P19
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | doub | 1.31Å | 1.35Å | Aromatic |
| N01 | N05 | sing | 1.40Å | 1.37Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.40Å | Aromatic |
| C02 | H02 | sing | 1.08Å | 1.08Å | |
| C03 | C04 | doub | 1.38Å | 1.45Å | Aromatic |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| C04 | N06 | sing | 1.34Å | 1.34Å | Aromatic |
| C04 | N05 | sing | 1.37Å | 1.37Å | Aromatic |
| N05 | C09 | sing | 1.37Å | 1.33Å | Aromatic |
| N06 | C07 | doub | 1.32Å | 1.33Å | Aromatic |
| C07 | N17 | sing | 1.38Å | 1.36Å | |
| C07 | N08 | sing | 1.34Å | 1.33Å | Aromatic |
| N08 | C09 | doub | 1.32Å | 1.33Å | Aromatic |
| C09 | N10 | sing | 1.37Å | 1.36Å | |
| N10 | C11 | sing | 1.40Å | 1.36Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| N17 | C18 | sing | 1.40Å | 1.36Å | |
| N17 | HN17 | sing | 0.97Å | 1.00Å | |
| C18 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | N01 | N05 | 111.0° | 108.8° |
| N01 | C02 | C03 | 107.7° | 109.0° |
| N01 | C02 | H02 | 126.1° | 125.5° |
| N01 | N05 | C04 | 107.9° | 107.6° |
| N01 | N05 | C09 | 131.8° | 133.3° |
| C03 | C02 | H02 | 126.1° | 125.5° |
| C02 | C03 | C04 | 105.9° | 107.6° |
| C02 | C03 | H03 | 127.1° | 126.2° |
| C04 | C03 | H03 | 127.1° | 126.2° |
| C03 | C04 | N06 | 132.5° | 133.6° |
| C03 | C04 | N05 | 107.5° | 107.0° |
| N06 | C04 | N05 | 120.0° | 119.4° |
| C04 | N06 | C07 | 117.5° | 120.0° |
| C04 | N05 | C09 | 120.3° | 119.0° |
| N05 | C09 | N08 | 120.0° | 119.5° |
| N05 | C09 | N10 | 120.3° | 120.2° |
| N06 | C07 | N17 | 117.1° | 119.4° |
| N06 | C07 | N08 | 123.4° | 121.1° |
| N17 | C07 | N08 | 119.6° | 119.5° |
| C07 | N17 | C18 | 126.1° | 120.0° |
| C07 | N17 | HN17 | 117.0° | 120.0° |
| C07 | N08 | C09 | 118.9° | 120.9° |
| N08 | C09 | N10 | 119.7° | 120.3° |
| C09 | N10 | C11 | 125.7° | 120.0° |
| C09 | N10 | HN10 | 117.2° | 120.0° |
| C11 | N10 | HN10 | 117.2° | 120.0° |
| N10 | C11 | C12 | 122.8° | 120.1° |
| N10 | C11 | C16 | 118.5° | 120.1° |
| C12 | C11 | C16 | 118.7° | 119.8° |
| C11 | C12 | C13 | 121.8° | 119.9° |
| C11 | C12 | H12 | 119.1° | 120.0° |
| C11 | C16 | C15 | 120.0° | 119.9° |
| C11 | C16 | H16 | 120.0° | 120.0° |
| C13 | C12 | H12 | 119.1° | 120.1° |
| C12 | C13 | C14 | 119.0° | 120.1° |
| C12 | C13 | H13 | 120.5° | 119.9° |
| C14 | C13 | H13 | 120.5° | 120.0° |
| C13 | C14 | C15 | 119.7° | 120.1° |
| C13 | C14 | H14 | 120.1° | 119.9° |
| C15 | C14 | H14 | 120.2° | 120.0° |
| C14 | C15 | C16 | 120.8° | 120.1° |
| C14 | C15 | H15 | 119.6° | 119.9° |
| C16 | C15 | H15 | 119.6° | 119.9° |
| C15 | C16 | H16 | 120.0° | 120.0° |
| C18 | N17 | HN17 | 117.0° | 120.0° |
| N17 | C18 | C23 | 118.2° | 120.1° |
