UZD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | N | sing | 1.46Å | 1.44Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| N | C7 | sing | 1.35Å | 1.28Å | |
| C7 | O | doub | 1.21Å | 1.33Å | |
| C7 | O1 | sing | 1.35Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| O1 | C8 | sing | 1.45Å | 1.41Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| O6 | C14 | sing | 1.43Å | 1.41Å | |
| C11 | O3 | sing | 1.43Å | 1.44Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C14 | C9 | sing | 1.53Å | 1.50Å | |
| O3 | C10 | sing | 1.43Å | 1.41Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C1 | C | sing | 1.53Å | 1.50Å | |
| C13 | O5 | sing | 1.43Å | 1.40Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C9 | O2 | sing | 1.43Å | 1.40Å | |
| O2 | C10 | sing | 1.43Å | 1.43Å | |
| C10 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | O4 | sing | 1.43Å | 1.45Å | |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| O6 | H5 | sing | 0.97Å | 0.95Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| O5 | H7 | sing | 0.97Å | 0.95Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| O4 | H13 | sing | 0.97Å | 0.95Å | |
| N | H14 | sing | 0.97Å | 1.00Å | |
| C6 | H15 | sing | 1.09Å | 1.10Å | |
| C6 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H17 | sing | 1.09Å | 1.10Å | |
| C5 | H18 | sing | 1.09Å | 1.10Å | |
| C4 | H19 | sing | 1.09Å | 1.10Å | |
| C4 | H20 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å | |
| C1 | H25 | sing | 1.09Å | 1.10Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å | |
| C | H27 | sing | 1.09Å | 1.10Å | |
| C | H28 | sing | 1.09Å | 1.10Å | |
| C | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C6 | C5 | 110.0° | 109.5° |
| C6 | N | C7 | 127.0° | 120.0° |
| C6 | N | H14 | 116.5° | 120.0° |
| N | C6 | H15 | 109.3° | 109.5° |
| N | C6 | H16 | 109.3° | 109.5° |
| C6 | C5 | C4 | 111.6° | 109.5° |
| C5 | C6 | H15 | 109.3° | 109.5° |
| C5 | C6 | H16 | 109.3° | 109.5° |
| C6 | C5 | H17 | 108.9° | 109.5° |
| C6 | C5 | H18 | 108.9° | 109.4° |
| N | C7 | O | 121.4° | 120.0° |
| N | C7 | O1 | 120.3° | 120.0° |
| C7 | N | H14 | 116.5° | 120.0° |
| O | C7 | O1 | 118.3° | 120.0° |
| C7 | O1 | C8 | 118.5° | 117.0° |
| C5 | C4 | C3 | 109.7° | 109.5° |
| C4 | C5 | H17 | 108.9° | 109.5° |
| C4 | C5 | H18 | 108.9° | 109.5° |
| C5 | C4 | H19 | 109.4° | 109.5° |
| C5 | C4 | H20 | 109.4° | 109.4° |
| C4 | C3 | C2 | 110.6° | 109.5° |
| C3 | C4 | H19 | 109.4° | 109.5° |
| C3 | C4 | H20 | 109.4° | 109.5° |
| C4 | C3 | H21 | 109.2° | 109.5° |
| C4 | C3 | H22 | 109.2° | 109.4° |
| O1 | C8 | C9 | 113.1° | 109.5° |
