J5Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C1 | doub | 1.38Å | 1.37Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.37Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | N1 | sing | 1.40Å | 1.35Å | |
| N1 | C11 | sing | 1.38Å | 1.35Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C3 | C2 | doub | 1.39Å | 1.37Å | Aromatic |
| N3 | N2 | sing | 1.40Å | 1.35Å | Aromatic |
| C11 | N2 | sing | 1.37Å | 1.31Å | Aromatic |
| N2 | C15 | sing | 1.37Å | 1.28Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N3 | C16 | doub | 1.31Å | 1.33Å | Aromatic |
| C9 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | N4 | sing | 1.33Å | 1.34Å | Aromatic |
| N4 | C15 | doub | 1.33Å | 1.32Å | Aromatic |
| C15 | N5 | sing | 1.34Å | 1.32Å | Aromatic |
| C13 | N5 | doub | 1.32Å | 1.33Å | Aromatic |
| F23 | C8 | sing | 1.40Å | 1.28Å | |
| F22 | C8 | sing | 1.40Å | 1.28Å | |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| C8 | F24 | sing | 1.40Å | 1.27Å | |
| C9 | C10 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C1 | C2 | 120.9° | 119.9° |
| C10 | C1 | H1 | 119.5° | 120.1° |
| C1 | C10 | C9 | 121.1° | 120.1° |
| C1 | C10 | H10 | 119.4° | 119.9° |
| C2 | C1 | H1 | 119.6° | 120.0° |
| C1 | C2 | N1 | 121.8° | 120.1° |
| C1 | C2 | C3 | 118.2° | 119.8° |
| C2 | N1 | C11 | 126.3° | 120.0° |
| C2 | N1 | HN1 | 116.8° | 120.0° |
| N1 | C2 | C3 | 119.3° | 120.1° |
| C11 | N1 | HN1 | 116.9° | 120.0° |
| N1 | C11 | N2 | 120.0° | 120.6° |
| N1 | C11 | C12 | 122.2° | 120.6° |
| C2 | C3 | C4 | 121.2° | 119.9° |
| C2 | C3 | H3 | 119.4° | 120.0° |
| N3 | N2 | C11 | 125.5° | 133.4° |
| N3 | N2 | C15 | 112.3° | 106.4° |
| N2 | N3 | C16 | 103.1° | 107.0° |
| C11 | N2 | C15 | 122.3° | 120.2° |
| N2 | C11 | C12 | 115.7° | 118.7° |
| N2 | C15 | N4 | 107.0° | 107.2° |
| N2 | C15 | N5 | 125.6° | 120.4° |
| C4 | C3 | H3 | 119.4° | 120.1° |
| C3 | C4 | C9 | 120.7° | 120.1° |
| C3 | C4 | H4 | 119.7° | 119.9° |
| N3 | C16 | N4 | 109.7° | 109.7° |
| N3 | C16 | H16 | 125.2° | 125.1° |
| C9 | C4 | H4 | 119.6° | 120.0° |
| C4 | C9 | C8 | 121.3° | 119.9° |
| C4 | C9 | C10 | 118.0° | 120.2° |
| C16 | N4 | C15 | 107.9° | 109.7° |
| N4 | C16 | H16 | 125.2° | 125.2° |
| N4 | C15 | N5 | 127.4° | 132.4° |
| C15 | N5 | C13 | 115.8° | 121.2° |
| N5 | C13 | C12 | 120.2° | 120.4° |
| N5 | C13 | C14 | 119.1° | 119.8° |
| F23 | C8 | F22 | 105.5° | 109.5° |
| F23 | C8 | C9 | 114.0° | 109.4° |
| F23 | C8 | F24 | 107.1° | 109.5° |
| F22 | C8 | C9 | 110.4° | 109.5° |
| F22 | C8 | F24 | 107.3° | 109.5° |
| C9 | C8 | F24 | 112.1° | 109.5° |
| C8 | C9 | C10 | 120.8° | 119.9° |
| C9 | C10 | H10 | 119.5° | 120.0° |
| C11 | C12 | C13 | 120.5° | 119.0° |
| C11 | C12 | H12 | 119.8° | 120.5° |
| C13 | C12 | H12 | 119.8° | 120.5° |
| C12 | C13 | C14 | 120.7° | 119.8° |
| C13 | C14 | H14 | 109.5° | 109.4° |
| C13 | C14 | H14A | 109.5° | 109.5° |
| C13 | C14 | H14B | 109.5° | 109.4° |
| H14 | C14 | H14A | 109.4° | 109.5° |
| H14 | C14 | H14B | 109.5° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C1 | C2 | H1 | 180.0° | 179.7° |
| C10 | C1 | C2 | N1 | 171.1° | 179.7° |
| C10 | C1 | C2 | C3 | 1.3° | 0.3° |
| C1 | C10 | C9 | C4 | 0.6° | 0.5° |
| C1 | C10 | C9 | C8 | 179.2° | 179.8° |
| C1 | C10 | C9 | H10 | 180.0° | 179.8° |
| C1 | C2 | N1 | C3 | 169.7° | 180.0° |
| C1 | C2 | N1 | C11 | 66.0° | 173.0° |
| C1 | C2 | N1 | HN1 | 114.0° | 7.1° |
