U69
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P2 | O7 | doub | 1.48Å | 1.52Å | |
| P2 | O8 | sing | 1.61Å | 1.52Å | |
| P2 | O9 | sing | 1.61Å | 1.85Å | |
| O9 | C10 | sing | 1.43Å | 1.36Å | |
| C10 | C11 | sing | 1.51Å | 1.55Å | |
| C11 | C12 | doub | 1.31Å | 1.35Å | |
| C12 | C13 | sing | 1.52Å | 1.51Å | |
| C12 | C16 | sing | 1.51Å | 1.50Å | |
| C13 | C14 | sing | 1.55Å | 1.55Å | |
| C14 | C15 | sing | 1.55Å | 1.55Å | |
| C15 | C16 | sing | 1.54Å | 1.55Å | |
| O23 | P2 | sing | 1.61Å | 1.52Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| O23 | H1 | sing | 0.97Å | 0.95Å | |
| O8 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | P2 | O8 | 115.3° | 109.5° |
| O7 | P2 | O9 | 102.4° | 109.5° |
| O7 | P2 | O23 | 114.8° | 109.5° |
| O8 | P2 | O9 | 101.8° | 109.5° |
| O8 | P2 | O23 | 115.1° | 109.5° |
| P2 | O8 | H2 | 109.5° | 114.0° |
| P2 | O9 | C10 | 121.7° | 123.0° |
| O9 | P2 | O23 | 105.0° | 109.5° |
| O9 | C10 | C11 | 113.9° | 109.4° |
| O9 | C10 | H101 | 108.3° | 109.4° |
| O9 | C10 | H10 | 108.3° | 109.5° |
| C10 | C11 | C12 | 124.2° | 120.0° |
| C11 | C10 | H101 | 108.4° | 109.5° |
| C11 | C10 | H10 | 108.4° | 109.5° |
| C10 | C11 | H11 | 117.9° | 120.0° |
| C11 | C12 | C13 | 126.1° | 126.3° |
| C11 | C12 | C16 | 123.3° | 126.3° |
| C12 | C11 | H11 | 117.9° | 120.0° |
| C13 | C12 | C16 | 110.5° | 107.3° |
| C12 | C13 | C14 | 107.2° | 104.4° |
| C12 | C13 | H13 | 110.0° | 110.4° |
| C12 | C13 | H131 | 110.0° | 110.5° |
| C12 | C16 | C15 | 107.4° | 106.8° |
| C12 | C16 | H161 | 110.0° | 110.0° |
| C12 | C16 | H16 | 110.0° | 110.0° |
| C13 | C14 | C15 | 107.1° | 102.3° |
| C14 | C13 | H13 | 110.0° | 110.4° |
| C14 | C13 | H131 | 110.1° | 110.5° |
| C13 | C14 | H14 | 110.1° | 110.8° |
| C13 | C14 | H141 | 110.1° | 110.8° |
| C14 | C15 | C16 | 107.3° | 103.8° |
| C14 | C15 | H15 | 110.0° | 110.6° |
| C14 | C15 | H151 | 110.0° | 110.7° |
| C15 | C14 | H14 | 110.1° | 110.8° |
| C15 | C14 | H141 | 110.1° | 110.8° |
| C16 | C15 | H15 | 110.0° | 110.5° |
| C16 | C15 | H151 | 110.0° | 110.6° |
| C15 | C16 | H161 | 110.0° | 110.0° |
| C15 | C16 | H16 | 110.0° | 110.0° |
| P2 | O23 | H1 | 109.5° | 114.0° |
| H101 | C10 | H10 | 109.5° | 109.5° |
| H13 | C13 | H131 | 109.4° | 110.4° |
| H15 | C15 | H151 | 109.5° | 110.5° |
| H14 | C14 | H141 | 109.5° | 111.0° |
| H161 | C16 | H16 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | P2 | O8 | O9 | 110.0° | 120.0° |
| O7 | P2 | O8 | O23 | 137.1° | 120.0° |
| O7 | P2 | O9 | O23 | 120.2° | 120.0° |
| O7 | P2 | O9 | C10 | 81.2° | 55.0° |
| O7 | P2 | O23 | H1 | 0.0° | 180.0° |
| O7 | P2 | O8 | H2 | 0.0° | 60.1° |
| O8 | P2 | O9 | O23 | 120.2° | 120.0° |
| O8 | P2 | O9 | C10 | 38.4° | 175.0° |
| O8 | P2 | O23 | H1 | 137.4° | 60.0° |
| P2 | O9 | C10 | C11 | 74.5° | 180.0° |
| P2 | O9 | C10 | H101 | 164.8° | 60.0° |
| P2 | O9 | C10 | H10 | 46.1° | 60.0° |
| O9 | P2 | O23 | H1 | 111.6° | 60.0° |
| O9 | P2 | O8 | H2 | 110.0° | 180.0° |
| O9 | C10 | C11 | H101 | 120.6° | 119.9° |
| O9 | C10 | C11 | H10 | 120.6° | 120.0° |
