3QP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H01A | sing | 1.09Å | 1.10Å | |
| C01 | H01B | sing | 1.09Å | 1.10Å | |
| C14 | C02 | doub | 1.38Å | 1.41Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.40Å | Aromatic |
| C05 | C03 | doub | 1.40Å | 1.41Å | Aromatic |
| C03 | O04 | sing | 1.36Å | 1.36Å | |
| O04 | HO04 | sing | 0.97Å | 0.95Å | |
| C06 | C05 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C05 | sing | 1.47Å | 1.49Å | |
| C07 | C06 | sing | 1.51Å | 1.56Å | |
| C06 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| O08 | C07 | sing | 1.43Å | 1.41Å | |
| C07 | H07 | sing | 1.09Å | 1.10Å | |
| C07 | H07A | sing | 1.09Å | 1.10Å | |
| P09 | O08 | sing | 1.61Å | 1.58Å | |
| O11 | P09 | doub | 1.48Å | 1.53Å | |
| O10 | P09 | sing | 1.61Å | 1.49Å | |
| P09 | O12 | sing | 1.61Å | 1.47Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å | |
| C13 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | N16 | doub | 1.29Å | 1.36Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | N16 | sing | 1.46Å | 1.46Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C22 | sing | 1.51Å | 1.46Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | C18 | sing | 1.51Å | 1.53Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| O20 | C19 | doub | 1.21Å | 1.25Å | |
| C19 | O21 | sing | 1.34Å | 1.26Å | |
| O21 | HO21 | sing | 0.97Å | 0.95Å | |
| O23 | C22 | doub | 1.21Å | 1.25Å | |
| C22 | O24 | sing | 1.34Å | 1.29Å | |
| O24 | HO24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | H01 | 109.5° | 109.4° |
| C02 | C01 | H01A | 109.4° | 109.5° |
| C02 | C01 | H01B | 109.5° | 109.5° |
| C01 | C02 | C14 | 119.4° | 120.0° |
| C01 | C02 | C03 | 120.7° | 119.9° |
| H01 | C01 | H01A | 109.5° | 109.4° |
| H01 | C01 | H01B | 109.4° | 109.5° |
| H01A | C01 | H01B | 109.5° | 109.5° |
| C14 | C02 | C03 | 119.9° | 120.1° |
| C02 | C14 | C13 | 120.5° | 120.4° |
| C02 | C14 | H14 | 119.8° | 119.8° |
| C02 | C03 | C05 | 119.7° | 119.7° |
| C02 | C03 | O04 | 123.6° | 120.2° |
| C05 | C03 | O04 | 116.7° | 120.1° |
| C03 | C05 | C06 | 120.2° | 119.6° |
| C03 | C05 | C15 | 117.3° | 120.2° |
| C03 | O04 | HO04 | 109.5° | 114.0° |
| C06 | C05 | C15 | 122.5° | 120.2° |
| C05 | C06 | C07 | 118.9° | 120.0° |
| C05 | C06 | C13 | 120.7° | 119.9° |
| C05 | C15 | N16 | 115.8° | 120.0° |
| C05 | C15 | H15 | 122.1° | 120.0° |
| C07 | C06 | C13 | 120.2° | 120.1° |
| C06 | C07 | O08 | 114.8° | 109.4° |
| C06 | C07 | H07 | 107.7° | 109.5° |
| C06 | C07 | H07A | 107.7° | 109.5° |
| C06 | C13 | C14 | 118.9° | 120.3° |
| C06 | C13 | H13 | 120.6° | 119.9° |
| O08 | C07 | H07 | 107.7° | 109.5° |
| O08 | C07 | H07A | 107.7° | 109.5° |
| C07 | O08 | P09 | 120.9° | 123.0° |
| H07 | C07 | H07A | 111.2° | 109.5° |
| O08 | P09 | O11 | 109.8° | 109.5° |
| O08 | P09 | O10 | 109.4° | 109.4° |
| O08 | P09 | O12 | 107.9° | 109.5° |
| O11 | P09 | O10 | 105.2° | 109.5° |
| O11 | P09 | O12 | 109.1° | 109.5° |
| O10 | P09 | O12 | 115.4° | 109.5° |
