8ZJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | N15 | sing | 1.47Å | 1.44Å | |
| O17 | C14 | doub | 1.22Å | 1.19Å | |
| N15 | C14 | sing | 1.35Å | 1.46Å | |
| C14 | C13 | sing | 1.42Å | 1.52Å | |
| C13 | C18 | sing | 1.42Å | 1.37Å | Aromatic |
| C13 | C12 | doub | 1.41Å | 1.40Å | Aromatic |
| C18 | C19 | doub | 1.34Å | 1.39Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | N11 | sing | 1.33Å | 1.37Å | Aromatic |
| C12 | N20 | sing | 1.37Å | 1.33Å | Aromatic |
| N11 | C04 | doub | 1.33Å | 1.33Å | Aromatic |
| C19 | N20 | sing | 1.37Å | 1.38Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.37Å | Aromatic |
| C05 | C04 | sing | 1.48Å | 1.51Å | |
| C05 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| N20 | C02 | sing | 1.37Å | 1.36Å | Aromatic |
| C04 | C03 | sing | 1.41Å | 1.38Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | C03 | doub | 1.36Å | 1.37Å | Aromatic |
| C02 | O01 | sing | 1.35Å | 1.40Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | N15 | C14 | 119.7° | 120.0° |
| C16 | N15 | H151 | 120.1° | 120.0° |
| N15 | C16 | H163 | 109.5° | 109.5° |
| N15 | C16 | H161 | 109.4° | 109.5° |
| N15 | C16 | H162 | 109.5° | 109.5° |
| O17 | C14 | N15 | 121.8° | 120.0° |
| O17 | C14 | C13 | 118.7° | 120.0° |
| N15 | C14 | C13 | 119.5° | 120.0° |
| C14 | N15 | H151 | 120.2° | 120.0° |
| C14 | C13 | C18 | 128.3° | 126.7° |
| C14 | C13 | C12 | 124.3° | 126.7° |
| C18 | C13 | C12 | 107.2° | 106.5° |
| C13 | C18 | C19 | 107.6° | 107.8° |
| C13 | C18 | H181 | 126.2° | 126.1° |
| C13 | C12 | N11 | 130.5° | 131.9° |
| C13 | C12 | N20 | 108.9° | 107.2° |
| C18 | C19 | N20 | 107.7° | 109.6° |
| C19 | C18 | H181 | 126.2° | 126.1° |
| C18 | C19 | H191 | 126.1° | 125.2° |
| C10 | C09 | C08 | 118.7° | 120.2° |
| C09 | C10 | C05 | 119.0° | 119.8° |
| C09 | C10 | H101 | 120.5° | 120.1° |
| C10 | C09 | H091 | 120.7° | 119.9° |
| C09 | C08 | C07 | 122.7° | 120.2° |
| C09 | C08 | H081 | 118.7° | 119.9° |
| C08 | C09 | H091 | 120.6° | 119.9° |
| C10 | C05 | C04 | 117.7° | 120.1° |
| C10 | C05 | C06 | 121.2° | 119.7° |
| C05 | C10 | H101 | 120.5° | 120.1° |
| N11 | C12 | N20 | 120.6° | 120.9° |
| C12 | N11 | C04 | 120.3° | 121.0° |
| C12 | N20 | C19 | 108.7° | 108.9° |
| C12 | N20 | C02 | 120.4° | 119.7° |
| N11 | C04 | C05 | 116.6° | 120.0° |
| N11 | C04 | C03 | 119.6° | 120.0° |
| C19 | N20 | C02 | 130.9° | 131.4° |
| N20 | C19 | H191 | 126.2° | 125.2° |
| C08 | C07 | C06 | 118.4° | 120.1° |
| C08 | C07 | H071 | 120.8° | 119.9° |
