8WS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C10 | sing | 1.51Å | 1.50Å | |
| N1 | C03 | sing | 1.47Å | 1.46Å | |
| N1 | C10 | sing | 1.35Å | 1.38Å | |
| O1 | C10 | doub | 1.21Å | 1.23Å | |
| C01 | N01 | sing | 1.47Å | 1.45Å | |
| N01 | C02 | sing | 1.35Å | 1.33Å | |
| O01 | C02 | doub | 1.21Å | 1.23Å | |
| C02 | C03 | sing | 1.51Å | 1.53Å | |
| N02 | C07 | sing | 1.47Å | 1.46Å | |
| N02 | C08 | sing | 1.35Å | 1.33Å | |
| O02 | C08 | doub | 1.21Å | 1.23Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C05 | C06 | sing | 1.53Å | 1.51Å | |
| C06 | C07 | sing | 1.53Å | 1.51Å | |
| C08 | C09 | sing | 1.51Å | 1.50Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H01A | sing | 1.09Å | 1.10Å | |
| C01 | H01B | sing | 1.09Å | 1.10Å | |
| N01 | HN01 | sing | 0.97Å | 1.00Å | |
| N02 | HN02 | sing | 0.97Å | 1.00Å | |
| C03 | H03 | sing | 1.09Å | 1.10Å | |
| C04 | H04 | sing | 1.09Å | 1.10Å | |
| C04 | H04A | sing | 1.09Å | 1.10Å | |
| C05 | H05 | sing | 1.09Å | 1.10Å | |
| C05 | H05A | sing | 1.09Å | 1.10Å | |
| C06 | H06 | sing | 1.09Å | 1.10Å | |
| C06 | H06A | sing | 1.09Å | 1.10Å | |
| C07 | H07 | sing | 1.09Å | 1.10Å | |
| C07 | H07A | sing | 1.09Å | 1.10Å | |
| C09 | H09 | sing | 1.09Å | 1.10Å | |
| C09 | H09A | sing | 1.09Å | 1.10Å | |
| C09 | H09B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C10 | N1 | 115.9° | 120.0° |
| C1 | C10 | O1 | 121.9° | 120.0° |
| C10 | C1 | H1 | 109.5° | 109.5° |
| C10 | C1 | H1A | 109.5° | 109.5° |
| C10 | C1 | H1B | 109.5° | 109.5° |
| C03 | N1 | C10 | 122.5° | 120.0° |
| N1 | C03 | C02 | 111.3° | 109.5° |
| N1 | C03 | C04 | 110.2° | 109.5° |
| C03 | N1 | HN1 | 118.7° | 120.0° |
| N1 | C03 | H03 | 108.7° | 109.5° |
| N1 | C10 | O1 | 122.2° | 120.1° |
| C10 | N1 | HN1 | 118.8° | 120.0° |
| C01 | N01 | C02 | 122.1° | 120.0° |
| N01 | C01 | H01 | 109.5° | 109.5° |
| N01 | C01 | H01A | 109.5° | 109.5° |
| N01 | C01 | H01B | 109.5° | 109.4° |
| C01 | N01 | HN01 | 118.9° | 120.0° |
| N01 | C02 | O01 | 123.1° | 120.0° |
| N01 | C02 | C03 | 117.2° | 120.0° |
| C02 | N01 | HN01 | 119.0° | 120.0° |
| O01 | C02 | C03 | 119.7° | 120.0° |
| C02 | C03 | C04 | 110.8° | 109.5° |
| C02 | C03 | H03 | 107.8° | 109.5° |
| C07 | N02 | C08 | 122.4° | 120.0° |
| N02 | C07 | C06 | 112.4° | 109.5° |
| C07 | N02 | HN02 | 118.8° | 120.0° |
| N02 | C07 | H07 | 108.8° | 109.5° |
| N02 | C07 | H07A | 108.7° | 109.5° |
| N02 | C08 | O02 | 121.7° | 120.0° |
| N02 | C08 | C09 | 116.2° | 120.0° |
| C08 | N02 | HN02 | 118.8° | 120.0° |
| O02 | C08 | C09 | 122.1° | 120.0° |
| C03 | C04 | C05 | 113.5° | 109.5° |
| C04 | C03 | H03 | 107.8° | 109.5° |
| C03 | C04 | H04 | 108.4° | 109.5° |
| C03 | C04 | H04A | 108.5° | 109.4° |
| C04 | C05 | C06 | 113.4° | 109.5° |
| C05 | C04 | H04 | 108.5° | 109.5° |
| C05 | C04 | H04A | 108.5° | 109.5° |
| C04 | C05 | H05 | 108.5° | 109.5° |
| C04 | C05 | H05A | 108.5° | 109.5° |
| C05 | C06 | C07 | 113.7° | 109.5° |
| C06 | C05 | H05 | 108.5° | 109.4° |
| C06 | C05 | H05A | 108.5° | 109.5° |
| C05 | C06 | H06 | 108.4° | 109.5° |
| C05 | C06 | H06A | 108.4° | 109.5° |