| P09 | O10 | HO10 | 109.5° | 114.1° |
| P09 | O12 | HO12 | 109.5° | 114.0° |
| C14 | C13 | H13 | 120.5° | 119.8° |
| C13 | C14 | H14 | 119.7° | 119.8° |
| N16 | C15 | H15 | 122.1° | 120.1° |
| C15 | N16 | C17 | 123.0° | 120.0° |
| N16 | C17 | C18 | 115.3° | 109.5° |
| N16 | C17 | C22 | 108.6° | 109.5° |
| N16 | C17 | H17 | 107.8° | 109.5° |
| C18 | C17 | C22 | 114.2° | 109.5° |
| C18 | C17 | H17 | 101.3° | 109.5° |
| C17 | C18 | C19 | 112.0° | 109.4° |
| C17 | C18 | H18 | 108.6° | 109.4° |
| C17 | C18 | H18A | 108.7° | 109.5° |
| C22 | C17 | H17 | 109.2° | 109.5° |
| C17 | C22 | O23 | 120.4° | 120.0° |
| C17 | C22 | O24 | 119.5° | 120.0° |
| C19 | C18 | H18 | 108.6° | 109.5° |
| C19 | C18 | H18A | 108.7° | 109.5° |
| C18 | C19 | O20 | 119.8° | 120.0° |
| C18 | C19 | O21 | 121.7° | 120.0° |
| H18 | C18 | H18A | 110.3° | 109.5° |
| O20 | C19 | O21 | 118.4° | 120.0° |
| C19 | O21 | HO21 | 109.5° | 117.0° |
| O23 | C22 | O24 | 120.0° | 120.0° |
| C22 | O24 | HO24 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | H01 | H01A | 120.0° | 120.0° |
| C02 | C01 | H01 | H01B | 120.0° | 120.0° |
| C02 | C01 | H01A | H01B | 120.0° | 120.0° |
| C01 | C02 | C14 | C03 | 179.6° | 179.6° |
| C01 | C02 | C03 | C05 | 179.4° | 180.0° |
| C01 | C02 | C03 | O04 | 1.4° | 0.1° |
| C01 | C02 | C14 | C13 | 178.1° | 179.7° |
| C01 | C02 | C14 | H14 | 1.8° | 0.4° |
| H01 | C01 | H01A | H01B | 120.0° | 120.1° |
| H01 | C01 | C02 | C14 | 90.2° | 90.3° |
| H01 | C01 | C02 | C03 | 90.2° | 90.1° |
| H01A | C01 | C02 | C14 | 149.8° | 29.7° |
| H01A | C01 | C02 | C03 | 29.8° | 150.0° |
| H01B | C01 | C02 | C14 | 29.8° | 149.7° |
| H01B | C01 | C02 | C03 | 149.8° | 29.9° |
| C14 | C02 | C03 | C05 | 0.2° | 0.4° |
| C14 | C02 | C03 | O04 | 179.0° | 179.7° |
| C02 | C14 | C13 | C06 | 0.5° | 0.6° |
| C02 | C14 | C13 | H14 | 180.0° | 179.4° |
| C02 | C14 | C13 | H13 | 179.5° | 179.7° |
| C02 | C03 | C05 | O04 | 179.2° | 180.0° |
| C02 | C03 | O04 | HO04 | 180.0° | 90.1° |
| C02 | C03 | C05 | C06 | 2.0° | 0.0° |
| C02 | C03 | C05 | C15 | 179.9° | 179.9° |
| C03 | C02 | C14 | C13 | 1.5° | 0.6° |
| C03 | C02 | C14 | H14 | 178.5° | 180.0° |
| C05 | C03 | O04 | HO04 | 0.8° | 90.0° |
| C03 | C05 | C06 | C15 | 177.7° | 180.0° |
| C03 | C05 | C06 | C07 | 178.8° | 180.0° |
| C03 | C05 | C06 | C13 | 3.0° | 0.0° |
| C03 | C05 | C15 | N16 | 52.7° | 0.0° |
| C03 | C05 | C15 | H15 | 127.3° | 180.0° |
| O04 | C03 | C05 | C06 | 178.7° | 180.0° |
| O04 | C03 | C05 | C15 | 0.9° | 0.0° |
| C05 | C06 | C07 | C13 | 175.8° | 180.0° |
| C05 | C06 | C07 | O08 | 88.1° | 180.0° |
| C05 | C06 | C07 | H07 | 151.9° | 60.0° |
| C05 | C06 | C07 | H07A | 31.9° | 60.0° |
| C05 | C06 | C13 | C14 | 1.7° | 0.3° |
| C05 | C06 | C13 | H13 | 178.2° | 180.0° |
| C06 | C05 | C15 | N16 | 125.1° | 180.0° |
| C06 | C05 | C15 | H15 | 54.9° | 0.1° |
| C15 | C05 | C06 | C07 | 3.5° | 0.0° |
| C15 | C05 | C06 | C13 | 179.2° | 180.0° |
| C05 | C15 | N16 | H15 | 180.0° | 180.0° |
