E1Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | N1 | sing | 1.42Å | 1.38Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O2 | C13 | doub | 1.22Å | 1.22Å | |
| O3 | C7 | doub | 1.21Å | 1.24Å | |
| N1 | C13 | sing | 1.35Å | 1.32Å | |
| N2 | C4 | sing | 1.39Å | 1.41Å | |
| N2 | C17 | sing | 1.47Å | 1.47Å | |
| N2 | C16 | sing | 1.46Å | 1.46Å | |
| C1 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C1 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C1 | C7 | sing | 1.47Å | 1.51Å | |
| C2 | C3 | doub | 1.36Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.37Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | C14 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | doub | 1.33Å | 1.34Å | |
| C10 | C11 | sing | 1.46Å | 1.47Å | |
| C10 | C15 | sing | 1.51Å | 1.51Å | |
| C11 | C12 | doub | 1.35Å | 1.34Å | |
| C12 | C13 | sing | 1.46Å | 1.47Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | O1 | HO1 | 109.5° | 114.0° |
| O1 | N1 | C13 | 119.7° | 120.0° |
| O1 | N1 | H1 | 120.1° | 120.0° |
| O2 | C13 | N1 | 120.1° | 120.0° |
| O2 | C13 | C12 | 124.3° | 120.0° |
| O3 | C7 | C1 | 119.4° | 120.0° |
| O3 | C7 | C8 | 119.5° | 120.0° |
| N1 | C13 | C12 | 115.6° | 120.0° |
| C13 | N1 | H1 | 120.1° | 120.0° |
| C4 | N2 | C17 | 121.3° | 120.0° |
| C4 | N2 | C16 | 122.1° | 120.0° |
| N2 | C4 | C3 | 120.3° | 119.9° |
| N2 | C4 | C5 | 121.1° | 119.9° |
| C17 | N2 | C16 | 116.6° | 120.0° |
| N2 | C17 | H171 | 109.5° | 109.4° |
| N2 | C17 | H172 | 109.5° | 109.4° |
| N2 | C17 | H173 | 109.4° | 109.5° |
| N2 | C16 | H161 | 109.5° | 109.5° |
| N2 | C16 | H162 | 109.5° | 109.5° |
| N2 | C16 | H163 | 109.5° | 109.4° |
| C2 | C1 | C6 | 118.4° | 119.8° |
| C2 | C1 | C7 | 119.2° | 120.1° |
| C1 | C2 | C3 | 121.8° | 119.9° |
| C1 | C2 | H2 | 119.1° | 120.0° |
| C6 | C1 | C7 | 122.4° | 120.1° |
| C1 | C6 | C5 | 120.3° | 119.9° |
| C1 | C6 | H6 | 119.8° | 120.1° |
| C1 | C7 | C8 | 121.0° | 120.0° |
| C2 | C3 | C4 | 119.7° | 120.1° |
| C3 | C2 | H2 | 119.1° | 120.1° |
| C2 | C3 | H3 | 120.2° | 120.0° |
| C3 | C4 | C5 | 118.6° | 120.2° |
| C4 | C3 | H3 | 120.1° | 119.9° |
| C4 | C5 | C6 | 121.2° | 120.1° |
| C4 | C5 | H5 | 119.4° | 119.9° |
| C5 | C6 | H6 | 119.8° | 120.0° |
| C6 | C5 | H5 | 119.4° | 120.0° |
| C7 | C8 | C9 | 111.0° | 109.5° |
| C7 | C8 | C14 | 110.7° | 109.5° |
| C7 | C8 | H8 | 108.6° | 109.5° |
| C9 | C8 | C14 | 109.6° | 109.5° |
| C8 | C9 | C10 | 127.3° | 120.0° |
| C9 | C8 | H8 | 108.5° | 109.4° |
| C8 | C9 | H9 | 116.4° | 120.0° |
| C14 | C8 | H8 | 108.4° | 109.5° |
| C8 | C14 | H141 | 109.5° | 109.5° |
| C8 | C14 | H142 | 109.5° | 109.5° |
| C8 | C14 | H143 | 109.5° | 109.5° |
| C9 | C10 | C11 | 116.0° | 120.0° |
| C9 | C10 | C15 | 124.0° | 120.0° |
| C10 | C9 | H9 | 116.4° | 120.0° |
| C11 | C10 | C15 | 119.9° | 120.0° |
| C10 | C11 | C12 | 121.7° | 120.0° |
| C10 | C11 | H11 | 119.1° | 120.0° |
| C10 | C15 | H151 | 109.5° | 109.5° |
