1K5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.37Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| O18 | C19 | doub | 1.21Å | 1.27Å | |
| C19 | O17 | sing | 1.34Å | 1.26Å | |
| C19 | C16 | sing | 1.51Å | 1.48Å | |
| C12 | C09 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C09 | sing | 1.41Å | 1.40Å | Aromatic |
| C10 | N07 | sing | 1.38Å | 1.42Å | |
| C16 | N07 | sing | 1.47Å | 1.45Å | |
| C09 | C08 | sing | 1.48Å | 1.31Å | |
| N07 | C06 | sing | 1.38Å | 1.43Å | |
| C08 | O15 | doub | 1.22Å | 1.22Å | |
| C08 | C05 | sing | 1.48Å | 1.32Å | |
| C06 | C05 | doub | 1.41Å | 1.39Å | Aromatic |
| C06 | C01 | sing | 1.39Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C01 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | doub | 1.37Å | 1.38Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.08Å | 1.08Å | |
| C02 | H3 | sing | 1.08Å | 1.08Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| O17 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | C11 | 120.4° | 120.7° |
| C14 | C13 | C12 | 120.2° | 120.4° |
| C14 | C13 | H1 | 119.9° | 119.8° |
| C13 | C14 | H8 | 119.8° | 119.7° |
| C14 | C11 | C10 | 120.3° | 119.9° |
| C14 | C11 | H6 | 119.9° | 120.0° |
| C11 | C14 | H8 | 119.8° | 119.6° |
| C13 | C12 | C09 | 119.4° | 119.6° |
| C12 | C13 | H1 | 119.9° | 119.8° |
| C13 | C12 | H7 | 120.3° | 120.2° |
| C11 | C10 | C09 | 117.8° | 119.1° |
| C11 | C10 | N07 | 120.0° | 120.4° |
| C10 | C11 | H6 | 119.9° | 120.1° |
| O18 | C19 | O17 | 121.1° | 120.0° |
| O18 | C19 | C16 | 120.4° | 120.0° |
| O17 | C19 | C16 | 118.5° | 120.0° |
| C19 | O17 | H11 | 109.5° | 117.0° |
| C19 | C16 | N07 | 111.1° | 109.5° |
| C19 | C16 | H9 | 109.1° | 109.5° |
| C19 | C16 | H10 | 109.1° | 109.5° |
| C12 | C09 | C10 | 122.0° | 120.2° |
| C12 | C09 | C08 | 116.0° | 121.0° |
| C09 | C12 | H7 | 120.3° | 120.2° |
| C09 | C10 | N07 | 122.1° | 120.5° |
| C10 | C09 | C08 | 122.0° | 118.8° |
| C10 | N07 | C16 | 123.7° | 119.1° |
| C10 | N07 | C06 | 111.4° | 121.8° |
| C16 | N07 | C06 | 124.8° | 119.1° |
| N07 | C16 | H9 | 109.0° | 109.4° |
| N07 | C16 | H10 | 109.1° | 109.5° |
| C09 | C08 | O15 | 118.6° | 121.6° |
| C09 | C08 | C05 | 120.7° | 116.9° |
| N07 | C06 | C05 | 123.2° | 120.4° |
| N07 | C06 | C01 | 120.4° | 120.4° |
| O15 | C08 | C05 | 120.7° | 121.6° |
| C08 | C05 | C06 | 120.5° | 118.9° |
