 109.5° |
| C7 | C8 | C9 | 112.5° | 109.5° |
| C7 | C8 | H81 | 111.1° | 109.5° |
| C7 | C8 | H82 | 111.1° | 109.5° |
| H71 | C7 | H72 | 99.5° | 109.5° |
| C9 | C8 | H81 | 111.1° | 109.4° |
| C9 | C8 | H82 | 111.1° | 109.4° |
| C8 | C9 | C10 | 113.3° | 109.5° |
| C8 | C9 | H91 | 110.8° | 109.4° |
| C8 | C9 | H92 | 110.8° | 109.4° |
| H81 | C8 | H82 | 99.2° | 109.5° |
| C10 | C9 | H91 | 110.8° | 109.5° |
| C10 | C9 | H92 | 110.8° | 109.5° |
| C9 | C10 | C11 | 112.5° | 109.5° |
| C9 | C10 | H101 | 111.1° | 109.5° |
| C9 | C10 | H102 | 111.1° | 109.4° |
| H91 | C9 | H92 | 99.5° | 109.4° |
| C11 | C10 | H101 | 111.1° | 109.5° |
| C11 | C10 | H102 | 111.1° | 109.5° |
| C10 | C11 | C12 | 113.1° | 109.5° |
| C10 | C11 | H111 | 110.9° | 109.5° |
| C10 | C11 | H112 | 110.9° | 109.5° |
| H101 | C10 | H102 | 99.2° | 109.4° |
| C12 | C11 | H111 | 110.9° | 109.5° |
| C12 | C11 | H112 | 110.9° | 109.4° |
| C11 | C12 | C13 | 112.8° | 109.5° |
| C11 | C12 | H121 | 110.9° | 109.5° |
| C11 | C12 | H122 | 111.0° | 109.5° |
| H111 | C11 | H112 | 99.4° | 109.4° |
| C13 | C12 | H121 | 111.0° | 109.4° |
| C13 | C12 | H122 | 111.0° | 109.4° |
| C12 | C13 | C14 | 112.0° | 109.5° |
| C12 | C13 | H131 | 111.3° | 109.4° |
| C12 | C13 | H132 | 111.3° | 109.4° |
| H121 | C12 | H122 | 99.4° | 109.5° |
| C14 | C13 | H131 | 111.3° | 109.5° |
| C14 | C13 | H132 | 111.3° | 109.5° |
| C13 | C14 | H141 | 112.0° | 109.4° |
| C13 | C14 | H142 | 111.3° | 109.4° |
| C13 | C14 | H143 | 111.2° | 109.5° |
| H131 | C13 | H132 | 99.0° | 109.5° |
| H141 | C14 | H142 | 111.3° | 109.5° |
| H141 | C14 | H143 | 111.3° | 109.5° |
| H142 | C14 | H143 | 99.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C3 | HN1 | 179.9° | 179.7° |
| N1 | C2 | C1 | O3 | 178.5° | 180.0° |
| N1 | C2 | C1 | O2 | 179.8° | 180.0° |
| N1 | C2 | C1 | C4 | 1.1° | 0.0° |
| C2 | N1 | C3 | O1 | 174.0° | 180.0° |
| C2 | N1 | C3 | C4 | 6.7° | 0.5° |
| C3 | N1 | C2 | C1 | 4.6° | 0.3° |
| N1 | C3 | C4 | C1 | 5.7° | 0.5° |
| C3 | N1 | C2 | O2 | 175.2° | 179.7° |
| N1 | C3 | O1 | C4 | 178.8° | 179.5° |
| N1 | C3 | C4 | C5 | 173.1° | 179.8° |
| HN1 | N1 | C2 | C1 | 175.3° | 180.0° |
| HN1 | N1 | C2 | O2 | 4.9° | 0.0° |
| HN1 | N1 | C3 | O1 | 6.1° | 0.3° |
| HN1 | N1 | C3 | C4 | 173.3° | 179.8° |
| O3 | C1 | C2 | C4 | 179.6° | 179.9° |
| O3 | C1 | C2 | O2 | 1.7° | 0.1° |
| O3 | C1 | C4 | C3 | 177.5° | 179.7° |
| O3 | C1 | C4 | C5 | 3.7° | 0.1° |
| C2 | C1 | O3 | HO3 | 180.0° | 0.1° |
| C2 | C1 | C4 | C3 | 2.9° | 0.2° |
| C2 | C1 | C4 | C5 | 176.0° | 180.0° |
| C4 | C1 | O3 | HO3 | 0.4° | 180.0° |
| C4 | C1 | C2 | O2 | 178.7° | 180.0° |
| C1 | C4 | C3 | O1 | 175.5° | 180.0° |
| C1 | C4 | C3 | C5 | 178.8° | 179.7° |
| C1 | C4 | C5 | C6 | 79.5° | 90.0° |
