UN9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C16 | doub | 1.34Å | 1.25Å | |
| C16 | O17 | sing | 1.21Å | 1.24Å | |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| O17 | HO17 | sing | 4.69Å | 0.95Å | |
| C15 | N14 | sing | 1.47Å | 1.41Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| N14 | C12 | sing | 1.35Å | 1.38Å | |
| N14 | HN14 | sing | 0.97Å | 1.00Å | |
| C12 | O13 | doub | 1.22Å | 1.22Å | |
| C12 | C9 | sing | 1.47Å | 1.48Å | |
| C9 | N8 | sing | 1.34Å | 1.36Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| N8 | C7 | doub | 1.31Å | 1.32Å | Aromatic |
| C7 | CL1 | sing | 1.74Å | 1.67Å | |
| C7 | C2 | sing | 1.41Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.42Å | 1.41Å | Aromatic |
| C2 | C1 | doub | 1.40Å | 1.44Å | Aromatic |
| C10 | O19 | sing | 1.36Å | 1.35Å | |
| C10 | C3 | sing | 1.41Å | 1.41Å | Aromatic |
| O19 | HO19 | sing | 0.97Å | 0.95Å | |
| C3 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.36Å | 1.38Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C1 | sing | 1.36Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C16 | O17 | 127.2° | 120.0° |
| O18 | C16 | C15 | 118.3° | 120.0° |
| O17 | C16 | C15 | 114.4° | 120.0° |
| C16 | O17 | HO17 | 109.5° | 90.8° |
| C16 | C15 | N14 | 110.8° | 109.5° |
| C16 | C15 | H151 | 109.0° | 109.5° |
| C16 | C15 | H152 | 108.7° | 109.5° |
| N14 | C15 | H151 | 109.0° | 109.5° |
| N14 | C15 | H152 | 108.7° | 109.4° |
| C15 | N14 | C12 | 121.5° | 120.0° |
| C15 | N14 | HN14 | 119.2° | 120.0° |
| H151 | C15 | H152 | 110.5° | 109.5° |
| C12 | N14 | HN14 | 119.3° | 120.0° |
| N14 | C12 | O13 | 121.8° | 120.0° |
| N14 | C12 | C9 | 121.0° | 120.0° |
| O13 | C12 | C9 | 117.1° | 120.0° |
| C12 | C9 | N8 | 116.9° | 119.3° |
| C12 | C9 | C10 | 122.6° | 119.4° |
| N8 | C9 | C10 | 120.5° | 121.3° |
| C9 | N8 | C7 | 122.9° | 122.7° |
| C9 | C10 | O19 | 122.2° | 120.8° |
| C9 | C10 | C3 | 117.4° | 118.4° |
| N8 | C7 | CL1 | 114.5° | 119.8° |
| N8 | C7 | C2 | 119.9° | 120.5° |
| CL1 | C7 | C2 | 125.6° | 119.8° |
| C7 | C2 | C3 | 119.4° | 118.9° |
| C7 | C2 | C1 | 122.8° | 121.8° |
| C3 | C2 | C1 | 117.8° | 119.3° |
| C2 | C3 | C10 | 119.9° | 118.3° |
| C2 | C3 | C4 | 119.5° | 119.6° |
| C2 | C1 | C6 | 121.0° | 119.6° |
| C2 | C1 | H1 | 119.5° | 120.2° |
| O19 | C10 | C3 | 120.2° | 120.8° |
| C10 | O19 | HO19 | 109.5° | 106.8° |
| C10 | C3 | C4 | 120.3° | 122.1° |
| C3 | C4 | C5 | 122.9° | 119.5° |
| C3 | C4 | H4 | 118.5° | 120.2° |
| C5 | C4 | H4 | 118.5° | 120.3° |
| C4 | C5 | C6 | 118.7° | 120.9° |
| C4 | C5 | H5 | 120.6° | 119.6° |
| C6 | C5 | H5 | 120.7° | 119.5° |
| C5 | C6 | C1 | 119.9° | 121.1° |
| C5 | C6 | H6 | 120.0° | 119.4° |
| C1 | C6 | H6 | 120.1° | 119.5° |
| C6 | C1 | H1 | 119.5° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C16 | O17 | C15 | 178.3° | 180.0° |
| O18 | C16 | O17 | HO17 | 0.0° | 179.9° |
| O18 | C16 | C15 | N14 | 5.0° | 180.0° |
| O18 | C16 | C15 | H151 | 115.1° | 60.0° |
| O18 | C16 | C15 | H152 | 124.4° | 60.1° |