| O1 | C8 | H1 | 108.6° | 109.5° |
| O1 | C8 | H2 | 108.6° | 109.5° |
| C8 | C9 | C14 | 106.9° | 109.5° |
| C8 | C9 | O2 | 109.5° | 109.5° |
| C9 | C8 | H1 | 108.6° | 109.4° |
| C9 | C8 | H2 | 108.6° | 109.5° |
| C8 | C9 | H3 | 108.9° | 109.6° |
| O6 | C14 | C13 | 113.5° | 109.5° |
| O6 | C14 | C9 | 107.9° | 109.5° |
| O6 | C14 | H4 | 107.6° | 109.6° |
| C14 | O6 | H5 | 109.5° | 114.0° |
| C11 | O3 | C10 | 110.8° | 114.0° |
| O3 | C11 | H9 | 109.5° | 109.4° |
| O3 | C11 | H10 | 109.5° | 109.5° |
| O3 | C11 | H11 | 109.5° | 109.5° |
| C13 | C14 | C9 | 114.6° | 109.2° |
| C14 | C13 | O5 | 113.7° | 109.6° |
| C14 | C13 | C12 | 113.5° | 109.0° |
| C13 | C14 | H4 | 106.3° | 109.6° |
| C14 | C13 | H6 | 106.9° | 109.5° |
| C14 | C9 | O2 | 112.2° | 109.3° |
| C14 | C9 | H3 | 108.9° | 109.5° |
| C9 | C14 | H4 | 106.5° | 109.5° |
| O3 | C10 | O2 | 106.2° | 109.5° |
| O3 | C10 | C12 | 106.5° | 109.5° |
| O3 | C10 | H8 | 109.9° | 109.5° |
| C1 | C2 | C3 | 114.5° | 109.5° |
| C2 | C1 | C | 112.7° | 109.5° |
| C1 | C2 | H23 | 108.2° | 109.5° |
| C1 | C2 | H24 | 108.2° | 109.4° |
| C2 | C1 | H25 | 108.6° | 109.5° |
| C2 | C1 | H26 | 108.7° | 109.4° |
| C2 | C3 | H21 | 109.2° | 109.5° |
| C2 | C3 | H22 | 109.2° | 109.5° |
| C3 | C2 | H23 | 108.2° | 109.5° |
| C3 | C2 | H24 | 108.2° | 109.5° |
| C | C1 | H25 | 108.6° | 109.5° |
| C | C1 | H26 | 108.6° | 109.5° |
| C1 | C | H27 | 109.5° | 109.4° |
| C1 | C | H28 | 109.4° | 109.5° |
| C1 | C | H29 | 109.4° | 109.4° |
| O5 | C13 | C12 | 107.1° | 109.6° |
| O5 | C13 | H6 | 108.4° | 109.6° |
| C13 | O5 | H7 | 109.5° | 114.0° |
| C13 | C12 | C10 | 112.9° | 109.1° |
| C13 | C12 | O4 | 106.5° | 109.5° |
| C12 | C13 | H6 | 106.9° | 109.6° |
| C13 | C12 | H12 | 108.1° | 109.6° |
| C9 | O2 | C10 | 117.9° | 114.1° |
| O2 | C9 | H3 | 110.3° | 109.5° |
| O2 | C10 | C12 | 116.2° | 109.4° |
| O2 | C10 | H8 | 109.6° | 109.5° |
| C10 | C12 | O4 | 112.1° | 109.5° |
| C12 | C10 | H8 | 108.3° | 109.5° |
| C10 | C12 | H12 | 108.0° | 109.5° |
| O4 | C12 | H12 | 109.0° | 109.6° |
| C12 | O4 | H13 | 109.5° | 114.0° |
| H1 | C8 | H2 | 109.4° | 109.4° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H9 | C11 | H11 | 109.5° | 109.5° |
| H10 | C11 | H11 | 109.4° | 109.5° |
| H15 | C6 | H16 | 109.5° | 109.4° |
| H17 | C5 | H18 | 109.5° | 109.5° |
| H19 | C4 | H20 | 109.5° | 109.5° |
| H21 | C3 | H22 | 109.5° | 109.5° |
| H23 | C2 | H24 | 109.5° | 109.5° |
| H25 | C1 | H26 | 109.5° | 109.5° |
| H27 | C | H28 | 109.4° | 109.5° |
| H27 | C | H29 | 109.5° | 109.5° |
| H28 | C | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C6 | C5 | H15 | 120.1° | 120.0° |
