5Z5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | N3 | sing | 1.47Å | 1.50Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| N3 | C16 | sing | 1.35Å | 1.31Å | |
| N3 | H3 | sing | 0.97Å | 1.02Å | |
| C16 | O2 | doub | 1.22Å | 1.23Å | |
| C16 | C12 | sing | 1.47Å | 1.55Å | |
| C12 | C11 | sing | 1.41Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C11 | C14 | sing | 1.51Å | 1.57Å | |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C14 | H143 | sing | 1.09Å | 1.12Å | |
| C13 | C15 | sing | 1.51Å | 1.52Å | |
| C13 | N2 | sing | 1.34Å | 1.33Å | Aromatic |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C15 | H153 | sing | 1.09Å | 1.12Å | |
| N2 | C10 | sing | 1.38Å | 1.33Å | Aromatic |
| N2 | H2 | sing | 0.97Å | 1.02Å | |
| C10 | C9 | sing | 1.41Å | 1.40Å | |
| C9 | C7 | doub | 1.38Å | 1.41Å | |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C7 | C5 | sing | 1.48Å | 1.39Å | |
| C7 | C8 | sing | 1.47Å | 1.40Å | |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C1 | CL1 | sing | 1.74Å | 1.72Å | |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | HA | sing | 1.08Å | 1.10Å | |
| C3 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | HB | sing | 1.08Å | 1.10Å | |
| C6 | N1 | sing | 1.39Å | 1.33Å | |
| N1 | C8 | sing | 1.34Å | 1.33Å | |
| N1 | H1 | sing | 0.97Å | 1.02Å | |
| C8 | O1 | doub | 1.22Å | 1.22Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C17 | H171 | 121.8° | 109.4° |
| N3 | C17 | H172 | 107.8° | 109.4° |
| N3 | C17 | H173 | 109.5° | 109.5° |
| C17 | N3 | C16 | 121.8° | 120.0° |
| C17 | N3 | H3 | 119.1° | 120.0° |
| H171 | C17 | H172 | 107.8° | 109.5° |
| H171 | C17 | H173 | 121.9° | 109.5° |
| H172 | C17 | H173 | 24.8° | 109.5° |
| C16 | N3 | H3 | 119.1° | 120.0° |
| N3 | C16 | O2 | 121.3° | 119.9° |
| N3 | C16 | C12 | 117.4° | 120.0° |
| O2 | C16 | C12 | 121.3° | 120.0° |
| C16 | C12 | C11 | 129.2° | 126.4° |
| C16 | C12 | C13 | 124.7° | 126.4° |
| C11 | C12 | C13 | 106.1° | 107.2° |
| C12 | C11 | C14 | 124.8° | 126.6° |
| C12 | C11 | C10 | 106.9° | 106.8° |
| C12 | C13 | C15 | 126.6° | 125.7° |
| C12 | C13 | N2 | 109.6° | 108.7° |
| C14 | C11 | C10 | 128.4° | 126.6° |
| C11 | C14 | H141 | 124.8° | 109.5° |
| C11 | C14 | H142 | 106.8° | 109.5° |
| C11 | C14 | H143 | 106.8° | 109.4° |
| C11 | C10 | N2 | 107.2° | 108.0° |
| C11 | C10 | C9 | 123.1° | 126.0° |
| H141 | C14 | H142 | 106.8° | 109.5° |
| H141 | C14 | H143 | 106.8° | 109.5° |
| H142 | C14 | H143 | 102.8° | 109.5° |
| C15 | C13 | N2 | 123.8° | 125.6° |
| C13 | C15 | H151 | 126.6° | 109.5° |
| C13 | C15 | H152 | 106.2° | 109.5° |
| C13 | C15 | H153 | 106.2° | 109.4° |
| C13 | N2 | C10 | 110.3° | 109.3° |
| C13 | N2 | H2 | 124.9° | 125.3° |
| H151 | C15 | H152 | 106.2° | 109.5° |
| H151 | C15 | H153 | 106.2° | 109.5° |
| H152 | C15 | H153 | 103.3° | 109.5° |
| C10 | N2 | H2 | 124.8° | 125.4° |
| N2 | C10 | C9 | 129.7° | 126.0° |
| C10 | C9 | C7 | 126.0° | 120.1° |
| C10 | C9 | H9 | 117.0° | 120.0° |
| C7 | C9 | H9 | 117.0° | 119.9° |
