ZD0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.41Å | |
| C1 | O5 | sing | 1.43Å | 1.45Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| O1 | C1M | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1M | H1M1 | sing | 1.09Å | 1.10Å | |
| C1M | H1M2 | sing | 1.09Å | 1.10Å | |
| C1M | H1M3 | sing | 1.09Å | 1.10Å | |
| C2 | O2 | sing | 1.43Å | 1.41Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | N4 | sing | 1.47Å | 1.50Å | |
| N4 | H4N | sing | 0.97Å | 1.00Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | O5 | sing | 1.43Å | 1.46Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å | |
| N4 | C7 | sing | 1.35Å | 1.35Å | |
| C7 | O7 | doub | 1.21Å | 1.23Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | O8 | sing | 1.43Å | 1.40Å | |
| O8 | H8O | sing | 0.97Å | 0.95Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.50Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | O10 | sing | 1.43Å | 1.43Å | |
| O10 | H10O | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O5 | 106.3° | 109.5° |
| O1 | C1 | C2 | 103.0° | 109.5° |
| C1 | O1 | C1M | 108.3° | 114.1° |
| O1 | C1 | H1 | 111.6° | 109.4° |
| O5 | C1 | C2 | 114.8° | 109.5° |
| O5 | C1 | H1 | 110.9° | 109.5° |
| C1 | O5 | C5 | 104.8° | 114.1° |
| C2 | C1 | H1 | 109.9° | 109.5° |
| C1 | C2 | O2 | 110.3° | 109.5° |
| C1 | C2 | H2 | 108.1° | 109.5° |
| C1 | C2 | C3 | 111.4° | 109.2° |
| O1 | C1M | H1M1 | 109.5° | 109.5° |
| O1 | C1M | H1M2 | 109.5° | 109.5° |
| O1 | C1M | H1M3 | 109.5° | 109.4° |
| H1M1 | C1M | H1M2 | 109.4° | 109.5° |
| H1M1 | C1M | H1M3 | 109.5° | 109.5° |
| H1M2 | C1M | H1M3 | 109.5° | 109.4° |
| O2 | C2 | H2 | 109.6° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| O2 | C2 | C3 | 109.5° | 109.5° |
| H2 | C2 | C3 | 108.0° | 109.6° |
| C2 | C3 | O3 | 118.3° | 109.6° |
| C2 | C3 | H3 | 109.2° | 109.6° |
| C2 | C3 | C4 | 107.9° | 109.0° |
| O3 | C3 | H3 | 110.5° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 113.9° |
| O3 | C3 | C4 | 101.0° | 109.5° |
| H3 | C3 | C4 | 109.4° | 109.6° |
| C3 | C4 | H4 | 107.9° | 109.6° |
| C3 | C4 | N4 | 112.6° | 109.5° |
| C3 | C4 | C5 | 112.8° | 109.2° |
| H4 | C4 | N4 | 108.0° | 109.5° |
| H4 | C4 | C5 | 107.6° | 109.5° |
| C4 | N4 | H4N | 124.7° | 120.0° |
| N4 | C4 | C5 | 107.7° | 109.5° |
| C4 | N4 | C7 | 110.6° | 120.0° |
| H4N | N4 | C7 | 124.7° | 120.0° |
| C4 | C5 | O5 | 108.9° | 109.4° |
