GYU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1A | O1A | doub | 1.23Å | 1.24Å | |
| C1A | O1 | sing | 1.37Å | 1.39Å | |
| C12 | C13 | sing | 1.52Å | 1.52Å | |
| C13 | C14 | sing | 1.52Å | 1.53Å | |
| C2 | N2 | sing | 1.44Å | 1.44Å | |
| N2 | C10 | sing | 1.38Å | 1.37Å | |
| C10 | O10 | doub | 1.23Å | 1.23Å | |
| C10 | C11 | sing | 1.49Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | O3 | sing | 1.43Å | 1.46Å | |
| C3 | C4 | sing | 1.53Å | 1.49Å | |
| C4 | O4 | sing | 1.43Å | 1.45Å | |
| O1 | C1 | sing | 1.43Å | 1.45Å | |
| C2 | C1 | sing | 1.53Å | 1.55Å | |
| C1 | O5 | sing | 1.43Å | 1.38Å | |
| C1A | NAC | sing | 1.38Å | 1.31Å | |
| C12 | NAC | sing | 1.45Å | 1.50Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| O5 | C5 | sing | 1.43Å | 1.46Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C6 | O6 | sing | 1.41Å | 1.46Å | |
| NAC | HAC | sing | 1.02Å | 1.00Å | |
| C1 | H1 | sing | 1.10Å | 1.10Å | |
| C12 | H121 | sing | 1.10Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.10Å | 1.10Å | |
| C13 | H132 | sing | 1.10Å | 1.10Å | |
| C14 | H141 | sing | 1.10Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.10Å | 1.10Å | |
| N2 | HN21 | sing | 1.02Å | 1.00Å | |
| C3 | H3 | sing | 1.10Å | 1.10Å | |
| C11 | H111 | sing | 1.10Å | 1.10Å | |
| C11 | H112 | sing | 1.10Å | 1.10Å | |
| C11 | H113 | sing | 1.10Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.10Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.10Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | C1A | O1 | 120.0° | 124.4° |
| O1A | C1A | NAC | 126.1° | 125.8° |
| C1A | O1 | C1 | 117.3° | 116.0° |
| O1 | C1A | NAC | 113.9° | 109.8° |
| C12 | C13 | C14 | 113.1° | 112.8° |
| C13 | C12 | NAC | 110.4° | 112.4° |
| C13 | C12 | H121 | 109.2° | 110.0° |
| C13 | C12 | H122 | 108.9° | 111.3° |
| C12 | C13 | H131 | 108.3° | 108.8° |
| C12 | C13 | H132 | 107.5° | 110.1° |
| C14 | C13 | H131 | 108.3° | 108.7° |
| C14 | C13 | H132 | 107.4° | 109.2° |
| C13 | C14 | H141 | 109.5° | 111.0° |
| C13 | C14 | H142 | 109.5° | 110.2° |
| C13 | C14 | H143 | 109.5° | 111.4° |
| C2 | N2 | C10 | 121.3° | 123.2° |
| N2 | C2 | C3 | 106.8° | 111.3° |
| N2 | C2 | C1 | 110.9° | 111.1° |
| N2 | C2 | H2 | 109.4° | 105.7° |
| C2 | N2 | HN21 | 119.4° | 118.5° |
| N2 | C10 | O10 | 121.3° | 126.3° |
| N2 | C10 | C11 | 116.6° | 114.0° |
| C10 | N2 | HN21 | 119.3° | 118.3° |
| O10 | C10 | C11 | 122.1° | 119.6° |
| C10 | C11 | H111 | 109.5° | 112.4° |
| C10 | C11 | H112 | 109.5° | 112.4° |
| C10 | C11 | H113 | 109.5° | 115.4° |
| C2 | C3 | O3 | 107.4° | 108.7° |
| C2 | C3 | C4 | 110.3° | 110.5° |
| C3 | C2 | C1 | 106.6° | 110.8° |
| C3 | C2 | H2 | 113.5° | 108.5° |