| C07 | C06 | H06 | 108.4° | 109.4° |
| C07 | C06 | H06A | 108.4° | 109.5° |
| C06 | C07 | H07 | 108.7° | 109.5° |
| C06 | C07 | H07A | 108.7° | 109.4° |
| C08 | C09 | H09 | 109.5° | 109.5° |
| C08 | C09 | H09A | 109.4° | 109.5° |
| C08 | C09 | H09B | 109.5° | 109.5° |
| H1 | C1 | H1A | 109.4° | 109.5° |
| H1 | C1 | H1B | 109.4° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H01 | C01 | H01A | 109.5° | 109.5° |
| H01 | C01 | H01B | 109.5° | 109.5° |
| H01A | C01 | H01B | 109.5° | 109.5° |
| H04 | C04 | H04A | 109.5° | 109.5° |
| H05 | C05 | H05A | 109.5° | 109.5° |
| H06 | C06 | H06A | 109.5° | 109.5° |
| H07 | C07 | H07A | 109.5° | 109.5° |
| H09 | C09 | H09A | 109.5° | 109.5° |
| H09 | C09 | H09B | 109.5° | 109.4° |
| H09A | C09 | H09B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C10 | N1 | C03 | 179.8° | 180.0° |
| C1 | C10 | N1 | O1 | 179.9° | 180.0° |
| C10 | C1 | H1 | H1A | 120.0° | 120.0° |
| C10 | C1 | H1 | H1B | 120.0° | 120.0° |
| C10 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C10 | N1 | HN1 | 0.2° | 0.0° |
| C03 | N1 | C10 | HN1 | 180.0° | 180.0° |
| C03 | N1 | C10 | O1 | 0.3° | 0.0° |
| N1 | C03 | C02 | N01 | 176.8° | 160.0° |
| N1 | C03 | C02 | O01 | 3.6° | 20.0° |
| N1 | C03 | C02 | C04 | 123.0° | 120.0° |
| N1 | C03 | C02 | H03 | 119.2° | 120.0° |
| N1 | C03 | C04 | H03 | 118.6° | 120.0° |
| N1 | C03 | C04 | C05 | 78.9° | 65.0° |
| N1 | C03 | C04 | H04 | 41.6° | 55.0° |
| N1 | C03 | C04 | H04A | 160.4° | 175.0° |
| C10 | N1 | C03 | C02 | 101.2° | 60.0° |
| C10 | N1 | C03 | C04 | 135.5° | 60.0° |
| N1 | C10 | C1 | H1 | 179.8° | 89.9° |
| N1 | C10 | C1 | H1A | 59.9° | 150.0° |
| N1 | C10 | C1 | H1B | 60.2° | 30.0° |
| C10 | N1 | C03 | H03 | 17.5° | 180.0° |
| O1 | C10 | C1 | H1 | 0.0° | 90.0° |
| O1 | C10 | C1 | H1A | 120.0° | 30.0° |
| O1 | C10 | C1 | H1B | 120.0° | 150.0° |
| O1 | C10 | N1 | HN1 | 179.6° | 180.0° |
| C01 | N01 | C02 | HN01 | 180.0° | 179.9° |
| C01 | N01 | C02 | O01 | 0.3° | 0.0° |
| C01 | N01 | C02 | C03 | 179.9° | 180.0° |
| N01 | C01 | H01 | H01A | 120.0° | 120.0° |
| N01 | C01 | H01 | H01B | 120.0° | 120.0° |
| N01 | C01 | H01A | H01B | 120.0° | 120.0° |
| N01 | C02 | O01 | C03 | 179.6° | 180.0° |
| N01 | C02 | C03 | C04 | 53.8° | 80.0° |
| C02 | N01 | C01 | H01 | 180.0° | 60.0° |
| C02 | N01 | C01 | H01A | 60.0° | 60.0° |
| C02 | N01 | C01 | H01B | 60.0° | 180.0° |
| N01 | C02 | C03 | H03 | 64.0° | 40.0° |
| O01 | C02 | C03 | C04 | 126.6° | 100.0° |
| O01 | C02 | N01 | HN01 | 179.6° | 180.0° |
| O01 | C02 | C03 | H03 | 115.6° | 140.0° |
| C02 | C03 | C04 | H03 | 117.8° | 120.0° |
| C02 | C03 | C04 | C05 | 157.4° | 175.0° |
| C02 | C03 | N1 | HN1 | 78.8° | 120.0° |
| C03 | C02 | N01 | HN01 | 0.1° | 0.0° |
| C02 | C03 | C04 | H04 | 82.0° | 65.0° |
| C02 | C03 | C04 | H04A | 36.8° | 55.0° |
| C07 | N02 | C08 | HN02 | 180.0° | 179.9° |
| C07 | N02 | C08 | O02 | 0.5° | 0.0° |
| N02 | C07 | C06 | C05 | 143.2° | 180.0° |
| N02 | C07 | C06 | H07 | 120.5° | 120.0° |
| N02 | C07 | C06 | H07A | 120.4° | 120.0° |