| N17 | C18 | C19 | 123.4° | 120.0° |
| C23 | C18 | C19 | 118.4° | 119.8° |
| C18 | C23 | C22 | 120.1° | 119.9° |
| C18 | C23 | H23 | 119.9° | 120.0° |
| C18 | C19 | C20 | 122.1° | 119.9° |
| C18 | C19 | H19 | 119.0° | 120.0° |
| C20 | C19 | H19 | 118.9° | 120.1° |
| C19 | C20 | C21 | 118.8° | 120.1° |
| C19 | C20 | H20 | 120.6° | 119.9° |
| C21 | C20 | H20 | 120.6° | 120.0° |
| C20 | C21 | C22 | 119.8° | 120.2° |
| C20 | C21 | H21 | 120.1° | 119.9° |
| C22 | C21 | H21 | 120.1° | 119.9° |
| C21 | C22 | C23 | 120.7° | 120.1° |
| C21 | C22 | H22 | 119.6° | 120.0° |
| C23 | C22 | H22 | 119.6° | 120.0° |
| C22 | C23 | H23 | 119.9° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | C03 | H02 | 180.0° | 180.0° |
| N01 | C02 | C03 | C04 | 0.0° | 0.0° |
| N01 | C02 | C03 | H03 | 179.9° | 179.9° |
| C02 | N01 | N05 | C04 | 0.1° | 0.0° |
| C02 | N01 | N05 | C09 | 179.2° | 180.0° |
| N05 | N01 | C02 | C03 | 0.1° | 0.0° |
| N05 | N01 | C02 | H02 | 180.0° | 180.0° |
| N01 | N05 | C04 | C03 | 0.1° | 0.0° |
| N01 | N05 | C04 | N06 | 179.3° | 179.9° |
| N01 | N05 | C04 | C09 | 179.3° | 180.0° |
| N01 | N05 | C09 | N08 | 179.0° | 180.0° |
| N01 | N05 | C09 | N10 | 0.9° | 0.1° |
| C02 | C03 | C04 | H03 | 180.0° | 179.9° |
| C02 | C03 | C04 | N06 | 179.2° | 179.9° |
| C02 | C03 | C04 | N05 | 0.0° | 0.0° |
| H02 | C02 | C03 | C04 | 180.0° | 180.0° |
| H02 | C02 | C03 | H03 | 0.0° | 0.1° |
| C03 | C04 | N06 | N05 | 179.1° | 180.0° |
| C03 | C04 | N05 | C09 | 179.3° | 180.0° |
| C03 | C04 | N06 | C07 | 179.0° | 180.0° |
| H03 | C03 | C04 | N06 | 0.9° | 0.1° |
| H03 | C03 | C04 | N05 | 180.0° | 179.9° |
| N06 | C04 | N05 | C09 | 0.0° | 0.0° |
| C04 | N06 | C07 | N17 | 179.1° | 179.9° |
| C04 | N06 | C07 | N08 | 0.1° | 0.0° |
| N05 | C04 | N06 | C07 | 0.1° | 0.0° |
| C04 | N05 | C09 | N08 | 0.1° | 0.0° |
| C04 | N05 | C09 | N10 | 180.0° | 180.0° |
| N05 | C09 | N08 | C07 | 0.1° | 0.1° |
| N05 | C09 | N08 | N10 | 179.9° | 180.0° |
| N05 | C09 | N10 | C11 | 179.5° | 174.5° |
| N05 | C09 | N10 | HN10 | 0.5° | 5.6° |
| N06 | C07 | N17 | N08 | 179.2° | 179.9° |
| N06 | C07 | N08 | C09 | 0.0° | 0.0° |
| N06 | C07 | N17 | C18 | 143.8° | 5.6° |
| N06 | C07 | N17 | HN17 | 36.2° | 174.3° |
| N17 | C07 | N08 | C09 | 179.2° | 180.0° |
| C07 | N17 | C18 | HN17 | 180.0° | 179.9° |
| C07 | N17 | C18 | C23 | 149.2° | 146.0° |
| C07 | N17 | C18 | C19 | 31.3° | 34.3° |
| C07 | N08 | C09 | N10 | 180.0° | 180.0° |
| N08 | C07 | N17 | C18 | 37.0° | 174.3° |
| N08 | C07 | N17 | HN17 | 143.1° | 5.8° |
| N08 | C09 | N10 | C11 | 0.6° | 5.6° |
| N08 | C09 | N10 | HN10 | 179.4° | 174.4° |
| C09 | N10 | C11 | HN10 | 180.0° | 180.0° |