| C4 | C5 | C6 | 107.8° | 109.5° |
| C4 | C5 | H5 | 107.5° | 109.5° |
| O5 | C5 | C6 | 116.7° | 109.5° |
| O5 | C5 | H5 | 108.2° | 109.4° |
| C6 | C5 | H5 | 107.4° | 109.4° |
| C5 | C6 | H61 | 109.5° | 109.4° |
| C5 | C6 | H62 | 109.5° | 109.5° |
| C5 | C6 | H63 | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| H61 | C6 | H63 | 109.4° | 109.5° |
| H62 | C6 | H63 | 109.5° | 109.5° |
| N4 | C7 | O7 | 116.1° | 120.0° |
| N4 | C7 | C8 | 123.2° | 120.0° |
| O7 | C7 | C8 | 120.7° | 120.0° |
| C7 | C8 | H8 | 106.3° | 109.5° |
| C7 | C8 | O8 | 112.7° | 109.5° |
| C7 | C8 | C9 | 114.3° | 109.5° |
| H8 | C8 | O8 | 107.8° | 109.5° |
| H8 | C8 | C9 | 106.2° | 109.4° |
| C8 | O8 | H8O | 109.5° | 114.0° |
| O8 | C8 | C9 | 109.2° | 109.5° |
| C8 | C9 | H91 | 110.2° | 109.5° |
| C8 | C9 | H92 | 110.2° | 109.5° |
| C8 | C9 | C10 | 106.4° | 109.5° |
| H91 | C9 | H92 | 109.5° | 109.5° |
| H91 | C9 | C10 | 110.2° | 109.5° |
| H92 | C9 | C10 | 110.2° | 109.5° |
| C9 | C10 | H101 | 109.4° | 109.5° |
| C9 | C10 | H102 | 109.4° | 109.4° |
| C9 | C10 | O10 | 109.6° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H101 | C10 | O10 | 109.4° | 109.5° |
| H102 | C10 | O10 | 109.4° | 109.4° |
| C10 | O10 | H10O | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O5 | C2 | 113.1° | 120.0° |
| O1 | C1 | O5 | H1 | 121.5° | 120.0° |
| O1 | C1 | C2 | H1 | 119.0° | 119.9° |
| C1 | O1 | C1M | H1M1 | 180.0° | 180.0° |
| C1 | O1 | C1M | H1M2 | 60.0° | 59.9° |
| C1 | O1 | C1M | H1M3 | 60.0° | 60.0° |
| O1 | C1 | C2 | O2 | 178.8° | 177.7° |
| O1 | C1 | C2 | H2 | 59.0° | 57.6° |
| O1 | C1 | C2 | C3 | 59.4° | 62.4° |
| O1 | C1 | O5 | C5 | 49.9° | 58.9° |
| O5 | C1 | C2 | H1 | 125.9° | 120.0° |
| O5 | C1 | O1 | C1M | 61.4° | 69.9° |
| O5 | C1 | C2 | O2 | 66.2° | 62.3° |
| O5 | C1 | C2 | H2 | 174.1° | 177.6° |
| O5 | C1 | C2 | C3 | 55.6° | 57.6° |
| C1 | O5 | C5 | C4 | 65.0° | 61.1° |
| C1 | O5 | C5 | C6 | 172.8° | 178.8° |
| C1 | O5 | C5 | H5 | 51.5° | 58.9° |
| C2 | C1 | O1 | C1M | 59.7° | 170.1° |
| C1 | C2 | O2 | H2 | 118.9° | 120.1° |
| C1 | C2 | O2 | C3 | 122.9° | 119.7° |
| C1 | C2 | H2 | C3 | 120.6° | 119.7° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.1° |
| C1 | C2 | C3 | O3 | 160.1° | 176.8° |
| C1 | C2 | C3 | H3 | 72.4° | 63.0° |
| C1 | C2 | C3 | C4 | 46.5° | 57.0° |
| C2 | C1 | O5 | C5 | 63.3° | 61.1° |
