4Z9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.37Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | C9 | doub | 1.40Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.41Å | 1.45Å | Aromatic |
| C8 | N1 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C3 | sing | 1.47Å | 1.46Å | Aromatic |
| O14 | C13 | sing | 1.43Å | 1.41Å | |
| N1 | C2 | sing | 1.37Å | 1.40Å | Aromatic |
| C3 | C15 | sing | 1.51Å | 1.48Å | |
| C3 | C2 | doub | 1.34Å | 1.40Å | Aromatic |
| C13 | C15 | sing | 1.53Å | 1.54Å | |
| C13 | C10 | sing | 1.51Å | 1.53Å | |
| O12 | C10 | doub | 1.21Å | 1.23Å | |
| C10 | O11 | sing | 1.34Å | 1.36Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| O11 | H2 | sing | 0.97Å | 0.95Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| O14 | H4 | sing | 0.97Å | 0.95Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| C4 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | C7 | 121.1° | 120.7° |
| C6 | C5 | C4 | 121.6° | 120.5° |
| C6 | C5 | H1 | 119.2° | 119.7° |
| C5 | C6 | H10 | 119.5° | 119.7° |
| C6 | C7 | C8 | 118.1° | 119.8° |
| C6 | C7 | H9 | 120.9° | 120.1° |
| C7 | C6 | H10 | 119.5° | 119.7° |
| C5 | C4 | C9 | 119.3° | 119.7° |
| C4 | C5 | H1 | 119.2° | 119.7° |
| C5 | C4 | H11 | 120.4° | 120.2° |
| C7 | C8 | C9 | 121.1° | 119.3° |
| C7 | C8 | N1 | 131.0° | 133.5° |
| C8 | C7 | H9 | 121.0° | 120.1° |
| C4 | C9 | C8 | 118.8° | 119.9° |
| C4 | C9 | C3 | 134.3° | 134.1° |
| C9 | C4 | H11 | 120.3° | 120.1° |
| C9 | C8 | N1 | 107.9° | 107.1° |
| C8 | C9 | C3 | 106.9° | 106.0° |
| C8 | N1 | C2 | 108.2° | 109.9° |
| C8 | N1 | H8 | 125.9° | 125.0° |
| C9 | C3 | C15 | 126.4° | 126.5° |
| C9 | C3 | C2 | 106.0° | 107.0° |
| O14 | C13 | C15 | 107.8° | 109.5° |
| O14 | C13 | C10 | 108.5° | 109.5° |
| O14 | C13 | H3 | 110.6° | 109.4° |
| C13 | O14 | H4 | 109.5° | 114.0° |
| N1 | C2 | C3 | 111.0° | 109.9° |
| N1 | C2 | H7 | 124.5° | 125.0° |
| C2 | N1 | H8 | 125.9° | 125.1° |
| C15 | C3 | C2 | 127.6° | 126.5° |
| C3 | C15 | C13 | 115.5° | 109.5° |
| C3 | C15 | H5 | 107.9° | 109.5° |
| C3 | C15 | H6 | 107.9° | 109.5° |
| C3 | C2 | H7 | 124.5° | 125.1° |
| C15 | C13 | C10 | 112.1° | 109.5° |
| C15 | C13 | H3 | 108.8° | 109.4° |
| C13 | C15 | H5 | 108.0° | 109.5° |
| C13 | C15 | H6 | 107.9° | 109.4° |
| C13 | C10 | O12 | 126.9° | 119.9° |
| C13 | C10 | O11 | 119.9° | 120.0° |
| C10 | C13 | H3 | 108.9° | 109.5° |
| O12 | C10 | O11 | 110.6° | 120.0° |
| C10 | O11 | H2 | 109.5° | 117.0° |
| H5 | C15 | H6 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | C7 | H10 | 180.0° | 179.8° |
| C6 | C5 | C4 | H1 | 180.0° | 179.5° |
| C5 | C6 | C7 | C8 | 0.2° | 0.0° |
| C6 | C5 | C4 | C9 | 0.2° | 0.5° |
| C5 | C6 | C7 | H9 | 179.7° | 180.0° |
| C6 | C5 | C4 | H11 | 179.8° | 180.0° |
| C7 | C6 | C5 | C4 | 0.1° | 0.2° |
| C6 | C7 | C8 | H9 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.5° | 0.0° |
| C6 | C7 | C8 | N1 | 179.7° | 179.7° |
| C7 | C6 | C5 | H1 | 179.9° | 179.7° |
