U29
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C1 | doub | 1.21Å | 1.22Å | |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C1 | N | sing | 1.35Å | 1.36Å | |
| N | C5 | sing | 1.47Å | 1.49Å | |
| N | C2 | sing | 1.47Å | 1.47Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.55Å | 1.53Å | |
| C2 | C7 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | sing | 1.54Å | 1.53Å | |
| C4 | C3 | sing | 1.55Å | 1.53Å | |
| O1 | C7 | doub | 1.21Å | 1.20Å | |
| C7 | O2 | sing | 1.34Å | 1.33Å | |
| O2 | C8 | sing | 1.45Å | 1.45Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C1 | C | 121.4° | 120.0° |
| O | C1 | N | 120.3° | 120.1° |
| C | C1 | N | 118.3° | 120.0° |
| C1 | C | H10 | 109.5° | 109.5° |
| C1 | C | H11 | 109.5° | 109.5° |
| C1 | C | H12 | 109.5° | 109.5° |
| C1 | N | C5 | 127.7° | 125.6° |
| C1 | N | C2 | 119.6° | 125.7° |
| C5 | N | C2 | 112.6° | 108.7° |
| N | C5 | C6 | 112.7° | 110.3° |
| N | C5 | C4 | 102.8° | 104.8° |
| N | C5 | H3 | 109.8° | 110.5° |
| N | C2 | C7 | 115.2° | 109.9° |
| N | C2 | C3 | 102.5° | 107.3° |
| N | C2 | H13 | 109.4° | 109.9° |
| C6 | C5 | C4 | 112.9° | 110.4° |
| C6 | C5 | H3 | 109.3° | 110.3° |
| C5 | C6 | H4 | 109.5° | 109.4° |
| C5 | C6 | H5 | 109.5° | 109.5° |
| C5 | C6 | H6 | 109.5° | 109.5° |
| C5 | C4 | C3 | 104.4° | 101.6° |
| C5 | C4 | H1 | 110.7° | 111.0° |
| C5 | C4 | H2 | 110.7° | 111.0° |
| C4 | C5 | H3 | 109.2° | 110.4° |
| C7 | C2 | C3 | 112.2° | 109.8° |
| C2 | C7 | O1 | 124.2° | 120.0° |
| C2 | C7 | O2 | 112.1° | 120.0° |
| C7 | C2 | H13 | 108.6° | 109.9° |
| C2 | C3 | C4 | 102.9° | 102.9° |
| C3 | C2 | H13 | 108.6° | 110.0° |
| C2 | C3 | H14 | 111.1° | 110.8° |
| C2 | C3 | H15 | 111.1° | 110.7° |
| C3 | C4 | H1 | 110.7° | 111.0° |
| C3 | C4 | H2 | 110.7° | 111.0° |
| C4 | C3 | H14 | 111.1° | 110.7° |
| C4 | C3 | H15 | 111.1° | 110.7° |
| O1 | C7 | O2 | 123.8° | 120.0° |
| C7 | O2 | C8 | 116.2° | 117.0° |
| O2 | C8 | H7 | 109.5° | 109.4° |
| O2 | C8 | H8 | 109.5° | 109.5° |
| O2 | C8 | H9 | 109.5° | 109.4° |
| H1 | C4 | H2 | 109.5° | 110.9° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H4 | C6 | H6 | 109.5° | 109.4° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H7 | C8 | H9 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H10 | C | H11 | 109.4° | 109.5° |
| H10 | C | H12 | 109.5° | 109.4° |
| H11 | C | H12 | 109.5° | 109.4° |
| H14 | C3 | H15 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C1 | C | N | 180.0° | 180.0° |
| O | C1 | N | C5 | 135.5° | 0.0° |
| O | C1 | N | C2 | 39.5° | 179.9° |
| O | C1 | C | H10 | 0.0° | 0.0° |
| O | C1 | C | H11 | 120.0° | 120.0° |
| O | C1 | C | H12 | 120.0° | 120.0° |
| C | C1 | N | C5 | 44.5° | 180.0° |
| C | C1 | N | C2 | 140.5° | 0.1° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| C1 | C | H10 | H12 | 120.0° | 120.0° |
| C1 | C | H11 | H12 | 120.0° | 120.0° |
| C1 | N | C5 | C2 | 175.3° | 179.9° |
| C1 | N | C5 | C6 | 66.4° | 85.4° |
| C1 | N | C5 | C4 | 171.7° | 155.8° |
| C1 | N | C2 | C7 | 42.3° | 61.7° |
| C1 | N | C2 | C3 | 164.4° | 178.9° |
| C1 | N | C5 | H3 | 55.6° | 36.9° |
| N | C1 | C | H10 | 180.0° | 180.0° |
| N | C1 | C | H11 | 60.0° | 60.0° |