| C1 | C4 | C5 | H51 | 45.8° | 30.1° |
| C1 | C4 | C5 | H52 | 155.2° | 150.0° |
| O1 | C3 | C4 | C5 | 5.7° | 0.3° |
| C3 | C4 | C5 | C6 | 102.0° | 90.3° |
| C3 | C4 | C5 | H51 | 132.7° | 149.6° |
| C3 | C4 | C5 | H52 | 23.3° | 29.7° |
| C4 | C5 | C6 | H51 | 125.3° | 120.0° |
| C4 | C5 | C6 | H52 | 125.2° | 120.0° |
| C4 | C5 | H51 | H52 | 116.4° | 119.9° |
| C4 | C5 | C6 | C7 | 178.3° | 180.0° |
| C4 | C5 | C6 | H61 | 56.4° | 60.0° |
| C4 | C5 | C6 | H62 | 53.0° | 60.0° |
| C6 | C5 | H51 | H52 | 116.6° | 120.0° |
| C5 | C6 | C7 | H61 | 125.2° | 119.9° |
| C5 | C6 | C7 | H62 | 125.2° | 119.9° |
| C5 | C6 | H61 | H62 | 116.9° | 120.0° |
| C5 | C6 | C7 | C8 | 71.5° | 180.0° |
| C5 | C6 | C7 | H71 | 53.7° | 60.0° |
| C5 | C6 | C7 | H72 | 163.2° | 60.1° |
| H51 | C5 | C6 | C7 | 53.0° | 60.0° |
| H51 | C5 | C6 | H61 | 178.3° | 180.0° |
| H51 | C5 | C6 | H62 | 72.2° | 60.0° |
| H52 | C5 | C6 | C7 | 56.5° | 60.0° |
| H52 | C5 | C6 | H61 | 68.8° | 60.0° |
| H52 | C5 | C6 | H62 | 178.3° | 180.0° |
| C7 | C6 | H61 | H62 | 117.1° | 120.1° |
| C6 | C7 | C8 | H71 | 125.2° | 120.0° |
| C6 | C7 | C8 | H72 | 125.3° | 120.0° |
| C6 | C7 | H71 | H72 | 116.8° | 120.1° |
| C6 | C7 | C8 | C9 | 131.5° | 180.0° |
| C6 | C7 | C8 | H81 | 6.2° | 60.1° |
| C6 | C7 | C8 | H82 | 103.2° | 60.0° |
| H61 | C6 | C7 | C8 | 163.3° | 60.1° |
| H61 | C6 | C7 | H71 | 71.5° | 180.0° |
| H61 | C6 | C7 | H72 | 38.0° | 59.9° |
| H62 | C6 | C7 | C8 | 53.7° | 60.0° |
| H62 | C6 | C7 | H71 | 179.0° | 59.9° |
| H62 | C6 | C7 | H72 | 71.5° | 180.0° |
| C8 | C7 | H71 | H72 | 116.8° | 120.0° |
| C7 | C8 | C9 | H81 | 125.3° | 119.9° |
| C7 | C8 | C9 | H82 | 125.3° | 120.0° |
| C7 | C8 | H81 | H82 | 116.9° | 120.1° |
| C7 | C8 | C9 | C10 | 171.2° | 179.9° |
| C7 | C8 | C9 | H91 | 63.6° | 60.0° |
| C7 | C8 | C9 | H92 | 45.9° | 59.9° |
| H71 | C7 | C8 | C9 | 103.3° | 60.0° |
| H71 | C7 | C8 | H81 | 131.4° | 179.9° |
| H71 | C7 | C8 | H82 | 22.0° | 60.0° |
| H72 | C7 | C8 | C9 | 6.2° | 60.0° |
| H72 | C7 | C8 | H81 | 119.1° | 59.9° |
| H72 | C7 | C8 | H82 | 131.5° | 180.0° |
| C9 | C8 | H81 | H82 | 117.0° | 120.0° |
| C8 | C9 | C10 | H91 | 125.2° | 120.0° |
| C8 | C9 | C10 | H92 | 125.2° | 120.0° |
| C8 | C9 | H91 | H92 | 116.6° | 119.9° |
| C8 | C9 | C10 | C11 | 115.0° | 180.0° |
| C8 | C9 | C10 | H101 | 10.3° | 59.9° |
| C8 | C9 | C10 | H102 | 119.7° | 60.0° |
| H81 | C8 | C9 | C10 | 45.9° | 60.0° |
| H81 | C8 | C9 | H91 | 171.1° | 179.9° |
| H81 | C8 | C9 | H92 | 79.4° | 60.0° |
| H82 | C8 | C9 | C10 | 63.6° | 60.0° |
| H82 | C8 | C9 | H91 | 61.7° | 60.1° |
| H82 | C8 | C9 | H92 | 171.2° | 180.0° |
| C10 | C9 | H91 | H92 | 116.7° | 120.0° |
| C9 | C10 | C11 | H101 | 125.3° | 120.1° |