| C5 | C4 | C9 | H11 | 180.0° | 179.6° |
| C5 | C4 | C9 | C8 | 0.0° | 0.5° |
| C5 | C4 | C9 | C3 | 179.7° | 179.6° |
| C4 | C5 | C6 | H10 | 179.9° | 180.0° |
| C7 | C8 | C9 | C4 | 0.4° | 0.3° |
| C7 | C8 | C9 | N1 | 179.3° | 179.7° |
| C7 | C8 | C9 | C3 | 179.4° | 179.8° |
| C7 | C8 | N1 | C2 | 179.6° | 179.7° |
| C7 | C8 | N1 | H8 | 0.4° | 0.3° |
| C8 | C7 | C6 | H10 | 179.7° | 179.8° |
| C4 | C9 | C8 | C3 | 179.8° | 180.0° |
| C4 | C9 | C8 | N1 | 179.7° | 180.0° |
| C4 | C9 | C3 | C15 | 1.9° | 0.0° |
| C4 | C9 | C3 | C2 | 180.0° | 180.0° |
| C9 | C4 | C5 | H1 | 179.8° | 180.0° |
| C9 | C8 | N1 | C2 | 0.3° | 0.0° |
| C8 | C9 | C3 | C15 | 178.4° | 180.0° |
| C8 | C9 | C3 | C2 | 0.2° | 0.0° |
| C9 | C8 | N1 | H8 | 179.7° | 180.0° |
| C9 | C8 | C7 | H9 | 179.5° | 179.9° |
| C8 | C9 | C4 | H11 | 180.0° | 180.0° |
| N1 | C8 | C9 | C3 | 0.1° | 0.0° |
| C8 | N1 | C2 | H8 | 180.0° | 180.0° |
| C8 | N1 | C2 | C3 | 0.5° | 0.0° |
| C8 | N1 | C2 | H7 | 179.5° | 180.0° |
| N1 | C8 | C7 | H9 | 0.3° | 0.3° |
| C9 | C3 | C2 | N1 | 0.4° | 0.0° |
| C9 | C3 | C15 | C2 | 177.8° | 180.0° |
| C9 | C3 | C15 | C13 | 116.0° | 85.0° |
| C9 | C3 | C15 | H5 | 4.9° | 35.0° |
| C9 | C3 | C15 | H6 | 123.1° | 155.0° |
| C9 | C3 | C2 | H7 | 179.6° | 179.9° |
| C3 | C9 | C4 | H11 | 0.3° | 0.0° |
| O14 | C13 | C15 | C3 | 77.4° | 64.9° |
| O14 | C13 | C15 | C10 | 119.4° | 120.1° |
| O14 | C13 | C15 | H3 | 120.0° | 119.9° |
| O14 | C13 | C10 | H3 | 120.5° | 120.0° |
| O14 | C13 | C10 | O12 | 39.1° | 5.0° |
| O14 | C13 | C10 | O11 | 160.7° | 175.0° |
| O14 | C13 | C15 | H5 | 43.5° | 175.0° |
| O14 | C13 | C15 | H6 | 161.7° | 55.1° |
| N1 | C2 | C3 | C15 | 178.5° | 180.0° |
| N1 | C2 | C3 | H7 | 180.0° | 179.9° |
| C3 | C15 | C13 | H5 | 120.9° | 120.1° |
| C3 | C15 | C13 | H6 | 120.9° | 120.0° |
| C3 | C15 | C13 | C10 | 163.2° | 175.0° |
| C3 | C15 | C13 | H3 | 42.6° | 55.0° |
| C3 | C15 | H5 | H6 | 117.2° | 120.0° |
| C15 | C3 | C2 | H7 | 1.4° | 0.1° |
| C2 | C3 | C15 | C13 | 66.3° | 95.0° |
| C2 | C3 | C15 | H5 | 172.8° | 145.0° |
| C2 | C3 | C15 | H6 | 54.6° | 25.0° |
| C3 | C2 | N1 | H8 | 179.5° | 180.0° |
| C15 | C13 | C10 | H3 | 120.5° | 120.0° |
| C15 | C13 | C10 | O12 | 158.1° | 115.0° |
| C15 | C13 | C10 | O11 | 41.8° | 65.0° |
| C15 | C13 | O14 | H4 | 136.1° | 60.1° |
| C13 | C15 | H5 | H6 | 117.3° | 119.9° |
| C13 | C10 | O12 | O11 | 161.7° | 180.0° |
| C13 | C10 | O11 | H2 | 163.1° | 180.0° |
| C10 | C13 | O14 | H4 | 14.5° | 60.0° |
| C10 | C13 | C15 | H5 | 75.9° | 54.9° |
| C10 | C13 | C15 | H6 | 42.3° | 65.0° |
| O12 | C10 | O11 | H2 | 0.0° | 0.0° |
| O12 | C10 | C13 | H3 | 81.4° | 125.0° |
| O11 | C10 | C13 | H3 | 78.8° | 55.0° |
| H1 | C5 | C6 | H10 | 0.1° | 0.5° |
| H1 | C5 | C4 | H11 | 0.2° | 0.5° |
| H3 | C13 | O14 | H4 | 105.0° | 180.0° |
| H3 | C13 | C15 | H5 | 163.5° | 65.1° |
| H3 | C13 | C15 | H6 | 78.2° | 175.0° |
| H7 | C2 | N1 | H8 | 0.5° | 0.0° |
| H9 | C7 | C6 | H10 | 0.3° | 0.2° |
