N3U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O14 | P11 | doub | 1.48Å | 1.49Å | |
| O12 | P11 | sing | 1.61Å | 1.49Å | |
| O13 | P11 | sing | 1.61Å | 1.49Å | |
| P11 | O10 | sing | 1.61Å | 1.63Å | |
| O05 | C04 | doub | 1.21Å | 1.18Å | |
| O10 | C01 | sing | 1.43Å | 1.39Å | |
| O08 | C03 | sing | 1.43Å | 1.42Å | |
| C04 | C03 | sing | 1.51Å | 1.55Å | |
| C04 | C06 | sing | 1.51Å | 1.55Å | |
| O07 | C06 | sing | 1.43Å | 1.40Å | |
| C01 | C02 | sing | 1.53Å | 1.57Å | |
| C03 | C02 | sing | 1.53Å | 1.58Å | |
| C02 | O09 | sing | 1.43Å | 1.42Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| O07 | H071 | sing | 0.97Å | 0.95Å | |
| O08 | H081 | sing | 0.97Å | 0.95Å | |
| O09 | H091 | sing | 0.97Å | 0.95Å | |
| O12 | H1 | sing | 0.97Å | 0.95Å | |
| O13 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O14 | P11 | O12 | 110.1° | 109.4° |
| O14 | P11 | O13 | 109.7° | 109.5° |
| O14 | P11 | O10 | 111.3° | 109.4° |
| O12 | P11 | O13 | 110.1° | 109.5° |
| O12 | P11 | O10 | 107.8° | 109.4° |
| P11 | O12 | H1 | 109.5° | 114.0° |
| O13 | P11 | O10 | 107.8° | 109.5° |
| P11 | O13 | H2 | 109.5° | 114.0° |
| P11 | O10 | C01 | 122.0° | 123.1° |
| O05 | C04 | C03 | 119.6° | 120.0° |
| O05 | C04 | C06 | 118.1° | 120.0° |
| O10 | C01 | C02 | 110.6° | 109.5° |
| O10 | C01 | H012 | 109.2° | 109.5° |
| O10 | C01 | H011 | 109.2° | 109.4° |
| O08 | C03 | C04 | 108.6° | 109.5° |
| O08 | C03 | C02 | 110.0° | 109.4° |
| O08 | C03 | H031 | 109.2° | 109.5° |
| C03 | O08 | H081 | 109.5° | 114.0° |
| C03 | C04 | C06 | 122.2° | 120.0° |
| C04 | C03 | C02 | 114.2° | 109.4° |
| C04 | C03 | H031 | 107.5° | 109.5° |
| C04 | C06 | O07 | 114.6° | 109.4° |
| C04 | C06 | H061 | 108.2° | 109.5° |
| C04 | C06 | H062 | 108.2° | 109.5° |
| O07 | C06 | H061 | 108.2° | 109.5° |
| O07 | C06 | H062 | 108.2° | 109.5° |
| C06 | O07 | H071 | 109.5° | 114.0° |
| C01 | C02 | C03 | 111.0° | 109.5° |
| C01 | C02 | O09 | 113.3° | 109.5° |
| C02 | C01 | H012 | 109.2° | 109.5° |
| C02 | C01 | H011 | 109.2° | 109.5° |
| C01 | C02 | H021 | 106.1° | 109.4° |
| C03 | C02 | O09 | 112.0° | 109.5° |
| C03 | C02 | H021 | 106.1° | 109.4° |
| C02 | C03 | H031 | 107.2° | 109.5° |
| O09 | C02 | H021 | 107.9° | 109.5° |
| C02 | O09 | H091 | 109.5° | 114.0° |
| H012 | C01 | H011 | 109.4° | 109.4° |
| H061 | C06 | H062 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O14 | P11 | O12 | O13 | 121.1° | 120.0° |
| O14 | P11 | O12 | O10 | 121.6° | 119.9° |
| O14 | P11 | O13 | O10 | 121.3° | 120.0° |
| O14 | P11 | O10 | C01 | 63.9° | 54.9° |
| O14 | P11 | O12 | H1 | 0.0° | 180.0° |
| O14 | P11 | O13 | H2 | 0.0° | 60.0° |
| O12 | P11 | O13 | O10 | 117.4° | 120.0° |
| O12 | P11 | O10 | C01 | 175.3° | 65.0° |
| O12 | P11 | O13 | H2 | 121.3° | 60.0° |