| C1 | C2 | C3 | C4 | 0.6° | 0.0° |
| C1 | C2 | C3 | H3 | 179.4° | 180.0° |
| C2 | C1 | C10 | C9 | 0.7° | 0.5° |
| C2 | C1 | C10 | H10 | 179.3° | 179.7° |
| H1 | C1 | C2 | N1 | 8.9° | 0.0° |
| H1 | C1 | C2 | C3 | 178.7° | 180.0° |
| H1 | C1 | C10 | C9 | 179.3° | 179.8° |
| H1 | C1 | C10 | H10 | 0.7° | 0.0° |
| C2 | N1 | C11 | HN1 | 180.0° | 180.0° |
| C2 | N1 | C11 | N2 | 173.2° | 58.1° |
| N1 | C2 | C3 | C4 | 170.7° | 180.0° |
| N1 | C2 | C3 | H3 | 9.3° | 0.0° |
| C2 | N1 | C11 | C12 | 10.5° | 122.0° |
| C11 | N1 | C2 | C3 | 124.3° | 7.0° |
| N1 | C11 | N2 | N3 | 15.6° | 0.2° |
| N1 | C11 | N2 | C12 | 163.8° | 179.9° |
| N1 | C11 | N2 | C15 | 163.6° | 180.0° |
| N1 | C11 | C12 | C13 | 163.7° | 180.0° |
| N1 | C11 | C12 | H12 | 16.3° | 0.0° |
| HN1 | N1 | C2 | C3 | 55.7° | 173.0° |
| HN1 | N1 | C11 | N2 | 6.7° | 121.9° |
| HN1 | N1 | C11 | C12 | 169.5° | 58.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C9 | 0.7° | 0.0° |
| C2 | C3 | C4 | H4 | 179.3° | 180.0° |
| N3 | N2 | C11 | C15 | 179.3° | 179.7° |
| N2 | N3 | C16 | N4 | 0.0° | 0.1° |
| N3 | N2 | C15 | N4 | 0.1° | 0.0° |
| N3 | N2 | C15 | N5 | 179.9° | 179.8° |
| N3 | N2 | C11 | C12 | 179.4° | 179.7° |
| N2 | N3 | C16 | H16 | 180.0° | 180.0° |
| C11 | N2 | N3 | C16 | 179.4° | 179.7° |
| C11 | N2 | C15 | N4 | 179.5° | 179.8° |
| C11 | N2 | C15 | N5 | 0.5° | 0.0° |
| N2 | C11 | C12 | C13 | 0.3° | 0.1° |
| N2 | C11 | C12 | H12 | 179.7° | 179.9° |
| C15 | N2 | N3 | C16 | 0.1° | 0.0° |
| N2 | C15 | N4 | C16 | 0.1° | 0.0° |
| N2 | C15 | N4 | N5 | 180.0° | 179.7° |
| N2 | C15 | N5 | C13 | 0.4° | 0.0° |
| C15 | N2 | C11 | C12 | 0.2° | 0.1° |
| C3 | C4 | C9 | H4 | 180.0° | 180.0° |
| C3 | C4 | C9 | C8 | 179.9° | 179.9° |
| C3 | C4 | C9 | C10 | 1.3° | 0.2° |
| H3 | C3 | C4 | C9 | 179.3° | 180.0° |
| H3 | C3 | C4 | H4 | 0.7° | 0.0° |
| N3 | C16 | N4 | H16 | 180.0° | 179.9° |
| N3 | C16 | N4 | C15 | 0.1° | 0.1° |
| C4 | C9 | C8 | F23 | 49.4° | 30.0° |
| C4 | C9 | C8 | F22 | 167.9° | 150.0° |
| C4 | C9 | C8 | C10 | 178.6° | 179.7° |
| C4 | C9 | C8 | F24 | 72.6° | 90.0° |
| C4 | C9 | C10 | H10 | 179.4° | 179.7° |
| H4 | C4 | C9 | C8 | 0.1° | 0.0° |
| H4 | C4 | C9 | C10 | 178.7° | 179.7° |
| C16 | N4 | C15 | N5 | 179.9° | 179.7° |
| N4 | C15 | N5 | C13 | 179.6° | 179.7° |
| C15 | N4 | C16 | H16 | 179.9° | 180.0° |
| C15 | N5 | C13 | C12 | 0.1° | 0.0° |
| C15 | N5 | C13 | C14 | 179.7° | 180.0° |
| N5 | C13 | C12 | C11 | 0.4° | 0.0° |
| N5 | C13 | C12 | C14 | 179.8° | 180.0° |
| N5 | C13 | C12 | H12 | 179.6° | 180.0° |
| N5 | C13 | C14 | H14 | 0.0° | 90.0° |
| N5 | C13 | C14 | H14A | 120.0° | 30.0° |
| N5 | C13 | C14 | H14B | 120.0° | 150.0° |
| F23 | C8 | F22 | C9 | 123.6° | 119.9° |
| F23 | C8 | F22 | F24 | 114.0° | 120.1° |
| F23 | C8 | C9 | F24 | 122.0° | 120.0° |
| F23 | C8 | C9 | C10 | 129.2° | 150.3° |
| F22 | C8 | C9 | F24 | 119.5° | 120.0° |
| F22 | C8 | C9 | C10 | 10.7° | 30.3° |
| C8 | C9 | C10 | H10 | 0.8° | 0.0° |
| F24 | C8 | C9 | C10 | 108.8° | 89.7° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 179.4° | 179.9° |
| C12 | C13 | C14 | H14 | 179.8° | 90.0° |
| C12 | C13 | C14 | H14A | 60.2° | 150.0° |
| C12 | C13 | C14 | H14B | 59.9° | 30.0° |
| H12 | C12 | C13 | C14 | 0.6° | 0.1° |
| C13 | C14 | H14 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14B | 120.0° | 119.9° |
| C13 | C14 | H14A | H14B | 120.0° | 119.9° |
| H14 | C14 | H14A | H14B | 120.0° | 120.1° |