| C07 | C08 | H081 | 118.6° | 119.8° |
| C04 | C05 | C06 | 121.0° | 120.1° |
| C05 | C04 | C03 | 123.3° | 120.0° |
| C05 | C06 | C07 | 119.7° | 119.9° |
| C05 | C06 | H061 | 120.1° | 120.0° |
| N20 | C02 | C03 | 119.3° | 119.2° |
| N20 | C02 | O01 | 120.0° | 120.4° |
| C04 | C03 | C02 | 119.5° | 119.3° |
| C04 | C03 | H031 | 120.2° | 120.3° |
| C07 | C06 | H061 | 120.1° | 120.1° |
| C06 | C07 | H071 | 120.8° | 120.0° |
| C03 | C02 | O01 | 120.6° | 120.4° |
| C02 | C03 | H031 | 120.3° | 120.4° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| H163 | C16 | H161 | 109.5° | 109.5° |
| H163 | C16 | H162 | 109.5° | 109.4° |
| H161 | C16 | H162 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | N15 | C14 | O17 | 1.2° | 0.0° |
| C16 | N15 | C14 | H151 | 180.0° | 180.0° |
| C16 | N15 | C14 | C13 | 178.9° | 180.0° |
| N15 | C16 | H163 | H161 | 120.0° | 120.0° |
| N15 | C16 | H163 | H162 | 120.0° | 120.0° |
| N15 | C16 | H161 | H162 | 120.0° | 120.0° |
| O17 | C14 | N15 | C13 | 177.8° | 180.0° |
| O17 | C14 | C13 | C18 | 17.0° | 180.0° |
| O17 | C14 | C13 | C12 | 167.7° | 0.3° |
| O17 | C14 | N15 | H151 | 178.9° | 180.0° |
| N15 | C14 | C13 | C18 | 160.8° | 0.0° |
| N15 | C14 | C13 | C12 | 14.5° | 179.7° |
| C14 | N15 | C16 | H163 | 180.0° | 179.9° |
| C14 | N15 | C16 | H161 | 60.0° | 60.0° |
| C14 | N15 | C16 | H162 | 60.0° | 60.0° |
| C14 | C13 | C18 | C12 | 175.9° | 179.8° |
| C14 | C13 | C18 | C19 | 176.7° | 179.7° |
| C14 | C13 | C12 | N11 | 3.2° | 0.3° |
| C14 | C13 | C12 | N20 | 176.9° | 179.7° |
| C13 | C14 | N15 | H151 | 1.1° | 0.0° |
| C14 | C13 | C18 | H181 | 3.3° | 0.3° |
| C13 | C18 | C19 | H181 | 180.0° | 180.0° |
| C18 | C13 | C12 | N11 | 179.4° | 180.0° |
| C18 | C13 | C12 | N20 | 0.7° | 0.0° |
| C13 | C18 | C19 | N20 | 0.6° | 0.0° |
| C13 | C18 | C19 | H191 | 179.4° | 180.0° |
| C12 | C13 | C18 | C19 | 0.8° | 0.0° |
| C13 | C12 | N11 | N20 | 179.9° | 180.0° |
| C13 | C12 | N11 | C04 | 178.6° | 179.9° |
| C13 | C12 | N20 | C19 | 0.4° | 0.0° |
| C13 | C12 | N20 | C02 | 179.0° | 180.0° |
| C12 | C13 | C18 | H181 | 179.2° | 180.0° |
| C18 | C19 | N20 | C12 | 0.1° | 0.0° |
| C18 | C19 | N20 | H191 | 180.0° | 180.0° |
| C18 | C19 | N20 | C02 | 179.4° | 180.0° |
| C10 | C09 | C08 | H091 | 180.0° | 179.6° |
| C09 | C10 | C05 | H101 | 180.0° | 179.8° |
| C10 | C09 | C08 | C07 | 2.6° | 0.4° |
| C09 | C10 | C05 | C04 | 177.0° | 179.8° |
| C09 | C10 | C05 | C06 | 0.2° | 0.2° |
| C10 | C09 | C08 | H081 | 177.4° | 179.8° |
| C08 | C09 | C10 | C05 | 0.1° | 0.4° |