| C10 | C15 | H152 | 109.5° | 109.5° |
| C10 | C15 | H153 | 109.5° | 109.5° |
| C11 | C12 | C13 | 120.8° | 120.0° |
| C12 | C11 | H11 | 119.1° | 120.0° |
| C11 | C12 | H12 | 119.6° | 120.0° |
| C13 | C12 | H12 | 119.6° | 120.0° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H171 | C17 | H173 | 109.5° | 109.5° |
| H172 | C17 | H173 | 109.4° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H161 | C16 | H163 | 109.5° | 109.5° |
| H162 | C16 | H163 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.4° |
| H141 | C14 | H143 | 109.4° | 109.4° |
| H142 | C14 | H143 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H151 | C15 | H153 | 109.4° | 109.4° |
| H152 | C15 | H153 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | N1 | C13 | O2 | 30.2° | 0.0° |
| O1 | N1 | C13 | H1 | 180.0° | 180.0° |
| O1 | N1 | C13 | C12 | 148.0° | 180.0° |
| HO1 | O1 | N1 | C13 | 14.0° | 180.0° |
| HO1 | O1 | N1 | H1 | 166.0° | 0.0° |
| O2 | C13 | N1 | C12 | 178.3° | 180.0° |
| O2 | C13 | C12 | C11 | 26.9° | 0.0° |
| O2 | C13 | N1 | H1 | 149.8° | 180.0° |
| O2 | C13 | C12 | H12 | 153.1° | 180.0° |
| O3 | C7 | C1 | C2 | 2.1° | 0.0° |
| O3 | C7 | C1 | C6 | 178.2° | 179.8° |
| O3 | C7 | C1 | C8 | 179.5° | 180.0° |
| O3 | C7 | C8 | C9 | 50.2° | 30.0° |
| O3 | C7 | C8 | C14 | 71.8° | 90.0° |
| O3 | C7 | C8 | H8 | 169.3° | 150.0° |
| N1 | C13 | C12 | C11 | 151.3° | 180.0° |
| N1 | C13 | C12 | H12 | 28.7° | 0.0° |
| C4 | N2 | C17 | C16 | 177.9° | 180.0° |
| N2 | C4 | C3 | C2 | 178.1° | 180.0° |
| N2 | C4 | C3 | C5 | 179.1° | 180.0° |
| N2 | C4 | C5 | C6 | 178.8° | 180.0° |
| C4 | N2 | C17 | H171 | 180.0° | 90.0° |
| C4 | N2 | C17 | H172 | 60.0° | 150.0° |
| C4 | N2 | C17 | H173 | 60.0° | 30.0° |
| C4 | N2 | C16 | H161 | 180.0° | 5.1° |
| C4 | N2 | C16 | H162 | 60.0° | 125.1° |
| C4 | N2 | C16 | H163 | 60.0° | 114.9° |
| N2 | C4 | C3 | H3 | 1.9° | 0.0° |
| N2 | C4 | C5 | H5 | 1.2° | 0.1° |
| C17 | N2 | C4 | C3 | 3.2° | 5.0° |
| C17 | N2 | C4 | C5 | 175.9° | 175.0° |
| N2 | C17 | H171 | H172 | 120.0° | 119.9° |
| N2 | C17 | H171 | H173 | 120.0° | 120.0° |
| N2 | C17 | H172 | H173 | 119.9° | 120.0° |
| C17 | N2 | C16 | H161 | 2.1° | 174.9° |
| C17 | N2 | C16 | H162 | 117.9° | 54.8° |
| C17 | N2 | C16 | H163 | 122.1° | 65.1° |
| C16 | N2 | C4 | C3 | 179.0° | 175.1° |
| C16 | N2 | C4 | C5 | 1.9° | 5.0° |
| C16 | N2 | C17 | H171 | 2.1° | 90.0° |
| C16 | N2 | C17 | H172 | 122.1° | 30.0° |
| C16 | N2 | C17 | H173 | 117.9° | 150.0° |
| N2 | C16 | H161 | H162 | 120.0° | 120.0° |
| N2 | C16 | H161 | H163 | 120.0° | 120.0° |
| N2 | C16 | H162 | H163 | 120.0° | 119.9° |
| C2 | C1 | C6 | C7 | 179.7° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.6° | 0.0° |
| C2 | C1 | C6 | C5 | 1.2° | 0.1° |
| C2 | C1 | C7 | C8 | 177.4° | 180.0° |
| C2 | C1 | C6 | H6 | 178.8° | 179.9° |
| C1 | C2 | C3 | H3 | 179.4° | 180.0° |
| C6 | C1 | C2 | C3 | 0.6° | 0.1° |
| C1 | C6 | C5 | C4 | 0.8° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C6 | C1 | C7 | C8 | 2.3° | 0.2° |