| O17 | C16 | C15 | N14 | 173.5° | 0.0° |
| O17 | C16 | C15 | H151 | 66.4° | 120.0° |
| O17 | C16 | C15 | H152 | 54.1° | 120.0° |
| C15 | C16 | O17 | HO17 | 178.3° | 0.1° |
| C16 | C15 | N14 | H151 | 120.0° | 120.0° |
| C16 | C15 | N14 | H152 | 119.5° | 120.0° |
| C16 | C15 | H151 | H152 | 119.4° | 120.1° |
| C16 | C15 | N14 | C12 | 170.8° | 180.0° |
| C16 | C15 | N14 | HN14 | 9.1° | 0.1° |
| N14 | C15 | H151 | H152 | 119.4° | 119.9° |
| C15 | N14 | C12 | HN14 | 180.0° | 179.9° |
| C15 | N14 | C12 | O13 | 14.6° | 0.1° |
| C15 | N14 | C12 | C9 | 169.7° | 180.0° |
| H151 | C15 | N14 | C12 | 50.8° | 59.9° |
| H151 | C15 | N14 | HN14 | 129.1° | 120.0° |
| H152 | C15 | N14 | C12 | 69.7° | 60.0° |
| H152 | C15 | N14 | HN14 | 110.3° | 120.1° |
| N14 | C12 | O13 | C9 | 175.8° | 179.9° |
| N14 | C12 | C9 | N8 | 164.6° | 0.1° |
| N14 | C12 | C9 | C10 | 16.4° | 179.8° |
| HN14 | N14 | C12 | O13 | 165.4° | 180.0° |
| HN14 | N14 | C12 | C9 | 10.3° | 0.1° |
| O13 | C12 | C9 | N8 | 19.6° | 180.0° |
| O13 | C12 | C9 | C10 | 159.5° | 0.3° |
| C12 | C9 | N8 | C10 | 179.1° | 179.7° |
| C12 | C9 | N8 | C7 | 178.4° | 179.9° |
| C12 | C9 | C10 | O19 | 3.9° | 0.1° |
| C12 | C9 | C10 | C3 | 179.3° | 179.9° |
| C9 | N8 | C7 | CL1 | 179.9° | 180.0° |
| C9 | N8 | C7 | C2 | 1.6° | 0.0° |
| N8 | C9 | C10 | O19 | 177.1° | 179.7° |
| N8 | C9 | C10 | C3 | 1.7° | 0.4° |
| C10 | C9 | N8 | C7 | 0.7° | 0.2° |
| C9 | C10 | C3 | C2 | 3.2° | 0.4° |
| C9 | C10 | O19 | C3 | 175.3° | 179.8° |
| C9 | C10 | O19 | HO19 | 68.2° | 90.2° |
| C9 | C10 | C3 | C4 | 177.3° | 179.8° |
| N8 | C7 | CL1 | C2 | 178.4° | 179.9° |
| N8 | C7 | C2 | C3 | 0.1° | 0.1° |
| N8 | C7 | C2 | C1 | 178.4° | 180.0° |
| CL1 | C7 | C2 | C3 | 178.4° | 180.0° |
| CL1 | C7 | C2 | C1 | 3.2° | 0.1° |
| C7 | C2 | C3 | C1 | 178.5° | 179.9° |
| C7 | C2 | C3 | C10 | 2.4° | 0.2° |
| C7 | C2 | C3 | C4 | 176.5° | 180.0° |
| C7 | C2 | C1 | C6 | 179.5° | 179.9° |
| C7 | C2 | C1 | H1 | 0.5° | 0.0° |
| C2 | C3 | C10 | O19 | 178.7° | 179.8° |
| C2 | C3 | C10 | C4 | 174.1° | 179.8° |
| C2 | C3 | C4 | C5 | 3.9° | 0.1° |
| C2 | C3 | C4 | H4 | 176.1° | 179.9° |
| C3 | C2 | C1 | C6 | 2.1° | 0.0° |
| C3 | C2 | C1 | H1 | 178.0° | 180.0° |
| C1 | C2 | C3 | C10 | 176.1° | 179.8° |
| C1 | C2 | C3 | C4 | 1.9° | 0.1° |
| C2 | C1 | C6 | C5 | 4.3° | 0.0° |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C2 | C1 | C6 | H6 | 175.7° | 180.0° |
| O19 | C10 | C3 | C4 | 7.2° | 0.0° |
| C3 | C10 | O19 | HO19 | 116.5° | 90.0° |
| C10 | C3 | C4 | C5 | 178.0° | 179.7° |
| C10 | C3 | C4 | H4 | 2.0° | 0.3° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.6° | 0.1° |
| C3 | C4 | C5 | H5 | 178.4° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 2.5° | 0.0° |
| C4 | C5 | C6 | H6 | 177.5° | 179.9° |
| H4 | C4 | C5 | C6 | 178.4° | 179.9° |
| H4 | C4 | C5 | H5 | 1.6° | 0.0° |
| C5 | C6 | C1 | H6 | 180.0° | 180.0° |
| C5 | C6 | C1 | H1 | 175.7° | 180.0° |
| H5 | C5 | C6 | C1 | 177.5° | 180.0° |
| H5 | C5 | C6 | H6 | 2.5° | 0.0° |
| H6 | C6 | C1 | H1 | 4.3° | 0.0° |
