WND
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | C02 | sing | 1.43Å | 1.40Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C05 | C02 | sing | 1.53Å | 1.54Å | |
| C05 | N06 | sing | 1.47Å | 1.46Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| N06 | C07 | sing | 1.47Å | 1.46Å | |
| C07 | C08 | sing | 1.53Å | 1.47Å | |
| C07 | C12 | sing | 1.53Å | 1.47Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C09 | O10 | sing | 1.43Å | 1.46Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | O10 | sing | 1.43Å | 1.46Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| N06 | H18 | sing | 1.01Å | 1.00Å | |
| O04 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | C02 | C01 | 106.0° | 109.4° |
| O04 | C02 | C05 | 111.7° | 109.5° |
| O04 | C02 | C03 | 107.1° | 109.5° |
| C02 | O04 | H20 | 109.5° | 114.0° |
| C01 | C02 | C05 | 113.0° | 109.5° |
| C01 | C02 | C03 | 111.6° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C05 | N06 | 111.4° | 109.4° |
| C05 | C02 | C03 | 107.3° | 109.5° |
| C02 | C05 | H7 | 109.0° | 109.5° |
| C02 | C05 | H8 | 109.0° | 109.5° |
| C05 | N06 | C07 | 116.9° | 111.0° |
| N06 | C05 | H7 | 109.0° | 109.5° |
| N06 | C05 | H8 | 109.0° | 109.5° |
| C05 | N06 | H18 | 107.6° | 111.0° |
| C02 | C03 | H4 | 109.5° | 109.5° |
| C02 | C03 | H5 | 109.5° | 109.5° |
| C02 | C03 | H6 | 109.5° | 109.5° |
| N06 | C07 | C08 | 106.3° | 109.5° |
| N06 | C07 | C12 | 111.9° | 109.5° |
| N06 | C07 | H9 | 109.1° | 109.6° |
| C07 | N06 | H18 | 107.6° | 111.0° |
| C08 | C07 | C12 | 111.4° | 109.0° |
| C07 | C08 | C09 | 114.1° | 109.2° |
| C08 | C07 | H9 | 109.0° | 109.6° |
| C07 | C08 | H10 | 108.3° | 109.5° |
| C07 | C08 | H11 | 108.3° | 109.5° |
| C07 | C12 | C11 | 110.1° | 109.1° |
| C12 | C07 | H9 | 109.0° | 109.6° |
| C07 | C12 | H16 | 109.3° | 109.6° |
| C07 | C12 | H17 | 109.3° | 109.5° |
| C08 | C09 | O10 | 116.1° | 109.4° |
| C09 | C08 | H10 | 108.3° | 109.5° |
| C09 | C08 | H11 | 108.3° | 109.5° |
| C08 | C09 | H12 | 107.8° | 109.5° |
| C08 | C09 | H13 | 107.8° | 109.5° |
| C09 | O10 | C11 | 116.8° | 114.1° |
| O10 | C09 | H12 | 107.8° | 109.4° |
| O10 | C09 | H13 | 107.8° | 109.5° |
| C12 | C11 | O10 | 111.4° | 109.4° |
| C12 | C11 | H14 | 109.0° | 109.4° |
| C12 | C11 | H15 | 109.0° | 109.5° |
| C11 | C12 | H16 | 109.3° | 109.5° |
| C11 | C12 | H17 | 109.3° | 109.5° |
| O10 | C11 | H14 | 109.0° | 109.4° |
| O10 | C11 | H15 | 108.9° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H4 | C03 | H5 | 109.5° | 109.5° |
| H4 | C03 | H6 | 109.5° | 109.4° |
| H5 | C03 | H6 | 109.4° | 109.4° |
| H7 | C05 | H8 | 109.4° | 109.5° |