| N | C6 | C5 | H16 | 120.1° | 120.1° |
| C6 | N | C7 | H14 | 180.0° | 179.9° |
| C6 | N | C7 | O | 178.6° | 0.0° |
| C6 | N | C7 | O1 | 1.8° | 179.7° |
| N | C6 | C5 | C4 | 175.4° | 180.0° |
| N | C6 | H15 | H16 | 119.7° | 120.0° |
| N | C6 | C5 | H17 | 64.3° | 60.0° |
| N | C6 | C5 | H18 | 55.1° | 60.0° |
| C5 | C6 | N | C7 | 70.7° | 180.0° |
| C6 | C5 | C4 | H17 | 120.3° | 120.0° |
| C6 | C5 | C4 | H18 | 120.3° | 120.0° |
| C6 | C5 | C4 | C3 | 167.6° | 180.0° |
| C5 | C6 | N | H14 | 109.3° | 0.0° |
| C5 | C6 | H15 | H16 | 119.7° | 120.0° |
| C6 | C5 | H17 | H18 | 119.0° | 120.0° |
| C6 | C5 | C4 | H19 | 47.6° | 60.0° |
| C6 | C5 | C4 | H20 | 72.3° | 60.0° |
| N | C7 | O | O1 | 179.6° | 179.7° |
| N | C7 | O1 | C8 | 165.6° | 179.7° |
| C7 | N | C6 | H15 | 49.4° | 60.0° |
| C7 | N | C6 | H16 | 169.2° | 59.9° |
| O | C7 | O1 | C8 | 14.8° | 0.0° |
| O | C7 | N | H14 | 1.4° | 179.9° |
| C7 | O1 | C8 | C9 | 156.7° | 180.0° |
| C7 | O1 | C8 | H1 | 36.1° | 60.0° |
| C7 | O1 | C8 | H2 | 82.8° | 59.9° |
| O1 | C7 | N | H14 | 178.2° | 0.2° |
| C5 | C4 | C3 | H19 | 120.0° | 120.0° |
| C5 | C4 | C3 | H20 | 120.0° | 120.0° |
| C5 | C4 | C3 | C2 | 158.9° | 180.0° |
| C4 | C5 | C6 | H15 | 55.3° | 60.0° |
| C4 | C5 | C6 | H16 | 64.5° | 59.9° |
| C4 | C5 | H17 | H18 | 119.0° | 120.0° |
| C5 | C4 | H19 | H20 | 119.9° | 120.0° |
| C5 | C4 | C3 | H21 | 38.7° | 60.0° |
| C5 | C4 | C3 | H22 | 80.9° | 60.0° |
| C4 | C3 | C2 | C1 | 117.2° | 180.0° |
| C4 | C3 | C2 | H21 | 120.2° | 120.0° |
| C4 | C3 | C2 | H22 | 120.2° | 119.9° |
| C3 | C4 | C5 | H17 | 72.0° | 60.0° |
| C3 | C4 | C5 | H18 | 47.3° | 60.0° |
| C3 | C4 | H19 | H20 | 119.9° | 120.0° |
| C4 | C3 | H21 | H22 | 119.5° | 120.0° |
| C4 | C3 | C2 | H23 | 122.1° | 60.0° |
| C4 | C3 | C2 | H24 | 3.6° | 60.1° |
| O1 | C8 | C9 | H1 | 120.6° | 120.0° |
| O1 | C8 | C9 | H2 | 120.6° | 120.1° |
| O1 | C8 | C9 | C14 | 128.6° | 175.1° |
| O1 | C8 | C9 | O2 | 6.8° | 65.1° |
| O1 | C8 | H1 | H2 | 118.4° | 120.0° |
| O1 | C8 | C9 | H3 | 113.9° | 55.0° |
| C8 | C9 | C14 | O6 | 60.1° | 62.6° |
| C8 | C9 | C14 | C13 | 172.5° | 177.6° |
| C8 | C9 | C14 | O2 | 120.1° | 119.9° |
| C8 | C9 | C14 | H3 | 117.5° | 120.1° |
| C8 | C9 | O2 | H3 | 119.8° | 120.1° |
| C8 | C9 | O2 | C10 | 164.9° | 178.9° |
| C9 | C8 | H1 | H2 | 118.3° | 120.0° |
| C8 | C9 | C14 | H4 | 55.2° | 57.6° |
| O6 | C14 | C13 | C9 | 124.5° | 119.8° |
| O6 | C14 | C13 | H4 | 118.1° | 120.2° |
| O6 | C14 | C9 | H4 | 115.2° | 120.2° |
| O6 | C14 | C13 | O5 | 12.6° | 57.0° |
| O6 | C14 | C13 | C12 | 135.4° | 176.9° |
| O6 | C14 | C9 | O2 | 179.8° | 177.5° |