| C08 | C05 | C04 | 117.1° | 121.0° |
| C05 | C06 | C01 | 116.3° | 119.2° |
| C06 | C05 | C04 | 122.4° | 120.2° |
| C06 | C01 | C02 | 121.3° | 119.9° |
| C06 | C01 | H2 | 119.4° | 120.0° |
| C05 | C04 | C03 | 120.4° | 119.6° |
| C05 | C04 | H5 | 119.8° | 120.1° |
| C01 | C02 | C03 | 121.2° | 120.7° |
| C02 | C01 | H2 | 119.4° | 120.0° |
| C01 | C02 | H3 | 119.4° | 119.7° |
| C04 | C03 | C02 | 118.4° | 120.4° |
| C04 | C03 | H4 | 120.8° | 119.8° |
| C03 | C04 | H5 | 119.8° | 120.2° |
| C03 | C02 | H3 | 119.4° | 119.6° |
| C02 | C03 | H4 | 120.8° | 119.8° |
| H9 | C16 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | C11 | H8 | 180.0° | 179.5° |
| C14 | C13 | C12 | H1 | 180.0° | 179.6° |
| C13 | C14 | C11 | C10 | 0.3° | 0.3° |
| C14 | C13 | C12 | C09 | 0.5° | 0.4° |
| C13 | C14 | C11 | H6 | 179.7° | 179.6° |
| C14 | C13 | C12 | H7 | 179.5° | 179.9° |
| C11 | C14 | C13 | C12 | 0.5° | 0.4° |
| C14 | C11 | C10 | H6 | 180.0° | 180.0° |
| C14 | C11 | C10 | C09 | 0.2° | 0.2° |
| C14 | C11 | C10 | N07 | 179.6° | 179.5° |
| C11 | C14 | C13 | H1 | 179.5° | 180.0° |
| C13 | C12 | C09 | H7 | 180.0° | 179.7° |
| C13 | C12 | C09 | C10 | 0.4° | 0.2° |
| C13 | C12 | C09 | C08 | 179.8° | 179.7° |
| C12 | C13 | C14 | H8 | 179.5° | 179.9° |
| C11 | C10 | C09 | C12 | 0.2° | 0.1° |
| C11 | C10 | C09 | N07 | 179.4° | 179.7° |
| C11 | C10 | N07 | C16 | 1.9° | 14.1° |
| C11 | C10 | C09 | C08 | 180.0° | 179.8° |
| C11 | C10 | N07 | C06 | 180.0° | 165.8° |
| C10 | C11 | C14 | H8 | 179.7° | 179.8° |
| O18 | C19 | O17 | C16 | 179.6° | 180.0° |
| O18 | C19 | C16 | N07 | 166.3° | 0.0° |
| O18 | C19 | C16 | H9 | 73.4° | 120.0° |
| O18 | C19 | C16 | H10 | 46.1° | 120.0° |
| O18 | C19 | O17 | H11 | 0.0° | 0.0° |
| O17 | C19 | C16 | N07 | 14.0° | 180.0° |
| O17 | C19 | C16 | H9 | 106.2° | 60.0° |
| O17 | C19 | C16 | H10 | 134.3° | 60.0° |
| C19 | C16 | N07 | C10 | 91.2° | 89.9° |
| C19 | C16 | N07 | H9 | 120.2° | 120.0° |
| C19 | C16 | N07 | H10 | 120.2° | 120.0° |
| C19 | C16 | N07 | C06 | 91.0° | 90.0° |
| C19 | C16 | H9 | H10 | 119.3° | 120.0° |
| C16 | C19 | O17 | H11 | 179.6° | 180.0° |
| C12 | C09 | C10 | C08 | 179.9° | 179.9° |
| C12 | C09 | C10 | N07 | 179.6° | 179.6° |
| C12 | C09 | C08 | O15 | 0.4° | 12.5° |
| C12 | C09 | C08 | C05 | 179.8° | 167.5° |
| C09 | C12 | C13 | H1 | 179.5° | 180.0° |
| C09 | C10 | N07 | C16 | 178.7° | 165.6° |