| C1M | O1 | C1 | H1 | 177.5° | 50.1° |
| O1 | C1M | H1M1 | H1M2 | 120.0° | 120.0° |
| O1 | C1M | H1M1 | H1M3 | 120.0° | 120.0° |
| O1 | C1M | H1M2 | H1M3 | 120.0° | 119.9° |
| H1 | C1 | C2 | O2 | 59.7° | 57.8° |
| H1 | C1 | C2 | H2 | 60.0° | 62.4° |
| H1 | C1 | C2 | C3 | 178.5° | 177.7° |
| H1 | C1 | O5 | C5 | 171.3° | 178.9° |
| H1M1 | C1M | H1M2 | H1M3 | 120.0° | 120.0° |
| O2 | C2 | H2 | C3 | 119.2° | 120.2° |
| O2 | C2 | C3 | O3 | 37.8° | 56.9° |
| O2 | C2 | C3 | H3 | 165.3° | 177.2° |
| O2 | C2 | C3 | C4 | 75.8° | 62.9° |
| H2 | C2 | O2 | HO2 | 61.1° | 60.1° |
| H2 | C2 | C3 | O3 | 81.4° | 63.3° |
| H2 | C2 | C3 | H3 | 46.1° | 57.0° |
| H2 | C2 | C3 | C4 | 165.0° | 176.9° |
| HO2 | O2 | C2 | C3 | 57.1° | 179.7° |
| C2 | C3 | O3 | H3 | 126.9° | 120.3° |
| C2 | C3 | O3 | C4 | 117.4° | 119.5° |
| C2 | C3 | H3 | C4 | 117.9° | 119.6° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | H4 | 66.3° | 62.9° |
| C2 | C3 | C4 | N4 | 174.5° | 176.9° |
| C2 | C3 | C4 | C5 | 52.4° | 57.0° |
| O3 | C3 | H3 | C4 | 110.3° | 120.2° |
| O3 | C3 | C4 | H4 | 58.4° | 56.9° |
| O3 | C3 | C4 | N4 | 60.7° | 63.2° |
| O3 | C3 | C4 | C5 | 177.2° | 176.8° |
| H3 | C3 | O3 | HO3 | 53.1° | 60.2° |
| H3 | C3 | C4 | H4 | 174.9° | 177.2° |
| H3 | C3 | C4 | N4 | 55.8° | 57.0° |
| H3 | C3 | C4 | C5 | 66.3° | 62.9° |
| HO3 | O3 | C3 | C4 | 62.6° | 179.5° |
| C3 | C4 | H4 | N4 | 122.0° | 120.2° |
| C3 | C4 | H4 | C5 | 122.0° | 119.7° |
| C3 | C4 | N4 | C5 | 125.0° | 119.7° |
| C3 | C4 | N4 | H4N | 53.0° | 24.9° |
| C3 | C4 | C5 | O5 | 64.2° | 57.6° |
| C3 | C4 | C5 | C6 | 168.3° | 177.6° |
| C3 | C4 | C5 | H5 | 52.8° | 62.4° |
| C3 | C4 | N4 | C7 | 127.0° | 155.0° |
| H4 | C4 | N4 | C5 | 116.0° | 120.1° |
| H4 | C4 | N4 | H4N | 172.0° | 145.1° |
| H4 | C4 | C5 | O5 | 54.6° | 62.4° |
| H4 | C4 | C5 | C6 | 72.8° | 57.7° |
| H4 | C4 | C5 | H5 | 171.7° | 177.7° |
| H4 | C4 | N4 | C7 | 8.0° | 34.8° |
| C4 | N4 | H4N | C7 | 180.0° | 179.9° |
| N4 | C4 | C5 | O5 | 170.9° | 177.5° |
| N4 | C4 | C5 | C6 | 43.4° | 62.4° |
| N4 | C4 | C5 | H5 | 72.0° | 57.6° |
| C4 | N4 | C7 | O7 | 16.7° | 0.1° |
| C4 | N4 | C7 | C8 | 160.6° | 180.0° |
| H4N | N4 | C4 | C5 | 72.0° | 94.8° |
| H4N | N4 | C7 | O7 | 163.3° | 180.0° |
| H4N | N4 | C7 | C8 | 19.3° | 0.1° |
| C4 | C5 | O5 | C6 | 122.2° | 120.1° |
| C4 | C5 | O5 | H5 | 116.5° | 120.0° |
| C4 | C5 | C6 | H5 | 115.5° | 120.1° |