| C2 | C3 | H3 | 110.7° | 111.4° |
| O3 | C3 | C4 | 110.6° | 108.7° |
| O3 | C3 | H3 | 110.4° | 106.7° |
| C3 | O3 | HO3 | 109.5° | 106.4° |
| C3 | C4 | O4 | 107.1° | 108.0° |
| C3 | C4 | C5 | 111.5° | 111.3° |
| C4 | C3 | H3 | 107.5° | 110.7° |
| C3 | C4 | H4 | 109.5° | 109.4° |
| O4 | C4 | C5 | 108.9° | 110.3° |
| O4 | C4 | H4 | 112.1° | 107.3° |
| C4 | O4 | HO4 | 109.5° | 106.5° |
| O1 | C1 | C2 | 102.1° | 110.5° |
| O1 | C1 | O5 | 116.5° | 112.0° |
| O1 | C1 | H1 | 110.7° | 106.9° |
| C2 | C1 | O5 | 111.5° | 109.9° |
| C2 | C1 | H1 | 115.7° | 110.0° |
| C1 | C2 | H2 | 109.7° | 109.2° |
| C1 | O5 | C5 | 114.4° | 113.4° |
| O5 | C1 | H1 | 101.1° | 107.4° |
| C1A | NAC | C12 | 120.5° | 123.7° |
| C1A | NAC | HAC | 119.8° | 118.2° |
| C12 | NAC | HAC | 119.8° | 118.1° |
| NAC | C12 | H121 | 109.1° | 106.9° |
| NAC | C12 | H122 | 108.9° | 107.9° |
| C4 | C5 | O5 | 107.9° | 110.8° |
| C4 | C5 | C6 | 109.2° | 112.1° |
| C5 | C4 | H4 | 107.8° | 110.3° |
| C4 | C5 | H5 | 109.5° | 110.4° |
| O5 | C5 | C6 | 105.7° | 107.0° |
| O5 | C5 | H5 | 112.8° | 109.5° |
| C5 | C6 | O6 | 110.2° | 108.6° |
| C6 | C5 | H5 | 111.5° | 106.9° |
| C5 | C6 | H61 | 109.2° | 109.9° |
| C5 | C6 | H62 | 109.1° | 109.9° |
| O6 | C6 | H61 | 109.3° | 109.4° |
| O6 | C6 | H62 | 109.1° | 109.4° |
| C6 | O6 | HO6 | 109.5° | 107.2° |
| H121 | C12 | H122 | 110.2° | 108.2° |
| H131 | C13 | H132 | 112.4° | 107.2° |
| H141 | C14 | H142 | 109.4° | 107.9° |
| H141 | C14 | H143 | 109.5° | 108.4° |
| H142 | C14 | H143 | 109.5° | 107.9° |
| H111 | C11 | H112 | 109.5° | 105.3° |
| H111 | C11 | H113 | 109.4° | 105.2° |
| H112 | C11 | H113 | 109.5° | 105.3° |
| H61 | C6 | H62 | 110.0° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | C1A | O1 | NAC | 179.1° | 180.0° |
| O1A | C1A | O1 | C1 | 29.8° | 0.0° |
| O1A | C1A | NAC | C12 | 2.5° | 0.0° |
| O1A | C1A | NAC | HAC | 177.5° | 180.0° |
| C1A | O1 | C1 | C2 | 140.5° | 179.7° |
| C1A | O1 | C1 | O5 | 97.9° | 57.4° |
| O1 | C1A | NAC | C12 | 178.5° | 180.0° |
| O1 | C1A | NAC | HAC | 1.5° | 0.0° |
| C1A | O1 | C1 | H1 | 16.8° | 60.0° |
| C12 | C13 | C14 | H131 | 120.0° | 120.7° |
| C12 | C13 | C14 | H132 | 118.4° | 122.7° |
| C13 | C12 | NAC | C1A | 98.0° | 90.0° |
| C13 | C12 | NAC | H121 | 120.0° | 120.8° |
| C13 | C12 | NAC | H122 | 119.6° | 123.0° |
| C13 | C12 | NAC | HAC | 82.0° | 90.0° |
| C13 | C12 | H121 | H122 | 119.6° | 121.8° |
| C12 | C13 | H131 | H132 | 118.5° | 119.0° |
| C12 | C13 | C14 | H141 | 21.4° | 57.9° |
| C12 | C13 | C14 | H142 | 141.3° | 177.4° |
| C12 | C13 | C14 | H143 | 98.7° | 63.0° |
| C14 | C13 | C12 | NAC | 62.7° | 60.9° |
| C14 | C13 | C12 | H121 | 177.3° | 180.0° |