| O13 | P11 | O10 | C01 | 56.5° | 175.0° |
| O13 | P11 | O12 | H1 | 121.1° | 60.0° |
| P11 | O10 | C01 | C02 | 142.6° | 180.0° |
| P11 | O10 | C01 | H012 | 97.2° | 59.9° |
| P11 | O10 | C01 | H011 | 22.4° | 60.0° |
| O10 | P11 | O12 | H1 | 121.6° | 60.0° |
| O10 | P11 | O13 | H2 | 121.3° | 180.0° |
| O05 | C04 | C03 | O08 | 3.3° | 20.0° |
| O05 | C04 | C03 | C06 | 178.6° | 180.0° |
| O05 | C04 | C06 | O07 | 22.3° | 0.0° |
| O05 | C04 | C03 | C02 | 119.9° | 100.0° |
| O05 | C04 | C03 | H031 | 121.3° | 140.0° |
| O05 | C04 | C06 | H061 | 98.4° | 120.0° |
| O05 | C04 | C06 | H062 | 143.1° | 120.0° |
| O10 | C01 | C02 | H012 | 120.2° | 120.0° |
| O10 | C01 | C02 | H011 | 120.2° | 120.0° |
| O10 | C01 | C02 | C03 | 56.2° | 175.0° |
| O10 | C01 | C02 | O09 | 70.8° | 65.0° |
| O10 | C01 | H012 | H011 | 119.5° | 119.9° |
| O10 | C01 | C02 | H021 | 171.0° | 55.0° |
| O08 | C03 | C04 | C02 | 123.2° | 119.9° |
| O08 | C03 | C04 | H031 | 118.0° | 120.1° |
| O08 | C03 | C04 | C06 | 178.2° | 160.0° |
| O08 | C03 | C02 | C01 | 52.2° | 55.0° |
| O08 | C03 | C02 | H031 | 118.6° | 120.0° |
| O08 | C03 | C02 | O09 | 179.9° | 65.0° |
| O08 | C03 | C02 | H021 | 62.7° | 175.0° |
| C03 | C04 | C06 | O07 | 159.1° | 180.0° |
| C04 | C03 | C02 | C01 | 70.3° | 175.0° |
| C04 | C03 | C02 | H031 | 119.0° | 120.0° |
| C04 | C03 | C02 | O09 | 57.4° | 55.0° |
| C04 | C03 | C02 | H021 | 174.8° | 65.0° |
| C03 | C04 | C06 | H061 | 80.2° | 60.0° |
| C03 | C04 | C06 | H062 | 38.3° | 60.0° |
| C04 | C03 | O08 | H081 | 1.4° | 60.0° |
| C04 | C06 | O07 | H061 | 120.7° | 120.0° |
| C04 | C06 | O07 | H062 | 120.8° | 120.0° |
| C06 | C04 | C03 | C02 | 58.6° | 80.1° |
| C06 | C04 | C03 | H031 | 60.1° | 39.9° |
| C04 | C06 | H061 | H062 | 117.6° | 120.0° |
| C04 | C06 | O07 | H071 | 9.7° | 180.0° |
| O07 | C06 | H061 | H062 | 117.7° | 120.0° |
| C01 | C02 | C03 | O09 | 127.7° | 120.0° |
| C01 | C02 | C03 | H021 | 114.9° | 120.0° |
| C01 | C02 | O09 | H021 | 117.2° | 120.0° |
| C02 | C01 | H012 | H011 | 119.5° | 120.0° |
| C01 | C02 | C03 | H031 | 170.8° | 65.0° |
| C01 | C02 | O09 | H091 | 180.0° | 60.0° |
| C03 | C02 | O09 | H021 | 116.3° | 120.0° |
| C03 | C02 | C01 | H012 | 176.4° | 65.0° |
| C03 | C02 | C01 | H011 | 64.0° | 55.0° |
| C02 | C03 | O08 | H081 | 124.3° | 60.0° |
| C03 | C02 | O09 | H091 | 53.5° | 60.0° |
| O09 | C02 | C01 | H012 | 49.4° | 55.0° |
| O09 | C02 | C01 | H011 | 169.0° | 175.0° |
| O09 | C02 | C03 | H031 | 61.5° | 175.0° |
| H012 | C01 | C02 | H021 | 68.8° | 175.0° |
| H011 | C01 | C02 | H021 | 50.8° | 65.0° |
| H021 | C02 | C03 | H031 | 55.9° | 55.0° |
| H021 | C02 | O09 | H091 | 62.8° | 180.0° |
| H031 | C03 | O08 | H081 | 118.4° | 180.0° |
| H061 | C06 | O07 | H071 | 111.1° | 60.0° |
| H062 | C06 | O07 | H071 | 130.4° | 60.0° |
