U3U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | O06 | sing | 1.43Å | 1.40Å | |
| O06 | N05 | sing | 1.42Å | 1.41Å | |
| N05 | C04 | sing | 1.35Å | 1.46Å | |
| BR11 | C10 | sing | 1.89Å | 1.94Å | |
| N09 | C10 | sing | 1.35Å | 1.49Å | |
| N09 | C03 | sing | 1.37Å | 1.48Å | |
| C10 | C12 | doub | 1.36Å | 1.53Å | |
| C04 | C03 | sing | 1.48Å | 1.54Å | |
| C04 | O08 | doub | 1.22Å | 1.17Å | |
| C03 | C02 | doub | 1.37Å | 1.54Å | |
| C12 | C13 | sing | 1.41Å | 1.48Å | |
| C02 | C13 | sing | 1.47Å | 1.48Å | |
| C02 | O01 | sing | 1.36Å | 1.40Å | |
| C13 | O14 | doub | 1.22Å | 1.19Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H073 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N09 | H1 | sing | 0.97Å | 1.00Å | |
| O01 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | O06 | N05 | 110.1° | 114.0° |
| O06 | C07 | H072 | 109.5° | 109.5° |
| O06 | C07 | H073 | 109.5° | 109.5° |
| O06 | C07 | H071 | 109.5° | 109.5° |
| O06 | N05 | C04 | 121.7° | 120.1° |
| O06 | N05 | H051 | 119.1° | 120.0° |
| N05 | C04 | C03 | 121.3° | 120.0° |
| N05 | C04 | O08 | 119.4° | 120.0° |
| C04 | N05 | H051 | 119.2° | 120.0° |
| BR11 | C10 | N09 | 119.9° | 119.1° |
| BR11 | C10 | C12 | 120.1° | 119.2° |
| C10 | N09 | C03 | 120.0° | 122.1° |
| N09 | C10 | C12 | 120.1° | 121.7° |
| C10 | N09 | H1 | 120.0° | 118.9° |
| N09 | C03 | C04 | 117.5° | 119.9° |
| N09 | C03 | C02 | 119.6° | 120.2° |
| C03 | N09 | H1 | 120.0° | 119.0° |
| C10 | C12 | C13 | 119.8° | 119.5° |
| C10 | C12 | H121 | 120.1° | 120.2° |
| C03 | C04 | O08 | 119.3° | 120.0° |
| C04 | C03 | C02 | 122.9° | 119.9° |
| C03 | C02 | C13 | 120.4° | 118.4° |
| C03 | C02 | O01 | 123.3° | 120.8° |
| C12 | C13 | C02 | 120.1° | 118.1° |
| C12 | C13 | O14 | 121.1° | 120.9° |
| C13 | C12 | H121 | 120.1° | 120.3° |
| C13 | C02 | O01 | 116.3° | 120.8° |
| C02 | C13 | O14 | 118.7° | 121.0° |
| C02 | O01 | H2 | 109.5° | 114.0° |
| H072 | C07 | H073 | 109.4° | 109.5° |
| H072 | C07 | H071 | 109.5° | 109.5° |
| H073 | C07 | H071 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | O06 | N05 | C04 | 132.9° | 180.0° |
| O06 | C07 | H072 | H073 | 120.0° | 120.0° |
| O06 | C07 | H072 | H071 | 120.0° | 120.0° |
| O06 | C07 | H073 | H071 | 120.0° | 120.0° |
| C07 | O06 | N05 | H051 | 47.1° | 0.0° |
| O06 | N05 | C04 | H051 | 180.0° | 180.0° |
| O06 | N05 | C04 | C03 | 179.2° | 180.0° |
| O06 | N05 | C04 | O08 | 0.8° | 0.0° |
| N05 | O06 | C07 | H072 | 180.0° | 60.0° |
| N05 | O06 | C07 | H073 | 60.0° | 60.0° |
| N05 | O06 | C07 | H071 | 60.0° | 180.0° |
| N05 | C04 | C03 | N09 | 2.0° | 0.0° |
| N05 | C04 | C03 | O08 | 180.0° | 179.9° |
| N05 | C04 | C03 | C02 | 177.7° | 180.0° |
| BR11 | C10 | N09 | C12 | 179.6° | 179.7° |
| BR11 | C10 | N09 | C03 | 179.5° | 179.7° |
| BR11 | C10 | C12 | C13 | 179.5° | 179.7° |
| BR11 | C10 | C12 | H121 | 0.4° | 0.3° |
| BR11 | C10 | N09 | H1 | 0.5° | 0.3° |
| C10 | N09 | C03 | H1 | 180.0° | 180.0° |
| C10 | N09 | C03 | C04 | 179.7° | 180.0° |
| C10 | N09 | C03 | C02 | 0.1° | 0.0° |
| N09 | C10 | C12 | C13 | 0.1° | 0.0° |
| N09 | C10 | C12 | H121 | 179.9° | 180.0° |
| C03 | N09 | C10 | C12 | 0.1° | 0.0° |
| N09 | C03 | C04 | C02 | 179.8° | 180.0° |
| N09 | C03 | C04 | O08 | 177.9° | 179.9° |
| N09 | C03 | C02 | C13 | 0.0° | 0.0° |
| N09 | C03 | C02 | O01 | 179.8° | 180.0° |
| C10 | C12 | C13 | H121 | 180.0° | 180.0° |
| C10 | C12 | C13 | C02 | 0.0° | 0.0° |
| C10 | C12 | C13 | O14 | 180.0° | 180.0° |
| C12 | C10 | N09 | H1 | 179.9° | 180.0° |
| C04 | C03 | C02 | C13 | 179.8° | 180.0° |
| C04 | C03 | C02 | O01 | 0.0° | 0.0° |
| C03 | C04 | N05 | H051 | 0.8° | 0.0° |
| C04 | C03 | N09 | H1 | 0.3° | 0.0° |
| O08 | C04 | C03 | C02 | 2.3° | 0.1° |
| O08 | C04 | N05 | H051 | 179.2° | 180.0° |
| C03 | C02 | C13 | C12 | 0.1° | 0.0° |
| C03 | C02 | C13 | O01 | 179.8° | 180.0° |
| C03 | C02 | C13 | O14 | 180.0° | 180.0° |
| C02 | C03 | N09 | H1 | 179.9° | 180.0° |
| C03 | C02 | O01 | H2 | 179.9° | 180.0° |
| C12 | C13 | C02 | O14 | 180.0° | 180.0° |
| C12 | C13 | C02 | O01 | 179.8° | 180.0° |
| C02 | C13 | C12 | H121 | 180.0° | 180.0° |
| C13 | C02 | O01 | H2 | 0.1° | 0.0° |
| O01 | C02 | C13 | O14 | 0.2° | 0.0° |
| O14 | C13 | C12 | H121 | 0.0° | 0.0° |
| H072 | C07 | H073 | H071 | 120.0° | 120.0° |