| O9 | C10 | C11 | C12 | 170.5° | 135.0° |
| C10 | O9 | P2 | O23 | 158.6° | 65.0° |
| O9 | C10 | H101 | H10 | 118.0° | 120.0° |
| O9 | C10 | C11 | H11 | 9.5° | 44.9° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 179.7° | 180.0° |
| C10 | C11 | C12 | C16 | 0.1° | 0.0° |
| C11 | C10 | H101 | H10 | 118.0° | 120.1° |
| C11 | C12 | C13 | C16 | 179.7° | 180.0° |
| C11 | C12 | C13 | C14 | 172.0° | 156.2° |
| C11 | C12 | C16 | C15 | 173.3° | 179.6° |
| C12 | C11 | C10 | H101 | 49.9° | 105.1° |
| C12 | C11 | C10 | H10 | 68.8° | 15.0° |
| C11 | C12 | C13 | H13 | 68.3° | 37.4° |
| C11 | C12 | C13 | H131 | 52.4° | 85.0° |
| C11 | C12 | C16 | H161 | 53.7° | 60.3° |
| C11 | C12 | C16 | H16 | 67.0° | 61.1° |
| C12 | C13 | C14 | H13 | 119.6° | 118.7° |
| C12 | C13 | C14 | H131 | 119.7° | 118.8° |
| C12 | C13 | C14 | C15 | 5.8° | 37.6° |
| C13 | C12 | C16 | C15 | 6.4° | 0.3° |
| C12 | C13 | H13 | H131 | 121.0° | 122.5° |
| C13 | C12 | C11 | H11 | 0.2° | 0.0° |
| C12 | C13 | C14 | H14 | 125.4° | 80.6° |
| C12 | C13 | C14 | H141 | 113.9° | 155.8° |
| C13 | C12 | C16 | H161 | 126.0° | 119.7° |
| C13 | C12 | C16 | H16 | 113.3° | 119.0° |
| C16 | C12 | C13 | C14 | 7.6° | 23.8° |
| C12 | C16 | C15 | C14 | 2.5° | 23.2° |
| C12 | C16 | C15 | H161 | 119.7° | 119.4° |
| C12 | C16 | C15 | H16 | 119.7° | 119.3° |
| C16 | C12 | C13 | H13 | 112.0° | 142.5° |
| C16 | C12 | C13 | H131 | 127.3° | 95.0° |
| C12 | C16 | C15 | H15 | 122.2° | 141.7° |
| C12 | C16 | C15 | H151 | 117.1° | 95.6° |
| C16 | C12 | C11 | H11 | 179.9° | 180.0° |
| C12 | C16 | H161 | H16 | 121.0° | 121.3° |
| C13 | C14 | C15 | H14 | 119.6° | 118.2° |
| C13 | C14 | C15 | H141 | 119.6° | 118.2° |
| C13 | C14 | C15 | C16 | 2.0° | 37.1° |
| C14 | C13 | H13 | H131 | 121.1° | 122.5° |
| C13 | C14 | C15 | H15 | 117.7° | 155.7° |
| C13 | C14 | C15 | H151 | 121.7° | 81.5° |
| C13 | C14 | H14 | H141 | 121.1° | 123.6° |
| C14 | C15 | C16 | H15 | 119.7° | 118.6° |
| C14 | C15 | C16 | H151 | 119.7° | 118.7° |
| C15 | C14 | C13 | H13 | 113.9° | 156.4° |
| C15 | C14 | C13 | H131 | 125.4° | 81.2° |
| C14 | C15 | H15 | H151 | 121.0° | 123.0° |
| C15 | C14 | H14 | H141 | 121.1° | 123.6° |
| C14 | C15 | C16 | H161 | 122.2° | 96.2° |
| C14 | C15 | C16 | H16 | 117.1° | 142.5° |
| C16 | C15 | H15 | H151 | 121.0° | 122.7° |
| C16 | C15 | C14 | H14 | 121.6° | 81.1° |
| C16 | C15 | C14 | H141 | 117.6° | 155.3° |
| C15 | C16 | H161 | H16 | 121.0° | 121.3° |
| O23 | P2 | O8 | H2 | 137.1° | 59.9° |
| H101 | C10 | C11 | H11 | 130.1° | 75.0° |
| H10 | C10 | C11 | H11 | 111.2° | 164.9° |
| H13 | C13 | C14 | H14 | 5.7° | 38.2° |
| H13 | C13 | C14 | H141 | 126.5° | 85.5° |
| H131 | C13 | C14 | H14 | 114.9° | 160.6° |
| H131 | C13 | C14 | H141 | 5.8° | 37.0° |
| H15 | C15 | C14 | H14 | 1.9° | 37.5° |
| H15 | C15 | C14 | H141 | 122.7° | 86.2° |
| H15 | C15 | C16 | H161 | 118.1° | 22.4° |
| H15 | C15 | C16 | H16 | 2.6° | 98.9° |
| H151 | C15 | C14 | H14 | 118.7° | 160.3° |
| H151 | C15 | C14 | H141 | 2.0° | 36.6° |
| H151 | C15 | C16 | H161 | 2.5° | 145.1° |
| H151 | C15 | C16 | H16 | 123.2° | 23.7° |