| C9 | C7 | C5 | 122.8° | 127.5° |
| C9 | C7 | C8 | 132.2° | 127.4° |
| C5 | C7 | C8 | 105.0° | 105.1° |
| C7 | C5 | C4 | 133.1° | 133.3° |
| C7 | C5 | C6 | 107.4° | 106.4° |
| C7 | C8 | N1 | 109.8° | 108.0° |
| C7 | C8 | O1 | 128.6° | 126.0° |
| C4 | C5 | C6 | 119.5° | 120.3° |
| C5 | C4 | C1 | 119.7° | 119.8° |
| C5 | C4 | H4 | 120.2° | 120.1° |
| C5 | C6 | C3 | 120.1° | 119.1° |
| C5 | C6 | N1 | 108.4° | 109.1° |
| C1 | C4 | H4 | 120.2° | 120.1° |
| C4 | C1 | CL1 | 118.5° | 120.0° |
| C4 | C1 | C2 | 121.2° | 120.0° |
| CL1 | C1 | C2 | 120.3° | 120.0° |
| C1 | C2 | C3 | 118.6° | 120.6° |
| C1 | C2 | HA | 120.7° | 119.7° |
| C3 | C2 | HA | 120.7° | 119.7° |
| C2 | C3 | C6 | 120.9° | 120.1° |
| C2 | C3 | HB | 119.6° | 120.0° |
| C6 | C3 | HB | 119.6° | 119.9° |
| C3 | C6 | N1 | 131.5° | 131.7° |
| C6 | N1 | C8 | 109.4° | 111.4° |
| C6 | N1 | H1 | 125.3° | 124.3° |
| C8 | N1 | H1 | 125.3° | 124.3° |
| N1 | C8 | O1 | 121.6° | 126.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C17 | H171 | H172 | 125.3° | 120.0° |
| N3 | C17 | H171 | H173 | 148.0° | 120.0° |
| N3 | C17 | H172 | H173 | 98.1° | 120.0° |
| C17 | N3 | C16 | H3 | 180.0° | 179.9° |
| C17 | N3 | C16 | O2 | 1.5° | 0.0° |
| C17 | N3 | C16 | C12 | 179.7° | 180.0° |
| H171 | C17 | H172 | H173 | 128.7° | 120.1° |
| H171 | C17 | N3 | C16 | 180.0° | 60.0° |
| H171 | C17 | N3 | H3 | 0.0° | 120.0° |
| H172 | C17 | N3 | C16 | 54.7° | 60.0° |
| H172 | C17 | N3 | H3 | 125.3° | 120.0° |
| H173 | C17 | N3 | C16 | 28.5° | 180.0° |
| H173 | C17 | N3 | H3 | 151.4° | 0.0° |
| N3 | C16 | O2 | C12 | 178.1° | 180.0° |
| N3 | C16 | C12 | C11 | 2.8° | 89.7° |
| N3 | C16 | C12 | C13 | 179.4° | 90.0° |
| H3 | N3 | C16 | O2 | 178.5° | 180.0° |
| H3 | N3 | C16 | C12 | 0.3° | 0.0° |
| O2 | C16 | C12 | C11 | 179.0° | 90.3° |
| O2 | C16 | C12 | C13 | 1.2° | 90.0° |
| C16 | C12 | C11 | C13 | 178.2° | 179.7° |
| C16 | C12 | C11 | C14 | 0.9° | 0.3° |
| C16 | C12 | C11 | C10 | 178.6° | 179.8° |
| C16 | C12 | C13 | C15 | 1.0° | 0.1° |
| C16 | C12 | C13 | N2 | 177.8° | 180.0° |
| C12 | C11 | C14 | C10 | 179.4° | 179.4° |
| C12 | C11 | C14 | H141 | 180.0° | 90.6° |
| C12 | C11 | C14 | H142 | 54.7° | 29.4° |
| C12 | C11 | C14 | H143 | 54.7° | 149.4° |
| C11 | C12 | C13 | C15 | 179.2° | 179.7° |
| C11 | C12 | C13 | N2 | 0.4° | 0.3° |
| C12 | C11 | C10 | N2 | 1.1° | 0.5° |
| C12 | C11 | C10 | C9 | 178.9° | 179.9° |
| C13 | C12 | C11 | C14 | 179.1° | 180.0° |
| C13 | C12 | C11 | C10 | 0.4° | 0.5° |
| C12 | C13 | C15 | N2 | 178.6° | 179.9° |
| C12 | C13 | C15 | H151 | 180.0° | 89.9° |
| C12 | C13 | C15 | H152 | 54.8° | 150.0° |
| C12 | C13 | C15 | H153 | 54.7° | 30.0° |
| C12 | C13 | N2 | C10 | 1.2° | 0.0° |
| C12 | C13 | N2 | H2 | 178.8° | 180.0° |
| C11 | C14 | H141 | H142 | 125.3° | 120.0° |
| C11 | C14 | H141 | H143 | 125.2° | 119.9° |
| C11 | C14 | H142 | H143 | 112.2° | 120.0° |
| C14 | C11 | C10 | N2 | 178.4° | 180.0° |
| C14 | C11 | C10 | C9 | 0.6° | 0.4° |
| C10 | C11 | C14 | H141 | 0.6° | 90.0° |