| C05 | C15 | N16 | C17 | 176.3° | 180.0° |
| C06 | C07 | O08 | H07 | 120.0° | 120.0° |
| C06 | C07 | O08 | H07A | 120.0° | 120.0° |
| C06 | C07 | H07 | H07A | 117.8° | 120.0° |
| C06 | C07 | O08 | P09 | 168.6° | 179.9° |
| C07 | C06 | C13 | C14 | 177.4° | 179.7° |
| C07 | C06 | C13 | H13 | 2.5° | 0.0° |
| C13 | C06 | C07 | O08 | 87.6° | 0.0° |
| C13 | C06 | C07 | H07 | 32.4° | 120.0° |
| C13 | C06 | C07 | H07A | 152.4° | 120.0° |
| C06 | C13 | C14 | H13 | 180.0° | 179.7° |
| C06 | C13 | C14 | H14 | 179.5° | 180.0° |
| O08 | C07 | H07 | H07A | 117.8° | 120.0° |
| C07 | O08 | P09 | O11 | 36.0° | 54.9° |
| C07 | O08 | P09 | O10 | 78.9° | 65.1° |
| C07 | O08 | P09 | O12 | 154.8° | 175.0° |
| H07 | C07 | O08 | P09 | 48.6° | 60.0° |
| H07A | C07 | O08 | P09 | 71.4° | 60.0° |
| O08 | P09 | O11 | O10 | 117.6° | 120.0° |
| O08 | P09 | O11 | O12 | 118.0° | 120.0° |
| O08 | P09 | O10 | O12 | 121.9° | 120.0° |
| O08 | P09 | O10 | HO10 | 117.8° | 60.0° |
| O08 | P09 | O12 | HO12 | 119.2° | 179.9° |
| O11 | P09 | O10 | O12 | 120.3° | 120.0° |
| O11 | P09 | O10 | HO10 | 0.0° | 180.0° |
| O11 | P09 | O12 | HO12 | 0.0° | 60.0° |
| O10 | P09 | O12 | HO12 | 118.1° | 60.0° |
| O12 | P09 | O10 | HO10 | 120.3° | 59.9° |
| H13 | C13 | C14 | H14 | 0.5° | 0.3° |
| C15 | N16 | C17 | C18 | 64.3° | 120.0° |
| C15 | N16 | C17 | C22 | 166.1° | 120.0° |
| C15 | N16 | C17 | H17 | 48.0° | 0.0° |
| H15 | C15 | N16 | C17 | 3.8° | 0.0° |
| N16 | C17 | C18 | C22 | 126.8° | 120.0° |
| N16 | C17 | C18 | H17 | 116.1° | 120.0° |
| N16 | C17 | C22 | H17 | 117.3° | 120.0° |
| N16 | C17 | C18 | C19 | 57.3° | 65.0° |
| N16 | C17 | C18 | H18 | 177.2° | 55.0° |
| N16 | C17 | C18 | H18A | 62.8° | 175.0° |
| N16 | C17 | C22 | O23 | 179.0° | 0.0° |
| N16 | C17 | C22 | O24 | 0.1° | 180.0° |
| C18 | C17 | C22 | H17 | 112.5° | 120.0° |
| C17 | C18 | C19 | H18 | 120.0° | 120.0° |
| C17 | C18 | C19 | H18A | 120.0° | 120.0° |
| C17 | C18 | H18 | H18A | 119.0° | 120.0° |
| C17 | C18 | C19 | O20 | 143.0° | 0.0° |
| C17 | C18 | C19 | O21 | 34.4° | 179.9° |
| C18 | C17 | C22 | O23 | 48.8° | 120.0° |
| C18 | C17 | C22 | O24 | 130.1° | 60.0° |
| C22 | C17 | C18 | C19 | 69.5° | 175.0° |
| C22 | C17 | C18 | H18 | 50.5° | 65.0° |
| C22 | C17 | C18 | H18A | 170.5° | 55.0° |
| C17 | C22 | O23 | O24 | 178.9° | 180.0° |
| C17 | C22 | O24 | HO24 | 178.9° | 180.0° |
| H17 | C17 | C18 | C19 | 173.3° | 55.0° |
| H17 | C17 | C18 | H18 | 66.7° | 175.0° |
| H17 | C17 | C18 | H18A | 53.3° | 64.9° |
| H17 | C17 | C22 | O23 | 63.7° | 120.0° |
| H17 | C17 | C22 | O24 | 117.4° | 60.0° |
| C19 | C18 | H18 | H18A | 119.0° | 120.0° |
| C18 | C19 | O20 | O21 | 177.5° | 180.0° |
| C18 | C19 | O21 | HO21 | 177.5° | 180.0° |
| H18 | C18 | C19 | O20 | 97.0° | 120.0° |
| H18 | C18 | C19 | O21 | 85.6° | 60.0° |
| H18A | C18 | C19 | O20 | 23.0° | 120.0° |
| H18A | C18 | C19 | O21 | 154.4° | 60.1° |
| O20 | C19 | O21 | HO21 | 0.0° | 0.1° |
| O23 | C22 | O24 | HO24 | 0.0° | 0.0° |