| C9 | C10 | C11 | H102 | 125.3° | 120.0° |
| C9 | C10 | H101 | H102 | 117.0° | 119.9° |
| C9 | C10 | C11 | C12 | 135.7° | 180.0° |
| C9 | C10 | C11 | H111 | 10.4° | 59.9° |
| C9 | C10 | C11 | H112 | 99.0° | 60.0° |
| H91 | C9 | C10 | C11 | 119.8° | 59.9° |
| H91 | C9 | C10 | H101 | 114.9° | 179.9° |
| H91 | C9 | C10 | H102 | 5.5° | 60.1° |
| H92 | C9 | C10 | C11 | 10.3° | 60.0° |
| H92 | C9 | C10 | H101 | 135.5° | 60.1° |
| H92 | C9 | C10 | H102 | 115.0° | 180.0° |
| C11 | C10 | H101 | H102 | 117.0° | 120.0° |
| C10 | C11 | C12 | H111 | 125.2° | 120.1° |
| C10 | C11 | C12 | H112 | 125.2° | 120.0° |
| C10 | C11 | H111 | H112 | 116.7° | 120.0° |
| C10 | C11 | C12 | C13 | 105.0° | 180.0° |
| C10 | C11 | C12 | H121 | 20.3° | 60.0° |
| C10 | C11 | C12 | H122 | 129.8° | 60.0° |
| H101 | C10 | C11 | C12 | 99.1° | 59.9° |
| H101 | C10 | C11 | H111 | 135.7° | 180.0° |
| H101 | C10 | C11 | H112 | 26.2° | 60.1° |
| H102 | C10 | C11 | C12 | 10.4° | 60.0° |
| H102 | C10 | C11 | H111 | 114.9° | 60.1° |
| H102 | C10 | C11 | H112 | 135.7° | 180.0° |
| C12 | C11 | H111 | H112 | 116.8° | 119.9° |
| C11 | C12 | C13 | H121 | 125.2° | 120.0° |
| C11 | C12 | C13 | H122 | 125.2° | 120.0° |
| C11 | C12 | H121 | H122 | 116.8° | 120.0° |
| C11 | C12 | C13 | C14 | 110.9° | 180.0° |
| C11 | C12 | C13 | H131 | 14.5° | 60.0° |
| C11 | C12 | C13 | H132 | 123.8° | 60.0° |
| H111 | C11 | C12 | C13 | 129.8° | 60.0° |
| H111 | C11 | C12 | H121 | 105.0° | 179.9° |
| H111 | C11 | C12 | H122 | 4.5° | 60.1° |
| H112 | C11 | C12 | C13 | 20.3° | 60.0° |
| H112 | C11 | C12 | H121 | 145.5° | 60.0° |
| H112 | C11 | C12 | H122 | 105.0° | 180.0° |
| C13 | C12 | H121 | H122 | 116.9° | 119.9° |
| C12 | C13 | C14 | H131 | 125.3° | 120.0° |
| C12 | C13 | C14 | H132 | 125.3° | 120.0° |
| C12 | C13 | H131 | H132 | 117.1° | 119.9° |
| C12 | C13 | C14 | H141 | 180.0° | 180.0° |
| C12 | C13 | C14 | H142 | 54.7° | 60.0° |
| C12 | C13 | C14 | H143 | 54.8° | 60.0° |
| H121 | C12 | C13 | C14 | 123.9° | 60.0° |
| H121 | C12 | C13 | H131 | 110.8° | NaN° |
| H121 | C12 | C13 | H132 | 1.4° | 60.0° |
| H122 | C12 | C13 | C14 | 14.4° | 60.0° |
| H122 | C12 | C13 | H131 | 139.7° | 60.1° |
| H122 | C12 | C13 | H132 | 110.9° | 180.0° |
| C14 | C13 | H131 | H132 | 117.2° | 120.0° |
| C13 | C14 | H141 | H142 | 125.3° | 120.0° |
| C13 | C14 | H141 | H143 | 125.2° | 120.0° |
| C13 | C14 | H142 | H143 | 117.1° | 120.0° |
| H131 | C13 | C14 | H141 | 54.7° | 60.0° |
| H131 | C13 | C14 | H142 | 179.9° | 60.0° |
| H131 | C13 | C14 | H143 | 70.5° | 180.0° |
| H132 | C13 | C14 | H141 | 54.7° | 60.0° |
| H132 | C13 | C14 | H142 | 70.5° | 180.0° |
| H132 | C13 | C14 | H143 | 179.9° | 60.0° |
| H141 | C14 | H142 | H143 | 117.2° | 120.1° |