| C09 | N10 | C11 | C12 | 40.5° | 145.7° |
| C09 | N10 | C11 | C16 | 141.2° | 34.6° |
| N10 | C11 | C12 | C16 | 178.3° | 179.7° |
| N10 | C11 | C12 | C13 | 177.4° | 180.0° |
| N10 | C11 | C12 | H12 | 2.6° | 0.0° |
| N10 | C11 | C16 | C15 | 177.2° | 179.8° |
| N10 | C11 | C16 | H16 | 2.7° | 0.0° |
| HN10 | N10 | C11 | C12 | 139.5° | 34.3° |
| HN10 | N10 | C11 | C16 | 38.8° | 145.5° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.0° |
| C11 | C12 | C13 | H13 | 179.8° | 180.0° |
| C12 | C11 | C16 | C15 | 1.2° | 0.5° |
| C12 | C11 | C16 | H16 | 178.8° | 179.7° |
| C16 | C11 | C12 | C13 | 1.0° | 0.3° |
| C16 | C11 | C12 | H12 | 179.0° | 179.8° |
| C11 | C16 | C15 | C14 | 0.3° | 0.4° |
| C11 | C16 | C15 | H16 | 180.0° | 179.8° |
| C11 | C16 | C15 | H15 | 179.7° | 179.8° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 1.1° | 0.0° |
| C12 | C13 | C14 | H14 | 179.0° | 180.0° |
| H12 | C12 | C13 | C14 | 179.9° | 180.0° |
| H12 | C12 | C13 | H13 | 0.2° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.8° | 0.2° |
| C13 | C14 | C15 | H15 | 179.2° | 180.0° |
| H13 | C13 | C14 | C15 | 178.9° | 180.0° |
| H13 | C13 | C14 | H14 | 1.1° | 0.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.8° |
| C14 | C15 | C16 | H16 | 179.7° | 179.7° |
| H14 | C14 | C15 | C16 | 179.2° | 179.8° |
| H14 | C14 | C15 | H15 | 0.8° | 0.0° |
| H15 | C15 | C16 | H16 | 0.3° | 0.0° |
| N17 | C18 | C23 | C19 | 179.5° | 179.7° |
| N17 | C18 | C19 | C20 | 179.9° | 180.0° |
| N17 | C18 | C19 | H19 | 0.1° | 0.0° |
| N17 | C18 | C23 | C22 | 180.0° | 179.7° |
| N17 | C18 | C23 | H23 | 0.0° | 0.0° |
| HN17 | N17 | C18 | C23 | 30.8° | 34.0° |
| HN17 | N17 | C18 | C19 | 148.7° | 145.7° |
| C23 | C18 | C19 | C20 | 0.5° | 0.3° |
| C23 | C18 | C19 | H19 | 179.4° | 179.8° |
| C18 | C23 | C22 | C21 | 0.1° | 0.6° |
| C18 | C23 | C22 | H23 | 180.0° | 179.7° |
| C18 | C23 | C22 | H22 | 179.9° | 179.7° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.0° | 0.0° |
| C18 | C19 | C20 | H20 | 180.0° | 179.9° |
| C19 | C18 | C23 | C22 | 0.5° | 0.6° |
| C19 | C18 | C23 | H23 | 179.5° | 179.7° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.7° | 0.0° |
| C19 | C20 | C21 | H21 | 179.3° | 180.0° |
| H19 | C19 | C20 | C21 | 180.0° | 180.0° |
| H19 | C19 | C20 | H20 | 0.0° | 0.0° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.7° | 0.3° |
| C20 | C21 | C22 | H22 | 179.3° | 180.0° |
| H20 | C20 | C21 | C22 | 179.3° | 179.9° |
| H20 | C20 | C21 | H21 | 0.7° | 0.1° |
| C21 | C22 | C23 | H22 | 180.0° | 179.7° |
| C21 | C22 | C23 | H23 | 179.8° | 179.7° |
| H21 | C21 | C22 | C23 | 179.3° | 179.7° |
| H21 | C21 | C22 | H22 | 0.8° | 0.0° |
| H22 | C22 | C23 | H23 | 0.2° | 0.0° |