| C09 | C08 | C07 | H081 | 180.0° | 179.8° |
| C09 | C08 | C07 | C06 | 5.1° | 0.2° |
| C08 | C09 | C10 | H101 | 179.9° | 179.8° |
| C09 | C08 | C07 | H071 | 174.9° | 179.8° |
| C10 | C05 | C04 | N11 | 13.3° | 0.1° |
| C10 | C05 | C04 | C06 | 176.7° | 180.0° |
| C10 | C05 | C04 | C03 | 159.2° | 180.0° |
| C10 | C05 | C06 | C07 | 2.8° | 0.0° |
| C10 | C05 | C06 | H061 | 177.2° | 180.0° |
| C05 | C10 | C09 | H091 | 179.9° | 180.0° |
| N11 | C12 | N20 | C19 | 179.7° | 180.0° |
| C12 | N11 | C04 | C05 | 177.3° | 179.9° |
| N11 | C12 | N20 | C02 | 0.9° | 0.0° |
| C12 | N11 | C04 | C03 | 4.5° | 0.1° |
| N20 | C12 | N11 | C04 | 1.5° | 0.1° |
| C12 | N20 | C19 | C02 | 179.3° | 180.0° |
| C12 | N20 | C02 | C03 | 0.3° | 0.0° |
| C12 | N20 | C02 | O01 | 176.2° | 180.0° |
| C12 | N20 | C19 | H191 | 179.9° | 180.0° |
| N11 | C04 | C05 | C03 | 172.5° | 179.9° |
| N11 | C04 | C05 | C06 | 169.9° | 180.0° |
| N11 | C04 | C03 | C02 | 5.1° | 0.1° |
| N11 | C04 | C03 | H031 | 174.9° | 180.0° |
| C19 | N20 | C02 | C03 | 179.5° | 180.0° |
| C19 | N20 | C02 | O01 | 3.0° | 0.0° |
| N20 | C19 | C18 | H181 | 179.4° | 180.0° |
| C08 | C07 | C06 | C05 | 5.1° | 0.0° |
| C08 | C07 | C06 | H071 | 180.0° | 180.0° |
| C08 | C07 | C06 | H061 | 174.9° | 180.0° |
| C07 | C08 | C09 | H091 | 177.4° | 180.0° |
| C04 | C05 | C06 | C07 | 179.4° | 180.0° |
| C05 | C04 | C03 | C02 | 177.4° | 180.0° |
| C04 | C05 | C10 | H101 | 3.1° | 0.0° |
| C05 | C04 | C03 | H031 | 2.6° | 0.0° |
| C04 | C05 | C06 | H061 | 0.6° | 0.1° |
| C06 | C05 | C04 | C03 | 17.5° | 0.0° |
| C05 | C06 | C07 | H061 | 180.0° | 179.9° |
| C06 | C05 | C10 | H101 | 179.8° | 180.0° |
| C05 | C06 | C07 | H071 | 174.9° | 180.0° |
| N20 | C02 | C03 | C04 | 2.7° | 0.0° |
| N20 | C02 | C03 | O01 | 176.4° | 179.9° |
| N20 | C02 | O01 | H011 | 180.0° | 179.9° |
| N20 | C02 | C03 | H031 | 177.3° | 180.0° |
| C02 | N20 | C19 | H191 | 0.6° | 0.0° |
| C04 | C03 | C02 | H031 | 180.0° | 180.0° |
| C04 | C03 | C02 | O01 | 179.1° | 179.9° |
| C06 | C07 | C08 | H081 | 174.9° | 180.0° |
| C03 | C02 | O01 | H011 | 3.6° | 0.0° |
| O01 | C02 | C03 | H031 | 0.9° | 0.0° |
| H101 | C10 | C09 | H091 | 0.0° | 0.2° |
| H061 | C06 | C07 | H071 | 5.1° | 0.1° |
| H071 | C07 | C08 | H081 | 5.1° | 0.0° |
| H081 | C08 | C09 | H091 | 2.5° | 0.2° |
| H151 | N15 | C16 | H163 | 0.0° | 0.0° |
| H151 | N15 | C16 | H161 | 120.0° | 120.0° |
| H151 | N15 | C16 | H162 | 120.0° | 120.0° |
| H163 | C16 | H161 | H162 | 120.0° | 120.0° |
| H181 | C18 | C19 | H191 | 0.6° | 0.0° |