| O6 | C14 | C9 | H3 | 57.4° | 57.6° |
| O6 | C14 | C13 | H6 | 107.0° | 63.2° |
| C11 | O3 | C10 | O2 | 52.7° | 70.0° |
| C11 | O3 | C10 | C12 | 177.2° | 170.0° |
| C11 | O3 | C10 | H8 | 65.7° | 50.0° |
| O3 | C11 | H9 | H10 | 120.0° | 120.0° |
| O3 | C11 | H9 | H11 | 120.0° | 120.0° |
| O3 | C11 | H10 | H11 | 120.0° | 120.0° |
| C13 | C14 | C9 | H4 | 117.3° | 120.0° |
| C14 | C13 | O5 | C12 | 126.2° | 119.6° |
| C14 | C13 | O5 | H6 | 118.8° | 120.2° |
| C14 | C13 | C12 | H6 | 117.7° | 119.8° |
| C13 | C14 | C9 | O2 | 52.3° | 57.7° |
| C14 | C13 | C12 | C10 | 33.9° | 57.0° |
| C14 | C13 | C12 | O4 | 157.4° | 62.8° |
| C13 | C14 | C9 | H3 | 70.1° | 62.3° |
| C13 | C14 | O6 | H5 | 180.0° | 60.1° |
| C14 | C13 | O5 | H7 | 180.0° | 180.0° |
| C14 | C13 | C12 | H12 | 85.5° | 176.9° |
| C9 | C14 | C13 | O5 | 111.9° | 62.9° |
| C9 | C14 | C13 | C12 | 10.8° | 57.1° |
| C14 | C9 | O2 | H3 | 121.6° | 119.9° |
| C14 | C9 | O2 | C10 | 46.3° | 61.2° |
| C14 | C9 | C8 | H1 | 110.8° | 55.1° |
| C14 | C9 | C8 | H2 | 8.1° | 64.9° |
| C9 | C14 | O6 | H5 | 51.9° | 179.7° |
| C9 | C14 | C13 | H6 | 128.5° | 177.0° |
| O3 | C10 | C12 | C13 | 76.0° | 177.6° |
| O3 | C10 | O2 | C9 | 117.3° | 178.8° |
| O3 | C10 | O2 | C12 | 118.2° | 120.0° |
| O3 | C10 | O2 | H8 | 118.6° | 120.0° |
| O3 | C10 | C12 | H8 | 118.1° | 120.0° |
| O3 | C10 | C12 | O4 | 44.4° | 57.7° |
| C10 | O3 | C11 | H9 | 180.0° | 60.0° |
| C10 | O3 | C11 | H10 | 60.0° | 60.0° |
| C10 | O3 | C11 | H11 | 60.0° | 180.0° |
| O3 | C10 | C12 | H12 | 164.5° | 62.5° |
| C1 | C2 | C3 | H23 | 120.7° | 120.0° |
| C1 | C2 | C3 | H24 | 120.7° | 119.9° |
| C2 | C1 | C | H25 | 120.5° | 120.0° |
| C2 | C1 | C | H26 | 120.5° | 120.0° |
| C1 | C2 | C3 | H21 | 122.7° | 60.0° |
| C1 | C2 | C3 | H22 | 3.0° | 60.1° |
| C1 | C2 | H23 | H24 | 117.7° | 120.0° |
| C2 | C1 | H25 | H26 | 118.6° | 120.0° |
| C2 | C1 | C | H27 | 180.0° | 180.0° |
| C2 | C1 | C | H28 | 60.0° | 60.0° |
| C2 | C1 | C | H29 | 60.0° | 60.0° |
| C3 | C2 | C1 | C | 76.6° | 180.0° |
| C2 | C3 | C4 | H19 | 81.1° | 60.0° |
| C2 | C3 | C4 | H20 | 38.9° | 60.1° |
| C2 | C3 | H21 | H22 | 119.5° | 120.0° |
| C3 | C2 | H23 | H24 | 117.7° | 120.0° |
| C3 | C2 | C1 | H25 | 43.9° | 60.0° |
| C3 | C2 | C1 | H26 | 163.0° | 60.0° |
| C | C1 | C2 | H23 | 44.2° | 60.0° |
| C | C1 | C2 | H24 | 162.7° | 60.0° |
| C | C1 | H25 | H26 | 118.5° | 120.0° |
| C1 | C | H27 | H28 | 120.0° | 120.0° |
| C1 | C | H27 | H29 | 120.0° | 119.9° |
| C1 | C | H28 | H29 | 120.0° | 120.0° |
| O5 | C13 | C12 | H6 | 116.0° | 120.2° |
| O5 | C13 | C12 | C10 | 160.2° | 62.9° |
