WHT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | C03 | doub | 1.21Å | 1.27Å | |
| O05 | C03 | sing | 1.34Å | 1.26Å | |
| C03 | C02 | sing | 1.51Å | 1.57Å | |
| N06 | C02 | sing | 1.47Å | 1.46Å | |
| C02 | C01 | sing | 1.53Å | 1.57Å | |
| P07 | C01 | sing | 1.82Å | 1.91Å | |
| O08 | P07 | doub | 1.48Å | 1.52Å | |
| O09 | P07 | sing | 1.61Å | 1.53Å | |
| O10 | P07 | sing | 1.61Å | 1.52Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| N06 | H061 | sing | 1.01Å | 1.00Å | |
| N06 | H062 | sing | 1.01Å | 1.00Å | |
| O05 | H2 | sing | 0.97Å | 0.95Å | |
| O09 | H3 | sing | 0.97Å | 0.95Å | |
| O10 | H4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | C03 | O05 | 116.4° | 120.0° |
| O04 | C03 | C02 | 122.0° | 120.0° |
| O05 | C03 | C02 | 121.7° | 120.0° |
| C03 | O05 | H2 | 109.5° | 117.0° |
| C03 | C02 | N06 | 109.7° | 109.5° |
| C03 | C02 | C01 | 119.3° | 109.5° |
| C03 | C02 | H021 | 104.2° | 109.5° |
| N06 | C02 | C01 | 112.7° | 109.5° |
| N06 | C02 | H021 | 105.3° | 109.5° |
| C02 | N06 | H061 | 109.5° | 111.0° |
| C02 | N06 | H062 | 109.4° | 111.0° |
| C02 | C01 | P07 | 121.5° | 109.5° |
| C02 | C01 | H012 | 106.4° | 109.5° |
| C02 | C01 | H011 | 106.4° | 109.5° |
| C01 | C02 | H021 | 104.1° | 109.5° |
| C01 | P07 | O08 | 111.2° | 109.5° |
| C01 | P07 | O09 | 107.5° | 109.4° |
| C01 | P07 | O10 | 117.1° | 109.5° |
| P07 | C01 | H012 | 106.4° | 109.5° |
| P07 | C01 | H011 | 106.4° | 109.4° |
| O08 | P07 | O09 | 107.9° | 109.5° |
| O08 | P07 | O10 | 103.7° | 109.5° |
| O09 | P07 | O10 | 109.1° | 109.5° |
| P07 | O09 | H3 | 109.5° | 114.0° |
| P07 | O10 | H4 | 109.5° | 114.0° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H061 | N06 | H062 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | C03 | O05 | C02 | 178.4° | 180.0° |
| O04 | C03 | C02 | N06 | 19.2° | 20.0° |
| O04 | C03 | C02 | C01 | 151.3° | 100.0° |
| O04 | C03 | C02 | H021 | 93.1° | 140.0° |
| O04 | C03 | O05 | H2 | 0.0° | 0.1° |
| O05 | C03 | C02 | N06 | 162.5° | 160.0° |
| O05 | C03 | C02 | C01 | 30.3° | 80.0° |
| O05 | C03 | C02 | H021 | 85.2° | 40.0° |
| C03 | C02 | N06 | C01 | 135.5° | 120.0° |
| C03 | C02 | N06 | H021 | 111.6° | 120.0° |
| C03 | C02 | C01 | H021 | 115.6° | 120.0° |
| C03 | C02 | C01 | P07 | 147.1° | 175.0° |
| C03 | C02 | C01 | H012 | 25.4° | 65.0° |
| C03 | C02 | C01 | H011 | 91.3° | 55.0° |
| C03 | C02 | N06 | H061 | 180.0° | 60.0° |
| C03 | C02 | N06 | H062 | 60.0° | 176.0° |
| C02 | C03 | O05 | H2 | 178.4° | 179.9° |
| N06 | C02 | C01 | H021 | 113.6° | 120.0° |
| N06 | C02 | C01 | P07 | 16.2° | 65.0° |
| N06 | C02 | C01 | H012 | 105.4° | 55.0° |
| N06 | C02 | C01 | H011 | 137.9° | 175.1° |
| C02 | N06 | H061 | H062 | 120.0° | 124.0° |
| C02 | C01 | P07 | H012 | 121.7° | 120.0° |
| C02 | C01 | P07 | H011 | 121.7° | 120.0° |
| C02 | C01 | P07 | O08 | 6.9° | 55.0° |
| C02 | C01 | P07 | O09 | 111.0° | 65.0° |
| C02 | C01 | P07 | O10 | 125.8° | 175.0° |
| C02 | C01 | H012 | H011 | 114.5° | 120.0° |
| C01 | C02 | N06 | H061 | 44.5° | 60.0° |
| C01 | C02 | N06 | H062 | 164.5° | 64.0° |
| C01 | P07 | O08 | O09 | 117.6° | 120.0° |
| C01 | P07 | O08 | O10 | 126.7° | 120.0° |
| C01 | P07 | O09 | O10 | 127.9° | 120.0° |
| P07 | C01 | H012 | H011 | 114.6° | 120.0° |
| P07 | C01 | C02 | H021 | 97.4° | 55.0° |
| C01 | P07 | O09 | H3 | 120.1° | 60.0° |
| C01 | P07 | O10 | H4 | 122.9° | 180.0° |
| O08 | P07 | O09 | O10 | 112.0° | 120.0° |
| O08 | P07 | C01 | H012 | 128.6° | 175.0° |
| O08 | P07 | C01 | H011 | 114.8° | 65.0° |
| O08 | P07 | O09 | H3 | 0.0° | 180.0° |
| O08 | P07 | O10 | H4 | 0.0° | 60.0° |
| O09 | P07 | C01 | H012 | 10.7° | 55.0° |
| O09 | P07 | C01 | H011 | 127.3° | 175.0° |
| O09 | P07 | O10 | H4 | 114.8° | 60.0° |
| O10 | P07 | C01 | H012 | 112.5° | 65.0° |
| O10 | P07 | C01 | H011 | 4.2° | 55.0° |
| O10 | P07 | O09 | H3 | 112.0° | 59.9° |
| H012 | C01 | C02 | H021 | 141.0° | 175.0° |
| H011 | C01 | C02 | H021 | 24.3° | 64.9° |
| H021 | C02 | N06 | H061 | 68.4° | 180.0° |
| H021 | C02 | N06 | H062 | 51.6° | 56.0° |