| C14 | C13 | C12 | H122 | 56.9° | 60.1° |
| C14 | C13 | H131 | H132 | 118.5° | 117.9° |
| C13 | C14 | H141 | H142 | 120.0° | 120.8° |
| C13 | C14 | H141 | H143 | 120.0° | 122.6° |
| C13 | C14 | H142 | H143 | 120.0° | 121.8° |
| C2 | N2 | C10 | HN21 | 180.0° | 179.9° |
| C2 | N2 | C10 | O10 | 1.2° | 0.0° |
| C2 | N2 | C10 | C11 | 179.7° | 179.9° |
| N2 | C2 | C3 | C1 | 118.6° | 124.3° |
| N2 | C2 | C3 | H2 | 120.6° | 115.9° |
| N2 | C2 | C3 | O3 | 65.2° | 64.9° |
| N2 | C2 | C3 | C4 | 174.2° | 175.9° |
| N2 | C2 | C1 | O1 | 49.3° | 56.7° |
| N2 | C2 | C1 | H2 | 120.9° | 116.2° |
| N2 | C2 | C1 | O5 | 174.3° | 179.2° |
| N2 | C2 | C1 | H1 | 71.0° | 61.1° |
| N2 | C2 | C3 | H3 | 55.4° | 52.4° |
| N2 | C10 | O10 | C11 | 179.0° | 179.9° |
| C10 | N2 | C2 | C3 | 129.4° | 147.5° |
| C10 | N2 | C2 | C1 | 114.9° | 88.4° |
| C10 | N2 | C2 | H2 | 6.2° | 30.0° |
| N2 | C10 | C11 | H111 | 5.2° | 120.8° |
| N2 | C10 | C11 | H112 | 114.8° | 120.6° |
| N2 | C10 | C11 | H113 | 125.1° | 0.1° |
| O10 | C10 | N2 | HN21 | 178.8° | 180.0° |
| O10 | C10 | C11 | H111 | 173.9° | 59.3° |
| O10 | C10 | C11 | H112 | 66.1° | 59.3° |
| O10 | C10 | C11 | H113 | 53.9° | 179.9° |
| C11 | C10 | N2 | HN21 | 0.3° | 0.1° |
| C10 | C11 | H111 | H112 | 120.0° | 122.7° |
| C10 | C11 | H111 | H113 | 120.0° | 126.3° |
| C10 | C11 | H112 | H113 | 120.0° | 126.4° |
| C2 | C3 | O3 | C4 | 120.4° | 120.3° |
| C2 | C3 | O3 | H3 | 120.7° | 120.3° |
| C2 | C3 | C4 | H3 | 120.8° | 124.0° |
| C2 | C3 | C4 | O4 | 175.6° | 171.3° |
| C3 | C2 | C1 | O1 | 66.6° | 67.7° |
| C3 | C2 | C1 | H2 | 123.2° | 119.4° |
| C3 | C2 | C1 | O5 | 58.4° | 56.4° |
| C2 | C3 | C4 | C5 | 56.6° | 50.1° |
| C3 | C2 | C1 | H1 | 173.2° | 174.5° |
| C3 | C2 | N2 | HN21 | 50.6° | 32.4° |
| C2 | C3 | O3 | HO3 | 168.3° | 65.6° |
| C2 | C3 | C4 | H4 | 62.6° | 72.1° |
| O3 | C3 | C4 | H3 | 120.6° | 116.9° |
| O3 | C3 | C4 | O4 | 65.8° | 69.5° |
| O3 | C3 | C2 | C1 | 176.3° | 170.8° |
| O3 | C3 | C4 | C5 | 175.2° | 169.3° |
| O3 | C3 | C2 | H2 | 55.5° | 51.0° |
| O3 | C3 | C4 | H4 | 56.0° | 47.0° |
| C3 | C4 | O4 | C5 | 120.7° | 121.9° |
| C3 | C4 | O4 | H4 | 120.2° | 117.9° |
| C4 | C3 | C2 | C1 | 55.7° | 51.6° |
| C3 | C4 | C5 | H4 | 120.2° | 121.7° |
| C3 | C4 | C5 | O5 | 54.7° | 53.4° |
| C3 | C4 | C5 | C6 | 169.2° | 172.8° |
| C4 | C3 | C2 | H2 | 65.1° | 68.2° |
| C4 | C3 | O3 | HO3 | 71.3° | 54.7° |
| C3 | C4 | O4 | HO4 | 125.4° | 43.0° |
| C3 | C4 | C5 | H5 | 68.4° | 68.1° |
| O4 | C4 | C5 | H4 | 121.8° | 118.4° |
| O4 | C4 | C5 | O5 | 172.6° | 173.3° |
| O4 | C4 | C5 | C6 | 72.9° | 67.3° |
| O4 | C4 | C3 | H3 | 54.8° | 47.4° |
| O4 | C4 | C5 | H5 | 49.5° | 51.8° |
| O1 | C1 | C2 | O5 | 125.0° | 124.1° |