| C6 | C1 | C2 | H2 | 179.4° | 179.9° |
| C1 | C6 | C5 | H5 | 179.2° | 179.9° |
| C7 | C1 | C2 | C3 | 179.7° | 179.8° |
| C7 | C1 | C6 | C5 | 179.0° | 179.8° |
| C1 | C7 | C8 | C9 | 129.3° | 150.0° |
| C1 | C7 | C8 | C14 | 108.7° | 90.0° |
| C7 | C1 | C2 | H2 | 0.3° | 0.2° |
| C7 | C1 | C6 | H6 | 0.9° | 0.1° |
| C1 | C7 | C8 | H8 | 10.2° | 30.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.1° | 0.0° |
| C3 | C4 | C5 | C6 | 0.4° | 0.0° |
| C4 | C3 | C2 | H2 | 179.4° | 180.0° |
| C3 | C4 | C5 | H5 | 179.6° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.3° | 179.9° |
| C5 | C4 | C3 | H3 | 179.0° | 179.9° |
| C7 | C8 | C9 | C14 | 122.6° | 120.0° |
| C7 | C8 | C9 | H8 | 119.2° | 120.0° |
| C7 | C8 | C14 | H8 | 119.0° | 120.0° |
| C7 | C8 | C9 | C10 | 117.0° | 119.8° |
| C7 | C8 | C9 | H9 | 63.0° | 60.2° |
| C7 | C8 | C14 | H141 | 180.0° | 180.0° |
| C7 | C8 | C14 | H142 | 60.0° | 60.0° |
| C7 | C8 | C14 | H143 | 60.0° | 60.0° |
| C9 | C8 | C14 | H8 | 118.3° | 120.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 179.9° | 174.2° |
| C8 | C9 | C10 | C15 | 2.8° | 5.9° |
| C9 | C8 | C14 | H141 | 57.2° | 60.0° |
| C9 | C8 | C14 | H142 | 177.3° | 180.0° |
| C9 | C8 | C14 | H143 | 62.7° | 60.0° |
| C14 | C8 | C9 | C10 | 120.4° | 120.2° |
| C14 | C8 | C9 | H9 | 59.5° | 59.8° |
| C8 | C14 | H141 | H142 | 120.0° | 120.0° |
| C8 | C14 | H141 | H143 | 120.0° | 120.0° |
| C8 | C14 | H142 | H143 | 120.0° | 120.1° |
| C9 | C10 | C11 | C15 | 177.2° | 179.9° |
| C9 | C10 | C11 | C12 | 179.5° | 180.0° |
| C10 | C9 | C8 | H8 | 2.2° | 0.2° |
| C9 | C10 | C11 | H11 | 0.5° | 0.0° |
| C9 | C10 | C15 | H151 | 180.0° | 84.5° |
| C9 | C10 | C15 | H152 | 60.0° | 155.5° |
| C9 | C10 | C15 | H153 | 60.0° | 35.5° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 178.4° | 180.0° |
| C11 | C10 | C9 | H9 | 0.1° | 5.8° |
| C11 | C10 | C15 | H151 | 3.1° | 95.6° |
| C11 | C10 | C15 | H152 | 116.9° | 24.5° |
| C11 | C10 | C15 | H153 | 123.1° | 144.5° |
| C10 | C11 | C12 | H12 | 1.6° | 0.0° |
| C15 | C10 | C11 | C12 | 3.3° | 0.0° |
| C15 | C10 | C9 | H9 | 177.2° | 174.1° |
| C15 | C10 | C11 | H11 | 176.7° | 180.0° |
| C10 | C15 | H151 | H152 | 120.0° | 120.0° |
| C10 | C15 | H151 | H153 | 120.0° | 120.0° |
| C10 | C15 | H152 | H153 | 120.0° | 120.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C12 | C13 | N1 | H1 | 32.0° | 0.0° |
| C13 | C12 | C11 | H11 | 1.6° | 0.0° |
| H171 | C17 | H172 | H173 | 120.0° | 120.0° |
| H161 | C16 | H162 | H163 | 120.0° | 120.0° |
| H2 | C2 | C3 | H3 | 0.6° | 0.0° |
| H6 | C6 | C5 | H5 | 0.8° | 0.1° |
| H8 | C8 | C9 | H9 | 177.8° | 179.8° |
| H8 | C8 | C14 | H141 | 61.0° | 60.0° |
| H8 | C8 | C14 | H142 | 59.0° | 60.0° |
| H8 | C8 | C14 | H143 | 179.0° | 180.0° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
| H11 | C11 | C12 | H12 | 178.3° | NaN° |
| H151 | C15 | H152 | H153 | 120.0° | 120.0° |