| C10 | C11 | C14 | H142 | 125.8° | 150.0° |
| C10 | C11 | C14 | H143 | 124.7° | 30.0° |
| C11 | C10 | N2 | C13 | 1.5° | 0.3° |
| C11 | C10 | N2 | C9 | 177.6° | 179.7° |
| C11 | C10 | N2 | H2 | 178.6° | 179.7° |
| C11 | C10 | C9 | C7 | 178.9° | 146.6° |
| C11 | C10 | C9 | H9 | 1.1° | 33.4° |
| H141 | C14 | H142 | H143 | 112.3° | 120.0° |
| C13 | C15 | H151 | H152 | 125.2° | 120.0° |
| C13 | C15 | H151 | H153 | 125.3° | 119.9° |
| C13 | C15 | H152 | H153 | 111.5° | 119.9° |
| C15 | C13 | N2 | C10 | 180.0° | 180.0° |
| C15 | C13 | N2 | H2 | 0.0° | 0.0° |
| N2 | C13 | C15 | H151 | 1.4° | 90.0° |
| N2 | C13 | C15 | H152 | 123.9° | 30.1° |
| N2 | C13 | C15 | H153 | 126.7° | 150.0° |
| C13 | N2 | C10 | H2 | 180.0° | 180.0° |
| C13 | N2 | C10 | C9 | 179.1° | 180.0° |
| H151 | C15 | H152 | H153 | 111.6° | 120.0° |
| N2 | C10 | C9 | C7 | 3.8° | 33.8° |
| N2 | C10 | C9 | H9 | 176.1° | 146.2° |
| H2 | N2 | C10 | C9 | 0.9° | 0.0° |
| C10 | C9 | C7 | H9 | 180.0° | 180.0° |
| C10 | C9 | C7 | C5 | 177.1° | 172.4° |
| C10 | C9 | C7 | C8 | 2.4° | 7.2° |
| C9 | C7 | C5 | C8 | 179.6° | 179.7° |
| C9 | C7 | C5 | C4 | 0.3° | 0.8° |
| C9 | C7 | C5 | C6 | 178.8° | 179.8° |
| C9 | C7 | C8 | N1 | 178.4° | 180.0° |
| C9 | C7 | C8 | O1 | 1.3° | 0.0° |
| H9 | C9 | C7 | C5 | 3.0° | 7.6° |
| H9 | C9 | C7 | C8 | 177.6° | 172.7° |
| C7 | C5 | C4 | C6 | 179.0° | 179.0° |
| C7 | C5 | C4 | C1 | 179.2° | 179.6° |
| C7 | C5 | C4 | H4 | 0.8° | 0.7° |
| C7 | C5 | C6 | C3 | 179.5° | 179.8° |
| C7 | C5 | C6 | N1 | 0.1° | 0.5° |
| C5 | C7 | C8 | N1 | 1.1° | 0.3° |
| C5 | C7 | C8 | O1 | 179.1° | 179.7° |
| C8 | C7 | C5 | C4 | 179.9° | 179.5° |
| C8 | C7 | C5 | C6 | 0.8° | 0.4° |
| C7 | C8 | N1 | C6 | 1.1° | 0.0° |
| C7 | C8 | N1 | O1 | 179.7° | 180.0° |
| C7 | C8 | N1 | H1 | 178.9° | 179.9° |
| C5 | C4 | C1 | H4 | 180.0° | 179.7° |
| C5 | C4 | C1 | CL1 | 179.7° | 179.7° |
| C5 | C4 | C1 | C2 | 0.3° | 0.3° |
| C4 | C5 | C6 | C3 | 0.3° | 0.6° |
| C4 | C5 | C6 | N1 | 179.4° | 179.7° |
| C6 | C5 | C4 | C1 | 0.2° | 0.6° |
| C6 | C5 | C4 | H4 | 179.8° | 179.7° |
| C5 | C6 | C3 | C2 | 0.1° | 0.3° |
| C5 | C6 | C3 | N1 | 179.6° | 179.7° |
| C5 | C6 | C3 | HB | 179.9° | 179.7° |
| C5 | C6 | N1 | C8 | 0.6° | 0.3° |
| C5 | C6 | N1 | H1 | 179.4° | 179.8° |
| C4 | C1 | CL1 | C2 | 179.4° | 180.0° |
| C4 | C1 | C2 | C3 | 0.7° | 0.0° |
| C4 | C1 | C2 | HA | 179.3° | 179.9° |
| H4 | C4 | C1 | CL1 | 0.3° | 0.0° |
| H4 | C4 | C1 | C2 | 179.7° | 180.0° |
| CL1 | C1 | C2 | C3 | 179.9° | 180.0° |
| CL1 | C1 | C2 | HA | 0.1° | 0.1° |
| C1 | C2 | C3 | HA | 180.0° | 179.9° |
| C1 | C2 | C3 | C6 | 0.6° | 0.0° |
| C1 | C2 | C3 | HB | 179.4° | 180.0° |
| C2 | C3 | C6 | HB | 180.0° | 180.0° |
| C2 | C3 | C6 | N1 | 179.7° | 180.0° |
| HA | C2 | C3 | C6 | 179.4° | 179.9° |
| HA | C2 | C3 | HB | 0.6° | 0.1° |
| C3 | C6 | N1 | C8 | 179.8° | 180.0° |
| C3 | C6 | N1 | H1 | 0.2° | 0.1° |
| HB | C3 | C6 | N1 | 0.3° | 0.0° |
| C6 | N1 | C8 | H1 | 180.0° | 179.9° |
| C6 | N1 | C8 | O1 | 179.2° | 180.0° |
| H1 | N1 | C8 | O1 | 0.9° | 0.1° |
