DP8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | sing | 1.47Å | 1.45Å | |
| N | C14 | sing | 1.47Å | 1.45Å | |
| N | C15 | sing | 1.47Å | 1.43Å | |
| O | C10 | sing | 1.36Å | 1.43Å | |
| O | C13 | sing | 1.43Å | 1.42Å | |
| C01 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| O01 | C05 | sing | 1.36Å | 1.40Å | |
| O01 | C07 | sing | 1.36Å | 1.42Å | |
| C02 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.38Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C07 | C08 | doub | 1.39Å | 1.38Å | Aromatic |
| C07 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.36Å | Aromatic |
| C09 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | HA | sing | 1.09Å | 1.10Å | |
| C | HB | sing | 1.09Å | 1.10Å | |
| C01 | H01 | sing | 1.08Å | 1.08Å | |
| C02 | H02 | sing | 1.08Å | 1.08Å | |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C08 | H08 | sing | 1.08Å | 1.08Å | |
| C09 | H09 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | C14 | 108.9° | 111.0° |
| C | N | C15 | 107.1° | 111.0° |
| N | C | H | 109.5° | 109.5° |
| N | C | HA | 109.4° | 109.5° |
| N | C | HB | 109.5° | 109.5° |
| C14 | N | C15 | 111.6° | 111.1° |
| N | C14 | C13 | 113.1° | 109.5° |
| N | C14 | H14 | 108.6° | 109.5° |
| N | C14 | H14A | 108.5° | 109.4° |
| N | C15 | H15 | 109.5° | 109.5° |
| N | C15 | H15A | 109.5° | 109.4° |
| N | C15 | H15B | 109.5° | 109.5° |
| C10 | O | C13 | 118.0° | 117.0° |
| O | C10 | C09 | 117.3° | 120.0° |
| O | C10 | C11 | 122.1° | 120.0° |
| O | C13 | C14 | 105.6° | 109.4° |
| O | C13 | H13 | 110.5° | 109.5° |
| O | C13 | H13A | 110.5° | 109.5° |
| C02 | C01 | C06 | 119.7° | 120.1° |
| C01 | C02 | C03 | 120.0° | 120.1° |
| C02 | C01 | H01 | 120.1° | 120.0° |
| C01 | C02 | H02 | 120.0° | 119.9° |
| C01 | C06 | C05 | 119.7° | 120.0° |
| C06 | C01 | H01 | 120.2° | 120.0° |
| C01 | C06 | H06 | 120.1° | 120.1° |
| C05 | O01 | C07 | 118.4° | 118.0° |
| O01 | C05 | C04 | 118.4° | 120.0° |
| O01 | C05 | C06 | 121.3° | 120.1° |
| O01 | C07 | C08 | 119.2° | 120.0° |
| O01 | C07 | C12 | 119.7° | 120.0° |
| C02 | C03 | C04 | 120.2° | 120.1° |
| C03 | C02 | H02 | 120.0° | 120.0° |
| C02 | C03 | H03 | 119.8° | 119.9° |
| C03 | C04 | C05 | 120.1° | 119.9° |
| C04 | C03 | H03 | 119.9° | 120.0° |
| C03 | C04 | H04 | 120.0° | 120.0° |
| C04 | C05 | C06 | 120.3° | 119.9° |
| C05 | C04 | H04 | 120.0° | 120.1° |
| C05 | C06 | H06 | 120.1° | 120.0° |
| C08 | C07 | C12 | 121.0° | 120.0° |
| C07 | C08 | C09 | 119.3° | 120.0° |
| C07 | C08 | H08 | 120.3° | 120.0° |
| C07 | C12 | C11 | 119.9° | 120.0° |
| C07 | C12 | H12 | 120.1° | 120.0° |
| C08 | C09 | C10 | 120.2° | 120.0° |
| C09 | C08 | H08 | 120.4° | 120.0° |
| C08 | C09 | H09 | 119.9° | 120.0° |