| O1 | C1 | C2 | H1 | 120.2° | 117.8° |
| O1 | C1 | O5 | H1 | 120.0° | 117.1° |
| C1 | O1 | C1A | NAC | 149.3° | 180.0° |
| O1 | C1 | O5 | C5 | 53.9° | 61.8° |
| O1 | C1 | C2 | H2 | 170.2° | 172.9° |
| C2 | C1 | O5 | H1 | 123.5° | 119.7° |
| C2 | C1 | O5 | C5 | 62.6° | 61.5° |
| C1 | C2 | N2 | HN21 | 65.1° | 91.7° |
| C1 | C2 | C3 | H3 | 63.2° | 71.9° |
| C1 | O5 | C5 | C4 | 58.6° | 60.1° |
| C1 | O5 | C5 | C6 | 175.4° | 177.5° |
| O5 | C1 | C2 | H2 | 64.8° | 63.0° |
| C1 | O5 | C5 | H5 | 62.5° | 62.0° |
| C1A | NAC | C12 | HAC | 180.0° | 180.0° |
| C1A | NAC | C12 | H121 | 22.0° | 30.8° |
| C1A | NAC | C12 | H122 | 142.4° | 147.0° |
| NAC | C12 | H121 | H122 | 119.6° | 115.9° |
| NAC | C12 | C13 | H131 | 177.3° | 178.4° |
| NAC | C12 | C13 | H132 | 55.7° | 61.2° |
| C4 | C5 | O5 | C6 | 116.8° | 122.4° |
| C4 | C5 | O5 | H5 | 121.1° | 122.0° |
| C4 | C5 | C6 | H5 | 121.2° | 121.1° |
| C4 | C5 | C6 | O6 | 177.0° | 179.5° |
| C5 | C4 | C3 | H3 | 64.2° | 73.9° |
| C5 | C4 | O4 | HO4 | 4.7° | 164.9° |
| C4 | C5 | C6 | H61 | 57.0° | 60.0° |
| C4 | C5 | C6 | H62 | 63.3° | 60.9° |
| O5 | C5 | C6 | H5 | 122.9° | 117.2° |
| O5 | C5 | C6 | O6 | 67.1° | 57.8° |
| C5 | O5 | C1 | H1 | 173.9° | 178.8° |
| O5 | C5 | C4 | H4 | 65.6° | 68.3° |
| O5 | C5 | C6 | H61 | 172.9° | 61.7° |
| O5 | C5 | C6 | H62 | 52.6° | 177.4° |
| C5 | C6 | O6 | H61 | 120.0° | 119.9° |
| C5 | C6 | O6 | H62 | 119.7° | 119.9° |
| C6 | C5 | C4 | H4 | 48.9° | 51.1° |
| C5 | C6 | H61 | H62 | 119.7° | 121.0° |
| C5 | C6 | O6 | HO6 | 81.2° | 116.9° |
| O6 | C6 | C5 | H5 | 55.8° | 59.4° |
| O6 | C6 | H61 | H62 | 119.7° | 120.0° |
| HAC | NAC | C12 | H121 | 158.0° | 149.2° |
| HAC | NAC | C12 | H122 | 37.6° | 33.0° |
| H1 | C1 | C2 | H2 | 49.9° | 55.1° |
| H121 | C12 | C13 | H131 | 57.3° | 59.4° |
| H121 | C12 | C13 | H132 | 64.3° | 57.8° |
| H122 | C12 | C13 | H131 | 63.1° | 60.5° |
| H122 | C12 | C13 | H132 | 175.3° | 177.7° |
| H131 | C13 | C14 | H141 | 98.6° | 62.8° |
| H131 | C13 | C14 | H142 | 21.3° | 56.7° |
| H131 | C13 | C14 | H143 | 141.3° | 176.3° |
| H132 | C13 | C14 | H141 | 139.8° | 179.4° |
| H132 | C13 | C14 | H142 | 100.2° | 59.9° |
| H132 | C13 | C14 | H143 | 19.8° | 59.7° |
| H141 | C14 | H142 | H143 | 120.0° | 116.9° |
| H2 | C2 | N2 | HN21 | 173.8° | 150.0° |
| H2 | C2 | C3 | H3 | 176.1° | 168.2° |
| H3 | C3 | O3 | HO3 | 47.5° | 174.2° |
| H3 | C3 | C4 | H4 | 176.6° | 163.9° |
| H111 | C11 | H112 | H113 | 120.0° | 110.9° |
| H4 | C4 | O4 | HO4 | 114.4° | 74.9° |
| H4 | C4 | C5 | H5 | 171.3° | 170.2° |
| H5 | C5 | C6 | H61 | 64.2° | 178.9° |
| H5 | C5 | C6 | H62 | 175.5° | 60.2° |
| H61 | C6 | O6 | HO6 | 158.8° | 2.9° |
| H62 | C6 | O6 | HO6 | 38.6° | 123.2° |
