N46
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | P08 | doub | 1.48Å | 1.51Å | |
| O09 | P08 | sing | 1.61Å | 1.52Å | |
| O11 | P08 | sing | 1.61Å | 1.51Å | |
| P08 | O07 | sing | 1.61Å | 1.65Å | |
| O07 | C06 | sing | 1.43Å | 1.38Å | |
| O05 | C04 | sing | 1.43Å | 1.38Å | |
| C06 | C04 | sing | 1.53Å | 1.53Å | |
| O12 | C03 | doub | 1.21Å | 1.19Å | |
| C04 | C03 | sing | 1.51Å | 1.53Å | |
| C03 | C02 | sing | 1.49Å | 1.53Å | |
| O13 | C02 | doub | 1.21Å | 1.19Å | |
| C02 | C01 | sing | 1.51Å | 1.52Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| O05 | H051 | sing | 0.97Å | 0.95Å | |
| O09 | H1 | sing | 0.97Å | 0.95Å | |
| O11 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | P08 | O09 | 110.4° | 109.4° |
| O10 | P08 | O11 | 109.1° | 109.5° |
| O10 | P08 | O07 | 110.0° | 109.5° |
| O09 | P08 | O11 | 110.9° | 109.4° |
| O09 | P08 | O07 | 110.6° | 109.5° |
| P08 | O09 | H1 | 109.5° | 114.0° |
| O11 | P08 | O07 | 105.8° | 109.5° |
| P08 | O11 | H2 | 109.5° | 114.0° |
| P08 | O07 | C06 | 118.7° | 123.0° |
| O07 | C06 | C04 | 107.6° | 109.5° |
| O07 | C06 | H061 | 109.9° | 109.5° |
| O07 | C06 | H062 | 109.9° | 109.5° |
| O05 | C04 | C06 | 114.1° | 109.5° |
| O05 | C04 | C03 | 109.6° | 109.5° |
| O05 | C04 | H041 | 111.5° | 109.5° |
| C04 | O05 | H051 | 109.5° | 114.0° |
| C06 | C04 | C03 | 102.6° | 109.5° |
| C06 | C04 | H041 | 109.3° | 109.5° |
| C04 | C06 | H061 | 110.0° | 109.5° |
| C04 | C06 | H062 | 109.9° | 109.5° |
| O12 | C03 | C04 | 120.7° | 120.0° |
| O12 | C03 | C02 | 122.0° | 120.0° |
| C04 | C03 | C02 | 117.2° | 120.0° |
| C03 | C04 | H041 | 109.3° | 109.5° |
| C03 | C02 | O13 | 121.4° | 120.0° |
| C03 | C02 | C01 | 117.7° | 120.0° |
| O13 | C02 | C01 | 120.8° | 120.0° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.4° | 109.5° |
| H011 | C01 | H012 | 109.4° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H061 | C06 | H062 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | P08 | O09 | O11 | 121.1° | 119.9° |
| O10 | P08 | O09 | O07 | 121.9° | 120.0° |
| O10 | P08 | O11 | O07 | 118.3° | 120.1° |
| O10 | P08 | O07 | C06 | 72.1° | 55.0° |
| O10 | P08 | O09 | H1 | 0.0° | 60.0° |
| O10 | P08 | O11 | H2 | 0.0° | 180.0° |
| O09 | P08 | O11 | O07 | 119.9° | 120.0° |
| O09 | P08 | O07 | C06 | 50.1° | 175.0° |
| O09 | P08 | O11 | H2 | 121.8° | 60.1° |
| O11 | P08 | O07 | C06 | 170.2° | 65.0° |
| O11 | P08 | O09 | H1 | 121.0° | 59.9° |
| P08 | O07 | C06 | C04 | 126.2° | 180.0° |
| P08 | O07 | C06 | H061 | 6.5° | 60.0° |
| P08 | O07 | C06 | H062 | 114.1° | 60.0° |
| O07 | P08 | O09 | H1 | 122.0° | 180.0° |
| O07 | P08 | O11 | H2 | 118.3° | 59.9° |
| O07 | C06 | C04 | O05 | 55.2° | 65.0° |
| O07 | C06 | C04 | H061 | 119.7° | 120.0° |
| O07 | C06 | C04 | H062 | 119.7° | 120.0° |
| O07 | C06 | C04 | C03 | 173.6° | 175.0° |
| O07 | C06 | C04 | H041 | 70.4° | 55.0° |
| O07 | C06 | H061 | H062 | 120.8° | 120.0° |
| O05 | C04 | C06 | C03 | 118.5° | 120.0° |
| O05 | C04 | C06 | H041 | 125.6° | 120.0° |
| O05 | C04 | C03 | O12 | 1.0° | 20.0° |
| O05 | C04 | C03 | H041 | 122.4° | 120.0° |
| O05 | C04 | C03 | C02 | 178.1° | 160.0° |
| O05 | C04 | C06 | H061 | 64.5° | 175.0° |
| O05 | C04 | C06 | H062 | 174.9° | 55.0° |
| C06 | C04 | C03 | O12 | 120.6° | 99.9° |
| C06 | C04 | C03 | H041 | 116.0° | 120.0° |
| C06 | C04 | C03 | C02 | 56.5° | 80.0° |
| C04 | C06 | H061 | H062 | 120.9° | 120.0° |
| C06 | C04 | O05 | H051 | 114.0° | 60.0° |
| O12 | C03 | C04 | C02 | 177.1° | 179.9° |
| O12 | C03 | C02 | O13 | 73.4° | 180.0° |
| O12 | C03 | C02 | C01 | 108.7° | 0.1° |
| O12 | C03 | C04 | H041 | 123.4° | 140.0° |
| C04 | C03 | C02 | O13 | 103.7° | 0.1° |
| C04 | C03 | C02 | C01 | 74.2° | 180.0° |
| C03 | C04 | C06 | H061 | 53.9° | 55.0° |
| C03 | C04 | C06 | H062 | 66.7° | 65.0° |
| C03 | C04 | O05 | H051 | 0.4° | 60.0° |
| C03 | C02 | O13 | C01 | 177.9° | 179.9° |
| C03 | C02 | C01 | H011 | 177.9° | 90.0° |
| C03 | C02 | C01 | H012 | 57.9° | 150.0° |
| C03 | C02 | C01 | H013 | 62.1° | 29.9° |
| C02 | C03 | C04 | H041 | 59.4° | 40.1° |
| O13 | C02 | C01 | H011 | 0.0° | 90.0° |
| O13 | C02 | C01 | H012 | 120.0° | 29.9° |
| O13 | C02 | C01 | H013 | 120.0° | 150.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H041 | C04 | C06 | H061 | 169.9° | 65.0° |
| H041 | C04 | C06 | H062 | 49.3° | 175.0° |
| H041 | C04 | O05 | H051 | 121.6° | 180.0° |