| C09 | C10 | C11 | 120.6° | 120.0° |
| C10 | C09 | H09 | 119.9° | 120.0° |
| C10 | C11 | C12 | 119.1° | 120.0° |
| C10 | C11 | H11 | 120.5° | 120.0° |
| C12 | C11 | H11 | 120.5° | 120.0° |
| C11 | C12 | H12 | 120.0° | 120.0° |
| C14 | C13 | H13 | 110.4° | 109.5° |
| C14 | C13 | H13A | 110.4° | 109.5° |
| C13 | C14 | H14 | 108.5° | 109.5° |
| C13 | C14 | H14A | 108.6° | 109.5° |
| H | C | HA | 109.5° | 109.5° |
| H | C | HB | 109.4° | 109.5° |
| HA | C | HB | 109.5° | 109.4° |
| H13 | C13 | H13A | 109.5° | 109.5° |
| H14 | C14 | H14A | 109.5° | 109.5° |
| H15 | C15 | H15A | 109.5° | 109.4° |
| H15 | C15 | H15B | 109.4° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | C14 | C15 | 118.0° | 124.0° |
| C | N | C14 | C13 | 175.7° | 163.5° |
| N | C | H | HA | 120.0° | 120.1° |
| N | C | H | HB | 120.0° | 120.0° |
| N | C | HA | HB | 120.0° | 120.0° |
| C | N | C14 | H14 | 55.2° | 43.5° |
| C | N | C14 | H14A | 63.8° | 76.5° |
| C | N | C15 | H15 | 180.0° | 56.1° |
| C | N | C15 | H15A | 60.0° | 176.0° |
| C | N | C15 | H15B | 60.0° | 64.0° |
| N | C14 | C13 | O | 44.3° | 62.6° |
| N | C14 | C13 | H14 | 120.5° | 120.1° |
| N | C14 | C13 | H14A | 120.5° | 119.9° |
| C14 | N | C | H | 180.0° | 55.1° |
| C14 | N | C | HA | 60.0° | 175.1° |
| C14 | N | C | HB | 60.0° | 64.9° |
| N | C14 | C13 | H13 | 163.7° | 57.4° |
| N | C14 | C13 | H13A | 75.1° | 177.4° |
| N | C14 | H14 | H14A | 118.3° | 119.9° |
| C14 | N | C15 | H15 | 60.9° | 180.0° |
| C14 | N | C15 | H15A | 179.1° | 60.0° |
| C14 | N | C15 | H15B | 59.1° | 60.0° |
| C15 | N | C14 | C13 | 57.7° | 72.5° |
| C15 | N | C | H | 59.2° | 179.1° |
| C15 | N | C | HA | 179.2° | 60.9° |
| C15 | N | C | HB | 60.7° | 59.1° |
| C15 | N | C14 | H14 | 62.8° | 167.5° |
| C15 | N | C14 | H14A | 178.3° | 47.5° |
| N | C15 | H15 | H15A | 120.0° | 120.0° |
| N | C15 | H15 | H15B | 120.0° | 120.0° |
| N | C15 | H15A | H15B | 120.0° | 120.0° |
| O | C10 | C09 | C08 | 179.6° | 180.0° |
| O | C10 | C09 | C11 | 178.7° | 180.0° |
| O | C10 | C11 | C12 | 179.3° | 179.8° |
| C10 | O | C13 | C14 | 173.8° | 180.0° |
| O | C10 | C09 | H09 | 0.4° | 0.0° |
| O | C10 | C11 | H11 | 0.7° | 0.0° |
| C10 | O | C13 | H13 | 66.8° | 60.0° |
| C10 | O | C13 | H13A | 54.4° | 60.1° |
| C13 | O | C10 | C09 | 149.4° | 180.0° |
| C13 | O | C10 | C11 | 32.0° | 0.1° |
| O | C13 | C14 | H13 | 119.4° | 120.0° |
| O | C13 | C14 | H13A | 119.4° | 119.9° |
| O | C13 | H13 | H13A | 121.9° | 120.0° |
| O | C13 | C14 | H14 | 164.8° | 57.4° |
| O | C13 | C14 | H14A | 76.2° | 177.5° |
| C02 | C01 | C06 | H01 | 180.0° | 179.8° |
| C01 | C02 | C03 | H02 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.0° | 0.0° |
| C02 | C01 | C06 | C05 | 0.1° | 0.1° |