| H10 | C08 | H11 | 109.4° | 109.6° |
| H12 | C09 | H13 | 109.4° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | C02 | C01 | C05 | 122.7° | 120.0° |
| O04 | C02 | C01 | C03 | 116.2° | 120.0° |
| O04 | C02 | C05 | C03 | 117.1° | 120.0° |
| O04 | C02 | C05 | N06 | 177.9° | 65.0° |
| O04 | C02 | C01 | H1 | 180.0° | 60.0° |
| O04 | C02 | C01 | H2 | 60.0° | 60.0° |
| O04 | C02 | C01 | H3 | 60.0° | 180.0° |
| O04 | C02 | C03 | H4 | 180.0° | 180.0° |
| O04 | C02 | C03 | H5 | 60.0° | 60.0° |
| O04 | C02 | C03 | H6 | 60.0° | 60.0° |
| O04 | C02 | C05 | H7 | 61.8° | 175.0° |
| O04 | C02 | C05 | H8 | 57.6° | 55.0° |
| C01 | C02 | C05 | C03 | 123.5° | 120.0° |
| C01 | C02 | C05 | N06 | 58.4° | 175.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H4 | 64.4° | 60.0° |
| C01 | C02 | C03 | H5 | 55.6° | 180.0° |
| C01 | C02 | C03 | H6 | 175.6° | 60.0° |
| C01 | C02 | C05 | H7 | 178.7° | 55.0° |
| C01 | C02 | C05 | H8 | 61.9° | 65.0° |
| C01 | C02 | O04 | H20 | 180.0° | 60.1° |
| C02 | C05 | N06 | H7 | 120.3° | 120.0° |
| C02 | C05 | N06 | H8 | 120.3° | 120.0° |
| C02 | C05 | N06 | C07 | 141.2° | 180.0° |
| C05 | C02 | C01 | H1 | 57.3° | 180.0° |
| C05 | C02 | C01 | H2 | 62.7° | 60.0° |
| C05 | C02 | C01 | H3 | 177.3° | 60.0° |
| C05 | C02 | C03 | H4 | 59.9° | 60.0° |
| C05 | C02 | C03 | H5 | 179.9° | 60.0° |
| C05 | C02 | C03 | H6 | 60.1° | 180.0° |
| C02 | C05 | H7 | H8 | 119.1° | 120.0° |
| C02 | C05 | N06 | H18 | 97.7° | 56.1° |
| C05 | C02 | O04 | H20 | 56.5° | 59.9° |
| N06 | C05 | C02 | C03 | 65.1° | 55.0° |
| C05 | N06 | C07 | H18 | 121.1° | 123.9° |
| C05 | N06 | C07 | C08 | 158.2° | 155.0° |
| C05 | N06 | C07 | C12 | 80.0° | 85.5° |
| N06 | C05 | H7 | H8 | 119.1° | 120.0° |
| C05 | N06 | C07 | H9 | 40.7° | 34.8° |
| C03 | C02 | C01 | H1 | 63.8° | 60.0° |
| C03 | C02 | C01 | H2 | 176.2° | 180.0° |
| C03 | C02 | C01 | H3 | 56.2° | 60.0° |
| C02 | C03 | H4 | H5 | 120.0° | 120.1° |
| C02 | C03 | H4 | H6 | 120.0° | 120.0° |
| C02 | C03 | H5 | H6 | 120.0° | 120.0° |
| C03 | C02 | C05 | H7 | 55.2° | 65.0° |
| C03 | C02 | C05 | H8 | 174.6° | 175.0° |
| C03 | C02 | O04 | H20 | 60.7° | 179.9° |
| N06 | C07 | C08 | C12 | 122.2° | 119.8° |
| N06 | C07 | C08 | H9 | 117.5° | 120.3° |
| N06 | C07 | C12 | H9 | 120.8° | 120.2° |
| N06 | C07 | C08 | C09 | 171.7° | 176.8° |
| N06 | C07 | C12 | C11 | 179.8° | 176.9° |
| C07 | N06 | C05 | H7 | 20.9° | 60.0° |
| C07 | N06 | C05 | H8 | 98.4° | 60.0° |
| N06 | C07 | C08 | H10 | 67.6° | 63.3° |
| N06 | C07 | C08 | H11 | 51.0° | 56.9° |
| N06 | C07 | C12 | H16 | 59.8° | 56.9° |
| N06 | C07 | C12 | H17 | 60.1° | 63.3° |