| N | C1 | C | H12 | 60.0° | 60.0° |
| C1 | N | C2 | H13 | 80.4° | 59.3° |
| N | C5 | C6 | C4 | 115.9° | 115.4° |
| N | C5 | C6 | H3 | 122.4° | 122.4° |
| N | C5 | C4 | H3 | 116.5° | 119.0° |
| C5 | N | C2 | C7 | 142.0° | 118.4° |
| C5 | N | C2 | C3 | 19.9° | 1.0° |
| N | C5 | C4 | C3 | 25.6° | 37.0° |
| N | C5 | C4 | H1 | 93.5° | 81.1° |
| N | C5 | C4 | H2 | 144.9° | 155.1° |
| N | C5 | C6 | H4 | 180.0° | 176.8° |
| N | C5 | C6 | H5 | 60.0° | 63.2° |
| N | C5 | C6 | H6 | 60.0° | 56.9° |
| C5 | N | C2 | H13 | 95.3° | 120.6° |
| C2 | N | C5 | C6 | 118.3° | 94.7° |
| C2 | N | C5 | C4 | 3.6° | 24.1° |
| N | C2 | C7 | C3 | 116.8° | 117.8° |
| N | C2 | C7 | H13 | 123.1° | 121.1° |
| N | C2 | C3 | H13 | 115.7° | 119.5° |
| N | C2 | C3 | C4 | 34.9° | 22.2° |
| N | C2 | C7 | O1 | 121.5° | 0.1° |
| N | C2 | C7 | O2 | 58.8° | 180.0° |
| C2 | N | C5 | H3 | 119.7° | 143.0° |
| N | C2 | C3 | H14 | 84.1° | 140.6° |
| N | C2 | C3 | H15 | 153.8° | 96.1° |
| C6 | C5 | C4 | H3 | 121.8° | 122.2° |
| C6 | C5 | C4 | C3 | 96.1° | 81.8° |
| C6 | C5 | C4 | H1 | 144.7° | 160.1° |
| C6 | C5 | C4 | H2 | 23.1° | 36.3° |
| C5 | C6 | H4 | H5 | 120.0° | 120.0° |
| C5 | C6 | H4 | H6 | 120.0° | 120.0° |
| C5 | C6 | H5 | H6 | 120.0° | 120.0° |
| C5 | C4 | C3 | C2 | 38.1° | 35.5° |
| C5 | C4 | C3 | H1 | 119.2° | 118.1° |
| C5 | C4 | C3 | H2 | 119.2° | 118.1° |
| C5 | C4 | H1 | H2 | 122.3° | 123.8° |
| C4 | C5 | C6 | H4 | 64.0° | 61.5° |
| C4 | C5 | C6 | H5 | 175.9° | 178.6° |
| C4 | C5 | C6 | H6 | 56.0° | 58.5° |
| C5 | C4 | C3 | H14 | 80.9° | 153.9° |
| C5 | C4 | C3 | H15 | 157.0° | 82.9° |
| C7 | C2 | C3 | H13 | 120.1° | 121.1° |
| C7 | C2 | C3 | C4 | 159.1° | 141.6° |
| C2 | C7 | O1 | O2 | 179.6° | 179.9° |
| C2 | C7 | O2 | C8 | 145.6° | 180.0° |
| C7 | C2 | C3 | H14 | 40.1° | 100.0° |
| C7 | C2 | C3 | H15 | 82.0° | 23.3° |
| C2 | C3 | C4 | H14 | 118.9° | 118.4° |
| C2 | C3 | C4 | H15 | 119.0° | 118.4° |
| C3 | C2 | C7 | O1 | 121.7° | 117.9° |
| C3 | C2 | C7 | O2 | 58.0° | 62.2° |
| C2 | C3 | C4 | H1 | 81.1° | 82.6° |
| C2 | C3 | C4 | H2 | 157.3° | 153.6° |
| C2 | C3 | H14 | H15 | 123.1° | 123.3° |
| C3 | C4 | H1 | H2 | 122.3° | 123.9° |
| C3 | C4 | C5 | H3 | 142.2° | 156.0° |
| C4 | C3 | C2 | H13 | 80.9° | 97.3° |
| C4 | C3 | H14 | H15 | 123.0° | 123.2° |
| O1 | C7 | O2 | C8 | 34.1° | 0.1° |
| O1 | C7 | C2 | H13 | 1.6° | 121.0° |
| C7 | O2 | C8 | H7 | 180.0° | 180.0° |
| C7 | O2 | C8 | H8 | 60.0° | 60.0° |
| C7 | O2 | C8 | H9 | 60.0° | 60.0° |
| O2 | C7 | C2 | H13 | 178.1° | 58.9° |
| O2 | C8 | H7 | H8 | 120.0° | 120.0° |
| O2 | C8 | H7 | H9 | 120.0° | 120.0° |
| O2 | C8 | H8 | H9 | 120.0° | 120.0° |
| H1 | C4 | C5 | H3 | 23.0° | 37.9° |
| H1 | C4 | C3 | H14 | 160.0° | 35.8° |
| H1 | C4 | C3 | H15 | 37.9° | 159.1° |
| H2 | C4 | C5 | H3 | 98.6° | 85.9° |
| H2 | C4 | C3 | H14 | 38.4° | 88.0° |
| H2 | C4 | C3 | H15 | 83.7° | 35.2° |
| H3 | C5 | C6 | H4 | 57.7° | 60.8° |
| H3 | C5 | C6 | H5 | 62.3° | 59.2° |
| H3 | C5 | C6 | H6 | 177.7° | 179.2° |
| H4 | C6 | H5 | H6 | 120.0° | 120.0° |
| H7 | C8 | H8 | H9 | 120.0° | 120.0° |
| H10 | C | H11 | H12 | 120.0° | 119.9° |
| H13 | C2 | C3 | H14 | 160.2° | 21.0° |
| H13 | C2 | C3 | H15 | 38.1° | 144.4° |