| C07 | N02 | C08 | C09 | 179.9° | 180.0° |
| N02 | C07 | C06 | H06 | 96.1° | 60.0° |
| N02 | C07 | C06 | H06A | 22.6° | 59.9° |
| N02 | C07 | H07 | H07A | 118.7° | 120.0° |
| N02 | C08 | O02 | C09 | 179.5° | 180.0° |
| C08 | N02 | C07 | C06 | 164.9° | 180.0° |
| C08 | N02 | C07 | H07 | 74.6° | 60.0° |
| C08 | N02 | C07 | H07A | 44.5° | 60.1° |
| N02 | C08 | C09 | H09 | 179.6° | 89.9° |
| N02 | C08 | C09 | H09A | 59.6° | 150.0° |
| N02 | C08 | C09 | H09B | 60.4° | 30.0° |
| O02 | C08 | N02 | HN02 | 179.5° | 180.0° |
| O02 | C08 | C09 | H09 | 0.0° | 90.0° |
| O02 | C08 | C09 | H09A | 120.0° | 30.0° |
| O02 | C08 | C09 | H09B | 120.0° | 150.0° |
| C03 | C04 | C05 | H04 | 120.6° | 120.0° |
| C03 | C04 | C05 | H04A | 120.6° | 119.9° |
| C03 | C04 | C05 | C06 | 176.1° | 179.9° |
| C04 | C03 | N1 | HN1 | 44.5° | 120.0° |
| C03 | C04 | H04 | H04A | 118.1° | 120.0° |
| C03 | C04 | C05 | H05 | 55.5° | 60.0° |
| C03 | C04 | C05 | H05A | 63.3° | 60.0° |
| C04 | C05 | C06 | H05 | 120.6° | 120.0° |
| C04 | C05 | C06 | H05A | 120.6° | 120.0° |
| C04 | C05 | C06 | C07 | 151.5° | 180.0° |
| C05 | C04 | C03 | H03 | 39.6° | 55.0° |
| C05 | C04 | H04 | H04A | 118.2° | 120.0° |
| C04 | C05 | H05 | H05A | 118.2° | 120.1° |
| C04 | C05 | C06 | H06 | 30.8° | 60.0° |
| C04 | C05 | C06 | H06A | 87.9° | 60.0° |
| C05 | C06 | C07 | H06 | 120.6° | 120.0° |
| C05 | C06 | C07 | H06A | 120.6° | 120.1° |
| C06 | C05 | C04 | H04 | 63.3° | 60.0° |
| C06 | C05 | C04 | H04A | 55.5° | 60.0° |
| C06 | C05 | H05 | H05A | 118.2° | 120.0° |
| C05 | C06 | H06 | H06A | 118.1° | 120.0° |
| C05 | C06 | C07 | H07 | 96.3° | 60.0° |
| C05 | C06 | C07 | H07A | 22.8° | 60.1° |
| C06 | C07 | N02 | HN02 | 15.1° | 0.1° |
| C07 | C06 | C05 | H05 | 88.0° | 60.0° |
| C07 | C06 | C05 | H05A | 30.9° | 59.9° |
| C07 | C06 | H06 | H06A | 118.1° | 120.0° |
| C06 | C07 | H07 | H07A | 118.7° | 120.0° |
| C09 | C08 | N02 | HN02 | 0.0° | 0.1° |
| C08 | C09 | H09 | H09A | 120.0° | 120.0° |
| C08 | C09 | H09 | H09B | 120.0° | 120.0° |
| C08 | C09 | H09A | H09B | 120.0° | 120.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| HN1 | N1 | C03 | H03 | 162.5° | 0.0° |
| H01 | C01 | H01A | H01B | 120.0° | 120.0° |
| H01 | C01 | N01 | HN01 | 0.0° | 120.0° |
| H01A | C01 | N01 | HN01 | 120.0° | 120.0° |
| H01B | C01 | N01 | HN01 | 120.0° | 0.0° |
| HN02 | N02 | C07 | H07 | 105.4° | 119.9° |
| HN02 | N02 | C07 | H07A | 135.5° | 120.0° |
| H03 | C03 | C04 | H04 | 160.2° | 175.0° |
| H03 | C03 | C04 | H04A | 81.0° | 65.0° |
| H04 | C04 | C05 | H05 | 176.1° | 179.9° |
| H04 | C04 | C05 | H05A | 57.2° | 60.0° |
| H04A | C04 | C05 | H05 | 65.1° | 59.9° |
| H04A | C04 | C05 | H05A | 176.1° | 180.0° |
| H05 | C05 | C06 | H06 | 151.4° | 180.0° |
| H05 | C05 | C06 | H06A | 32.6° | 60.0° |
| H05A | C05 | C06 | H06 | 89.7° | 60.0° |
| H05A | C05 | C06 | H06A | 151.5° | 180.0° |
| H06 | C06 | C07 | H07 | 24.3° | 60.0° |
| H06 | C06 | C07 | H07A | 143.4° | 180.0° |
| H06A | C06 | C07 | H07 | 143.1° | 180.0° |
| H06A | C06 | C07 | H07A | 97.8° | 60.0° |
| H09 | C09 | H09A | H09B | 120.0° | 120.0° |