| O5 | C13 | C12 | O4 | 76.2° | 177.2° |
| O5 | C13 | C14 | H4 | 130.7° | 177.2° |
| O5 | C13 | C12 | H12 | 40.8° | 57.0° |
| C13 | C12 | C10 | O2 | 42.1° | 57.6° |
| C13 | C12 | C10 | O4 | 120.3° | 119.9° |
| C13 | C12 | C10 | H12 | 119.5° | 119.9° |
| C13 | C12 | O4 | H12 | 116.4° | 120.2° |
| C12 | C13 | C14 | H4 | 106.5° | 62.9° |
| C12 | C13 | O5 | H7 | 53.8° | 60.4° |
| C13 | C12 | C10 | H8 | 165.9° | 62.4° |
| C13 | C12 | O4 | H13 | 180.0° | 180.0° |
| C9 | O2 | C10 | C12 | 0.9° | 61.2° |
| O2 | C9 | C8 | H1 | 127.4° | 174.9° |
| O2 | C9 | C8 | H2 | 113.7° | 55.0° |
| O2 | C9 | C14 | H4 | 64.9° | 62.3° |
| C9 | O2 | C10 | H8 | 124.0° | 58.8° |
| O2 | C10 | C12 | H8 | 123.8° | 120.0° |
| O2 | C10 | C12 | O4 | 162.4° | 62.3° |
| C10 | O2 | C9 | H3 | 75.3° | 58.8° |
| O2 | C10 | C12 | H12 | 77.4° | 177.5° |
| C10 | C12 | O4 | H12 | 119.6° | 120.2° |
| C10 | C12 | C13 | H6 | 83.8° | 176.8° |
| C10 | C12 | O4 | H13 | 56.0° | 60.3° |
| O4 | C12 | C13 | H6 | 39.8° | 57.0° |
| O4 | C12 | C10 | H8 | 73.8° | 177.7° |
| H1 | C8 | C9 | H3 | 6.7° | 65.0° |
| H2 | C8 | C9 | H3 | 125.6° | 175.1° |
| H3 | C9 | C14 | H4 | 172.7° | 177.7° |
| H4 | C14 | O6 | H5 | 62.6° | 60.1° |
| H4 | C14 | C13 | H6 | 11.1° | 57.0° |
| H6 | C13 | O5 | H7 | 61.2° | 59.9° |
| H6 | C13 | C12 | H12 | 156.8° | 63.3° |
| H8 | C10 | C12 | H12 | 46.4° | 57.5° |
| H9 | C11 | H10 | H11 | 120.0° | 120.0° |
| H12 | C12 | O4 | H13 | 63.6° | 59.8° |
| H14 | N | C6 | H15 | 130.7° | 120.0° |
| H14 | N | C6 | H16 | 10.8° | 120.1° |
| H15 | C6 | C5 | H17 | 175.7° | 180.0° |
| H15 | C6 | C5 | H18 | 65.0° | 60.0° |
| H16 | C6 | C5 | H17 | 55.8° | 60.1° |
| H16 | C6 | C5 | H18 | 175.2° | 179.9° |
| H17 | C5 | C4 | H19 | 167.9° | 180.0° |
| H17 | C5 | C4 | H20 | 48.0° | 60.0° |
| H18 | C5 | C4 | H19 | 72.7° | 60.0° |
| H18 | C5 | C4 | H20 | 167.3° | 180.0° |
| H19 | C4 | C3 | H21 | 158.7° | 180.0° |
| H19 | C4 | C3 | H22 | 39.1° | 60.0° |
| H20 | C4 | C3 | H21 | 81.3° | 60.0° |
| H20 | C4 | C3 | H22 | 159.0° | 180.0° |
| H21 | C3 | C2 | H23 | 2.0° | 180.0° |
| H21 | C3 | C2 | H24 | 116.6° | 60.0° |
| H22 | C3 | C2 | H23 | 117.7° | 60.0° |
| H22 | C3 | C2 | H24 | 123.7° | 180.0° |
| H23 | C2 | C1 | H25 | 164.6° | 180.0° |
| H23 | C2 | C1 | H26 | 76.3° | 60.0° |
| H24 | C2 | C1 | H25 | 76.9° | 60.0° |
| H24 | C2 | C1 | H26 | 42.2° | 180.0° |
| H25 | C1 | C | H27 | 59.6° | 59.9° |
| H25 | C1 | C | H28 | 179.5° | 180.0° |
| H25 | C1 | C | H29 | 60.5° | 60.0° |
| H26 | C1 | C | H27 | 59.5° | 60.1° |
| H26 | C1 | C | H28 | 60.5° | 60.0° |
| H26 | C1 | C | H29 | 179.5° | 180.0° |
| H27 | C | H28 | H29 | 120.0° | 120.0° |