| C01 | C02 | C03 | H03 | 180.0° | 180.0° |
| C02 | C01 | C06 | H06 | 179.9° | 180.0° |
| C01 | C06 | C05 | O01 | 177.8° | 180.0° |
| C06 | C01 | C02 | C03 | 0.2° | 0.1° |
| C01 | C06 | C05 | C04 | 0.2° | 0.1° |
| C01 | C06 | C05 | H06 | 180.0° | 179.9° |
| C06 | C01 | C02 | H02 | 179.8° | 180.0° |
| O01 | C05 | C04 | C03 | 178.0° | 180.0° |
| O01 | C05 | C04 | C06 | 177.7° | 179.9° |
| C05 | O01 | C07 | C08 | 75.2° | 71.5° |
| C05 | O01 | C07 | C12 | 108.0° | 108.9° |
| O01 | C05 | C04 | H04 | 2.0° | 0.1° |
| O01 | C05 | C06 | H06 | 2.2° | 0.1° |
| C07 | O01 | C05 | C04 | 124.5° | 1.6° |
| C07 | O01 | C05 | C06 | 57.8° | 178.5° |
| O01 | C07 | C08 | C12 | 176.8° | 179.6° |
| O01 | C07 | C08 | C09 | 177.3° | 180.0° |
| O01 | C07 | C12 | C11 | 178.2° | 179.8° |
| O01 | C07 | C08 | H08 | 2.7° | 0.1° |
| O01 | C07 | C12 | H12 | 1.8° | 0.1° |
| C02 | C03 | C04 | H03 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.2° | 0.0° |
| C03 | C02 | C01 | H01 | 179.8° | 179.7° |
| C02 | C03 | C04 | H04 | 179.8° | 179.9° |
| C03 | C04 | C05 | H04 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.3° | 0.0° |
| C04 | C03 | C02 | H02 | 179.9° | 180.0° |
| C05 | C04 | C03 | H03 | 179.8° | 180.0° |
| C04 | C05 | C06 | H06 | 179.9° | 180.0° |
| C05 | C06 | C01 | H01 | 179.9° | 179.7° |
| C06 | C05 | C04 | H04 | 179.7° | 179.9° |
| C07 | C08 | C09 | H08 | 180.0° | 179.9° |
| C07 | C08 | C09 | C10 | 1.0° | 0.1° |
| C08 | C07 | C12 | C11 | 1.5° | 0.6° |
| C07 | C08 | C09 | H09 | 179.0° | 179.9° |
| C08 | C07 | C12 | H12 | 178.5° | 179.7° |
| C12 | C07 | C08 | C09 | 0.6° | 0.3° |
| C07 | C12 | C11 | C10 | 0.9° | 0.5° |
| C07 | C12 | C11 | H12 | 180.0° | 179.7° |
| C12 | C07 | C08 | H08 | 179.4° | 179.8° |
| C07 | C12 | C11 | H11 | 179.1° | 179.7° |
| C08 | C09 | C10 | H09 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 1.7° | 0.0° |
| C09 | C10 | C11 | C12 | 0.7° | 0.2° |
| C10 | C09 | C08 | H08 | 179.0° | 179.9° |
| C09 | C10 | C11 | H11 | 179.3° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 179.8° |
| C11 | C10 | C09 | H09 | 178.3° | 180.0° |
| C10 | C11 | C12 | H12 | 179.2° | 179.8° |
| C14 | C13 | H13 | H13A | 121.8° | 120.0° |
| C13 | C14 | H14 | H14A | 118.4° | 120.0° |
| H | C | HA | HB | 120.0° | 119.9° |
| H01 | C01 | C02 | H02 | 0.2° | 0.2° |
| H01 | C01 | C06 | H06 | 0.1° | 0.2° |
| H02 | C02 | C03 | H03 | 0.1° | 0.0° |
| H03 | C03 | C04 | H04 | 0.2° | 0.1° |
| H08 | C08 | C09 | H09 | 1.0° | 0.0° |
| H11 | C11 | C12 | H12 | 0.9° | 0.0° |
| H13 | C13 | C14 | H14 | 75.8° | 177.4° |
| H13 | C13 | C14 | H14A | 43.2° | 62.5° |
| H13A | C13 | C14 | H14 | 45.4° | 62.5° |
| H13A | C13 | C14 | H14A | 164.4° | 57.5° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