| C08 | C07 | C12 | H9 | 120.3° | 119.9° |
| C07 | C08 | C09 | H10 | 120.7° | 119.9° |
| C07 | C08 | C09 | H11 | 120.7° | 119.9° |
| C07 | C08 | C09 | O10 | 35.3° | 57.6° |
| C08 | C07 | C12 | C11 | 60.9° | 57.0° |
| C07 | C08 | H10 | H11 | 117.9° | 120.2° |
| C07 | C08 | C09 | H12 | 85.6° | 62.3° |
| C07 | C08 | C09 | H13 | 156.3° | 177.6° |
| C08 | C07 | C12 | H16 | 59.2° | 62.9° |
| C08 | C07 | C12 | H17 | 179.0° | 176.9° |
| C08 | C07 | N06 | H18 | 37.1° | 31.1° |
| C12 | C07 | C08 | C09 | 49.5° | 57.0° |
| C07 | C12 | C11 | H16 | 120.1° | 119.9° |
| C07 | C12 | C11 | H17 | 120.1° | 119.9° |
| C07 | C12 | C11 | O10 | 57.9° | 57.7° |
| C12 | C07 | C08 | H10 | 170.2° | 176.9° |
| C12 | C07 | C08 | H11 | 71.2° | 62.9° |
| C07 | C12 | C11 | H14 | 178.2° | 177.6° |
| C07 | C12 | C11 | H15 | 62.3° | 62.4° |
| C07 | C12 | H16 | H17 | 119.7° | 120.1° |
| C12 | C07 | N06 | H18 | 159.0° | 150.6° |
| C08 | C09 | O10 | H12 | 121.0° | 119.9° |
| C08 | C09 | O10 | H13 | 121.0° | 120.0° |
| C08 | C09 | O10 | C11 | 33.5° | 61.1° |
| C09 | C08 | C07 | H9 | 70.8° | 62.9° |
| C09 | C08 | H10 | H11 | 117.9° | 120.1° |
| C08 | C09 | H12 | H13 | 117.0° | 120.0° |
| C09 | O10 | C11 | C12 | 44.5° | 61.2° |
| O10 | C09 | C08 | H10 | 156.0° | 177.5° |
| O10 | C09 | C08 | H11 | 85.4° | 62.3° |
| O10 | C09 | H12 | H13 | 116.9° | 120.1° |
| C09 | O10 | C11 | H14 | 164.8° | 178.9° |
| C09 | O10 | C11 | H15 | 75.8° | 58.9° |
| C12 | C11 | O10 | H14 | 120.3° | 119.9° |
| C12 | C11 | O10 | H15 | 120.3° | 120.1° |
| C11 | C12 | C07 | H9 | 59.4° | 62.9° |
| C12 | C11 | H14 | H15 | 119.1° | 120.1° |
| C11 | C12 | H16 | H17 | 119.7° | 120.2° |
| C11 | O10 | C09 | H12 | 87.4° | 58.8° |
| C11 | O10 | C09 | H13 | 154.5° | 178.8° |
| O10 | C11 | H14 | H15 | 119.1° | 120.0° |
| O10 | C11 | C12 | H16 | 62.2° | 62.3° |
| O10 | C11 | C12 | H17 | 178.0° | 177.5° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C03 | H5 | H6 | 120.0° | 119.9° |
| H7 | C05 | N06 | H18 | 142.0° | 176.0° |
| H8 | C05 | N06 | H18 | 22.6° | 63.9° |
| H9 | C07 | C08 | H10 | 49.9° | 57.0° |
| H9 | C07 | C08 | H11 | 168.5° | 177.2° |
| H9 | C07 | C12 | H16 | 179.5° | 177.2° |
| H9 | C07 | C12 | H17 | 60.7° | 57.0° |
| H9 | C07 | N06 | H18 | 80.4° | 89.2° |
| H10 | C08 | C09 | H12 | 35.1° | 57.6° |
| H10 | C08 | C09 | H13 | 83.0° | 62.5° |
| H11 | C08 | C09 | H12 | 153.7° | 177.7° |
| H11 | C08 | C09 | H13 | 35.6° | 57.7° |
| H14 | C11 | C12 | H16 | 58.1° | 57.6° |
| H14 | C11 | C12 | H17 | 61.7° | 62.6° |
| H15 | C11 | C12 | H16 | 177.6° | 177.7° |
| H15 | C11 | C12 | H17 | 57.8° | 57.5° |