| C09 | C10 | N07 | C06 | 0.6° | 14.5° |
| C10 | C09 | C08 | O15 | 179.4° | 167.6° |
| C10 | C09 | C08 | C05 | 0.0° | 12.4° |
| C09 | C10 | C11 | H6 | 179.9° | 179.8° |
| C10 | C09 | C12 | H7 | 179.7° | 179.9° |
| C10 | N07 | C16 | C06 | 177.8° | 179.9° |
| N07 | C10 | C09 | C08 | 0.6° | 0.5° |
| C10 | N07 | C06 | C05 | 0.2° | 14.5° |
| C10 | N07 | C06 | C01 | 179.6° | 165.7° |
| N07 | C10 | C11 | H6 | 0.4° | 0.5° |
| C10 | N07 | C16 | H9 | 148.6° | 30.0° |
| C10 | N07 | C16 | H10 | 29.1° | 150.0° |
| C16 | N07 | C06 | C05 | 178.2° | 165.5° |
| C16 | N07 | C06 | C01 | 1.5° | 14.2° |
| N07 | C16 | H9 | H10 | 119.3° | 120.0° |
| C09 | C08 | O15 | C05 | 179.4° | 180.0° |
| C09 | C08 | C05 | C06 | 0.5° | 12.4° |
| C09 | C08 | C05 | C04 | 179.9° | 167.5° |
| C08 | C09 | C12 | H7 | 0.2° | 0.0° |
| N07 | C06 | C05 | C08 | 0.3° | 0.6° |
| N07 | C06 | C05 | C01 | 179.8° | 179.7° |
| N07 | C06 | C05 | C04 | 180.0° | 179.5° |
| N07 | C06 | C01 | C02 | 179.9° | 179.6° |
| N07 | C06 | C01 | H2 | 0.1° | 0.4° |
| C06 | N07 | C16 | H9 | 29.2° | 150.0° |
| C06 | N07 | C16 | H10 | 148.7° | 30.0° |
| O15 | C08 | C05 | C06 | 179.9° | 167.7° |
| O15 | C08 | C05 | C04 | 0.5° | 12.4° |
| C08 | C05 | C06 | C04 | 179.6° | 179.9° |
| C08 | C05 | C06 | C01 | 179.9° | 179.7° |
| C08 | C05 | C04 | C03 | 179.6° | 179.7° |
| C08 | C05 | C04 | H5 | 0.5° | 0.2° |
| C05 | C06 | C01 | C02 | 0.3° | 0.1° |
| C06 | C05 | C04 | C03 | 0.1° | 0.2° |
| C05 | C06 | C01 | H2 | 179.7° | 179.9° |
| C06 | C05 | C04 | H5 | 179.9° | 179.9° |
| C01 | C06 | C05 | C04 | 0.2° | 0.2° |
| C06 | C01 | C02 | H2 | 180.0° | 180.0° |
| C06 | C01 | C02 | C03 | 0.1° | 0.0° |
| C06 | C01 | C02 | H3 | 179.9° | 179.9° |
| C05 | C04 | C03 | H5 | 180.0° | 179.9° |
| C05 | C04 | C03 | C02 | 0.3° | 0.1° |
| C05 | C04 | C03 | H4 | 179.7° | 180.0° |
| C01 | C02 | C03 | C04 | 0.2° | 0.0° |
| C01 | C02 | C03 | H3 | 180.0° | 179.9° |
| C01 | C02 | C03 | H4 | 179.8° | 179.9° |
| C04 | C03 | C02 | H4 | 180.0° | 179.9° |
| C04 | C03 | C02 | H3 | 179.7° | 179.9° |
| C03 | C02 | C01 | H2 | 179.9° | 180.0° |
| C02 | C03 | C04 | H5 | 179.6° | 180.0° |
| H1 | C13 | C12 | H7 | 0.5° | 0.3° |
| H1 | C13 | C14 | H8 | 0.5° | 0.5° |
| H2 | C01 | C02 | H3 | 0.0° | 0.1° |
| H3 | C02 | C03 | H4 | 0.2° | 0.2° |
| H4 | C03 | C04 | H5 | 0.3° | 0.1° |
| H6 | C11 | C14 | H8 | 0.3° | 0.2° |