| C4 | C5 | C6 | H61 | 180.0° | 60.0° |
| C4 | C5 | C6 | H62 | 60.0° | 180.0° |
| C4 | C5 | C6 | H63 | 60.0° | 60.0° |
| C5 | C4 | N4 | C7 | 108.0° | 85.3° |
| O5 | C5 | C6 | H5 | 121.7° | 119.9° |
| O5 | C5 | C6 | H61 | 57.2° | 60.0° |
| O5 | C5 | C6 | H62 | 177.2° | 60.0° |
| O5 | C5 | C6 | H63 | 62.8° | 180.0° |
| C5 | C6 | H61 | H62 | 120.0° | 120.0° |
| C5 | C6 | H61 | H63 | 120.0° | 120.0° |
| C5 | C6 | H62 | H63 | 120.0° | 120.0° |
| H5 | C5 | C6 | H61 | 64.5° | 179.9° |
| H5 | C5 | C6 | H62 | 55.5° | 60.0° |
| H5 | C5 | C6 | H63 | 175.5° | 60.1° |
| H61 | C6 | H62 | H63 | 120.0° | 120.1° |
| N4 | C7 | O7 | C8 | 177.5° | 179.9° |
| N4 | C7 | C8 | H8 | 167.0° | 54.9° |
| N4 | C7 | C8 | O8 | 75.2° | 175.0° |
| N4 | C7 | C8 | C9 | 50.3° | 65.0° |
| O7 | C7 | C8 | H8 | 15.7° | 125.0° |
| O7 | C7 | C8 | O8 | 102.1° | 5.0° |
| O7 | C7 | C8 | C9 | 132.5° | 115.0° |
| C7 | C8 | H8 | O8 | 121.0° | 120.1° |
| C7 | C8 | H8 | C9 | 122.1° | 120.0° |
| C7 | C8 | O8 | C9 | 128.1° | 120.0° |
| C7 | C8 | O8 | H8O | 180.0° | 60.0° |
| C7 | C8 | C9 | H91 | 81.4° | 55.0° |
| C7 | C8 | C9 | H92 | 39.5° | 65.0° |
| C7 | C8 | C9 | C10 | 159.0° | 175.0° |
| H8 | C8 | O8 | C9 | 114.9° | 119.9° |
| H8 | C8 | O8 | H8O | 63.1° | 180.0° |
| H8 | C8 | C9 | H91 | 35.4° | 65.0° |
| H8 | C8 | C9 | H92 | 156.3° | 175.0° |
| H8 | C8 | C9 | C10 | 84.2° | 55.0° |
| O8 | C8 | C9 | H91 | 151.3° | 175.0° |
| O8 | C8 | C9 | H92 | 87.7° | 55.0° |
| O8 | C8 | C9 | C10 | 31.8° | 64.9° |
| H8O | O8 | C8 | C9 | 51.8° | 60.0° |
| C8 | C9 | H91 | H92 | 121.4° | 120.0° |
| C8 | C9 | H91 | C10 | 117.2° | 120.0° |
| C8 | C9 | H92 | C10 | 117.2° | 120.0° |
| C8 | C9 | C10 | H101 | 166.0° | 60.0° |
| C8 | C9 | C10 | H102 | 74.1° | 60.1° |
| C8 | C9 | C10 | O10 | 46.0° | 180.0° |
| H91 | C9 | H92 | C10 | 121.4° | 120.0° |
| H91 | C9 | C10 | H101 | 46.5° | 180.0° |
| H91 | C9 | C10 | H102 | 166.4° | 59.9° |
| H91 | C9 | C10 | O10 | 73.6° | 60.0° |
| H92 | C9 | C10 | H101 | 74.5° | 60.0° |
| H92 | C9 | C10 | H102 | 45.4° | 179.9° |
| H92 | C9 | C10 | O10 | 165.5° | 60.0° |
| C9 | C10 | H101 | H102 | 119.9° | 120.0° |
| C9 | C10 | H101 | O10 | 120.1° | 120.0° |
| C9 | C10 | H102 | O10 | 120.1° | 120.0° |
| C9 | C10 | O10 | H10O | 180.0° | 180.0° |
| H101 | C10 | H102 | O10 | 119.9° | 120.0° |
| H101 | C10 | O10 | H10O | 60.0° | 60.0° |
| H102 | C10 | O10 | H10O | 60.0° | 60.1° |
