P6W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N09 | C07 | sing | 1.35Å | 1.45Å | |
| C07 | O08 | doub | 1.21Å | 1.20Å | |
| C07 | C06 | sing | 1.51Å | 1.51Å | |
| C06 | C01 | sing | 1.53Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C02 | C03 | sing | 1.51Å | 1.53Å | |
| C03 | O04 | doub | 1.21Å | 1.20Å | |
| C03 | N05 | sing | 1.35Å | 1.43Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| N05 | H7 | sing | 0.97Å | 1.00Å | |
| N05 | H8 | sing | 0.97Å | 1.00Å | |
| N09 | H9 | sing | 0.97Å | 1.00Å | |
| N09 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N09 | C07 | O08 | 119.0° | 120.0° |
| N09 | C07 | C06 | 119.3° | 120.0° |
| C07 | N09 | H9 | 120.0° | 120.0° |
| C07 | N09 | H10 | 120.0° | 120.0° |
| O08 | C07 | C06 | 121.6° | 120.0° |
| C07 | C06 | C01 | 109.7° | 109.5° |
| C07 | C06 | H5 | 109.4° | 109.5° |
| C07 | C06 | H6 | 109.4° | 109.5° |
| C06 | C01 | C02 | 107.5° | 109.5° |
| C06 | C01 | H1 | 110.0° | 109.5° |
| C06 | C01 | H2 | 110.0° | 109.5° |
| C01 | C06 | H5 | 109.4° | 109.5° |
| C01 | C06 | H6 | 109.4° | 109.5° |
| C01 | C02 | C03 | 112.8° | 109.5° |
| C02 | C01 | H1 | 109.9° | 109.5° |
| C02 | C01 | H2 | 109.9° | 109.5° |
| C01 | C02 | H3 | 108.6° | 109.5° |
| C01 | C02 | H4 | 108.7° | 109.5° |
| C02 | C03 | O04 | 125.7° | 120.0° |
| C02 | C03 | N05 | 114.5° | 120.0° |
| C03 | C02 | H3 | 108.6° | 109.5° |
| C03 | C02 | H4 | 108.6° | 109.5° |
| O04 | C03 | N05 | 119.8° | 120.0° |
| C03 | N05 | H7 | 120.0° | 120.0° |
| C03 | N05 | H8 | 120.0° | 120.0° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H3 | C02 | H4 | 109.5° | 109.5° |
| H5 | C06 | H6 | 109.5° | 109.5° |
| H7 | N05 | H8 | 120.0° | 120.0° |
| H9 | N09 | H10 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N09 | C07 | O08 | C06 | 176.9° | 180.0° |
| N09 | C07 | C06 | C01 | 161.9° | 180.0° |
| N09 | C07 | C06 | H5 | 41.9° | 60.0° |
| N09 | C07 | C06 | H6 | 78.1° | 60.0° |
| C07 | N09 | H9 | H10 | 180.0° | 180.0° |
| O08 | C07 | C06 | C01 | 15.0° | 0.0° |
| O08 | C07 | C06 | H5 | 135.0° | 120.0° |
| O08 | C07 | C06 | H6 | 105.0° | 120.0° |
| O08 | C07 | N09 | H9 | 0.0° | 0.0° |
| O08 | C07 | N09 | H10 | 180.0° | 180.0° |
| C07 | C06 | C01 | H5 | 120.1° | 120.0° |
| C07 | C06 | C01 | H6 | 120.0° | 120.0° |
| C07 | C06 | C01 | C02 | 81.4° | 180.0° |
| C07 | C06 | C01 | H1 | 158.9° | 60.0° |
| C07 | C06 | C01 | H2 | 38.3° | 60.0° |
| C07 | C06 | H5 | H6 | 119.9° | 120.0° |
| C06 | C07 | N09 | H9 | 177.0° | 180.0° |
| C06 | C07 | N09 | H10 | 3.0° | 0.0° |
| C06 | C01 | C02 | H1 | 119.7° | 120.0° |
| C06 | C01 | C02 | H2 | 119.7° | 120.0° |
| C06 | C01 | C02 | C03 | 86.7° | 180.0° |
| C06 | C01 | H1 | H2 | 120.9° | 120.0° |
| C06 | C01 | C02 | H3 | 152.8° | 60.0° |
| C06 | C01 | C02 | H4 | 33.8° | 60.0° |
| C01 | C06 | H5 | H6 | 119.9° | 120.0° |
| C01 | C02 | C03 | H3 | 120.5° | 120.0° |
| C01 | C02 | C03 | H4 | 120.5° | 120.0° |
| C01 | C02 | C03 | O04 | 25.3° | 0.0° |
| C01 | C02 | C03 | N05 | 154.3° | 180.0° |
| C02 | C01 | H1 | H2 | 120.9° | 120.0° |
| C01 | C02 | H3 | H4 | 118.5° | 120.0° |
| C02 | C01 | C06 | H5 | 38.6° | 60.0° |
| C02 | C01 | C06 | H6 | 158.6° | 60.0° |
| C02 | C03 | O04 | N05 | 179.7° | 180.0° |
| C03 | C02 | C01 | H1 | 33.0° | 60.0° |
| C03 | C02 | C01 | H2 | 153.6° | 60.0° |
| C03 | C02 | H3 | H4 | 118.5° | 120.0° |
| C02 | C03 | N05 | H7 | 179.7° | 0.0° |
| C02 | C03 | N05 | H8 | 0.3° | 180.0° |
| O04 | C03 | C02 | H3 | 145.8° | 120.0° |
| O04 | C03 | C02 | H4 | 95.2° | 120.0° |
| O04 | C03 | N05 | H7 | 0.0° | 180.0° |
| O04 | C03 | N05 | H8 | 180.0° | 0.0° |
| N05 | C03 | C02 | H3 | 33.8° | 60.0° |
| N05 | C03 | C02 | H4 | 85.1° | 60.0° |
| C03 | N05 | H7 | H8 | 180.0° | 180.0° |
| H1 | C01 | C02 | H3 | 87.5° | 60.0° |
| H1 | C01 | C02 | H4 | 153.5° | 180.0° |
| H1 | C01 | C06 | H5 | 81.0° | 180.0° |
| H1 | C01 | C06 | H6 | 38.9° | 60.0° |
| H2 | C01 | C02 | H3 | 33.1° | 180.0° |
| H2 | C01 | C02 | H4 | 85.9° | 60.0° |
| H2 | C01 | C06 | H5 | 158.3° | 60.0° |
| H2 | C01 | C06 | H6 | 81.8° | 180.0° |
